#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs h ASP 1005N 0.00 0.00 -4.36 -3.46 3.32 -0.80 -3.47 116.42 107.65 1rxs h ASP 1005Ca 0.00 -0.13 -0.47 0.00 0.02 0.00 0.00 57.03 56.46 1rxs h ASP 1005Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 1rxs h ASP 1005CO 0.00 0.06 -0.80 0.68 -1.72 0.00 0.00 179.24 177.47 1rxs s VAL 1006N -3.20 1.29 0.20 -1.35 -7.23 -1.23 -5.06 120.40 103.83 1rxs s VAL 1006Ca 0.06 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1rxs s VAL 1006Cb 0.12 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1rxs s VAL 1006CO 0.71 -0.10 1.53 0.15 -0.31 0.00 0.00 175.10 177.08 1rxs h PHE 1007N 4.42 0.66 0.00 2.82 3.57 -1.94 -3.34 116.94 123.13 1rxs h PHE 1007Ca -0.42 -0.22 -0.45 0.00 3.53 0.00 0.00 57.97 60.41 1rxs h PHE 1007Cb 1.18 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1rxs h PHE 1007CO 0.60 0.94 -2.53 0.72 -2.23 0.00 0.00 178.31 175.81 1rxs n HIS 1008N -3.97 0.00 0.29 0.41 8.25 -1.26 -4.64 115.22 114.31 1rxs n HIS 1008Ca -0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.61 1rxs n HIS 1008Cb 0.59 -0.99 0.84 0.00 1.12 0.00 0.00 29.99 31.54 1rxs n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 1009N -0.73 0.00 -1.85 2.41 3.38 -1.93 -3.45 115.31 113.14 1rxs h LEU 1009Ca -0.67 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.92 1rxs h LEU 1009Cb 1.69 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.54 1rxs h LEU 1009CO -0.34 0.04 -0.82 0.61 0.09 0.00 0.00 178.44 178.02 1rxs n GLY 1010N -0.43 -0.40 3.36 0.83 0.00 -1.25 -4.63 105.19 102.66 1rxs n GLY 1010Ca -0.01 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1011N -6.48 2.53 0.23 0.99 1.43 -1.26 -4.77 118.68 111.35 1rxs s LEU 1011Ca 0.05 -1.07 0.12 0.00 -1.03 0.00 0.00 54.13 52.21 1rxs s LEU 1011Cb -0.01 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 1rxs s LEU 1011CO 0.78 -0.22 -0.22 0.42 0.23 0.00 0.00 176.35 177.34 1rxs s THR 1012N -3.00 2.44 0.32 5.49 -4.23 -1.26 -0.00 115.64 115.39 1rxs s THR 1012Ca 0.24 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1rxs s THR 1012Cb 0.01 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.94 1rxs s THR 1012CO 0.08 -0.24 1.82 0.50 -0.54 0.00 0.00 174.62 176.24 1rxs h LYS 1013N 2.77 0.75 -0.64 3.99 3.64 -1.96 -1.26 116.57 123.87 1rxs h LYS 1013Ca -0.44 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1rxs h LYS 1013Cb 1.23 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1rxs h LYS 1013CO 0.53 0.49 0.36 -0.97 -2.27 0.00 0.00 179.45 177.60 1rxs h ASN 1014N 0.77 0.56 -0.82 4.20 -0.73 -1.95 -2.70 115.58 114.91 1rxs h ASN 1014Ca 0.51 0.02 0.24 0.00 1.87 0.00 0.00 56.30 58.94 1rxs h ASN 1014Cb 0.78 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 1rxs h ASN 1014CO -0.28 0.37 0.61 0.44 -0.37 0.00 0.00 177.43 178.20 1rxs h ASP 1015N 0.69 0.00 1.72 1.15 3.32 -1.63 -1.70 116.42 119.97 1rxs h ASP 1015Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1rxs h ASP 1015Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1rxs h ASP 1015CO -0.15 0.00 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.01 1rxs h LEU 1016N 0.00 0.00 -1.39 1.55 4.07 -1.55 -3.48 115.31 114.51 1rxs h LEU 1016Ca 0.39 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.84 1rxs h LEU 1016Cb 1.61 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.25 1rxs h LEU 1016CO -0.00 0.03 -0.83 0.00 -1.08 0.00 0.00 178.44 176.55 1rxs n GLN 1017N -3.00 -3.93 -1.00 1.13 6.02 -0.64 -1.47 117.38 114.49 1rxs n GLN 1017Ca 0.03 0.46 -0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1rxs n GLN 1017Cb 0.55 -5.01 -0.00 0.00 1.02 0.00 0.00 30.24 26.79 1rxs n GLN 1017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1018N -1.68 0.49 3.73 1.08 0.00 -1.26 -4.76 105.19 102.79 1rxs n GLY 1018Ca -0.09 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1rxs n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 1019N 1.00 1.64 -0.52 4.61 0.00 -0.54 -4.93 120.51 121.76 1rxs n ALA 1019Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1rxs n ALA 1019Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1rxs n ALA 1019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 1020N -0.32 0.11 -4.87 0.00 -2.24 -1.26 -4.28 114.28 101.43 1rxs n THR 1020Ca 0.06 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1rxs n THR 1020Cb 0.41 1.34 -0.16 0.00 -2.10 0.00 0.00 70.33 69.83 1rxs n THR 1020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 1021N -0.11 1.97 -0.02 3.22 0.20 -1.26 0.03 118.68 122.70 1rxs s LEU 1021Ca 0.00 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.51 1rxs s LEU 1021Cb 0.00 -0.98 -0.00 0.00 -0.43 0.00 0.00 46.19 44.78 1rxs s LEU 1021CO 0.00 0.18 -0.13 0.00 -0.29 0.00 0.00 176.35 176.12 1rxs s ALA 1022N -0.14 1.12 -0.25 5.97 0.00 0.17 -1.85 121.76 126.78 1rxs s ALA 1022Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1rxs s ALA 1022Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1rxs s ALA 1022CO 0.01 0.23 0.40 0.42 0.00 0.00 0.00 175.76 176.82 1rxs s ILE 1023N -0.09 5.17 -0.56 0.00 1.01 0.80 -0.69 121.20 126.83 1rxs s ILE 1023Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.33 1rxs s ILE 1023Cb -0.07 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 38.81 1rxs s ILE 1023CO 0.00 0.17 0.33 0.68 0.00 0.00 0.00 174.94 176.12 1rxs s VAL 1024N 1.90 2.96 0.87 2.92 -7.23 0.12 -1.57 120.40 120.37 1rxs s VAL 1024Ca 0.17 -3.26 -0.13 0.00 -1.81 0.00 0.00 61.98 56.96 1rxs s VAL 1024Cb -0.15 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 33.90 1rxs s VAL 1024CO 0.09 -0.83 1.17 -2.16 -0.31 0.00 0.00 175.10 173.06 1rxs s PRO 1025N -0.28 1.44 -0.05 4.82 0.04 -1.22 -3.44 135.00 136.30 1rxs s PRO 1025Ca 0.17 0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.38 1rxs s PRO 1025Cb -0.23 -1.89 -0.25 0.00 0.04 0.00 0.00 34.50 32.17 1rxs s PRO 1025CO -0.02 -1.96 0.62 0.78 0.04 0.00 0.00 177.00 176.47 1rxs h GLY 1026N -1.32 0.15 -7.65 0.56 0.00 -1.84 -0.13 103.07 92.84 1rxs h GLY 1026Ca -0.48 -0.38 -0.64 0.00 0.00 0.00 0.00 47.33 45.83 1rxs h GLY 1026CO 0.61 0.33 -0.40 -0.35 0.00 0.00 0.00 176.54 176.73 1rxs s ASP 1027N -6.57 6.11 0.38 0.19 3.68 -1.26 -1.00 116.67 118.21 1rxs s ASP 1027Ca -0.11 0.00 0.18 0.00 2.13 0.00 0.00 52.55 54.75 1rxs s ASP 1027Cb 0.07 -2.16 1.09 0.00 -1.45 0.00 0.00 42.92 40.48 1rxs s ASP 1027CO 0.81 -0.15 1.75 1.55 0.13 0.00 0.00 175.17 179.26 1rxs h PRO 1028N 8.34 0.39 0.00 4.34 0.13 -1.90 -0.80 132.00 142.50 1rxs h PRO 1028Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rxs h PRO 1028Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rxs h PRO 1028CO 0.60 0.26 0.00 -0.44 -0.23 0.00 0.00 178.00 178.19 1rxs h ASP 1029N 0.40 0.00 0.73 1.44 3.32 -1.95 -2.25 116.42 118.10 1rxs h ASP 1029Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 1rxs h ASP 1029Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1rxs h ASP 1029CO -0.35 0.00 -0.53 -1.14 -1.72 0.00 0.00 179.24 175.50 1rxs n ARG 1030N -2.72 0.15 0.08 3.56 0.63 -0.31 -4.44 116.66 113.61 1rxs n ARG 1030Ca 0.01 0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.86 1rxs n ARG 1030Cb 0.28 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.52 1rxs n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 1031N 0.00 0.97 -0.89 5.15 2.07 -1.41 -2.38 116.25 119.75 1rxs h VAL 1031Ca 0.00 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1rxs h VAL 1031Cb 0.63 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1rxs h VAL 1031CO 0.00 0.10 0.58 -0.08 0.02 0.00 0.00 177.57 178.20 1rxs h GLU 1032N -0.38 1.12 -0.52 1.57 4.81 -1.78 -1.01 114.58 118.39 1rxs h GLU 1032Ca -0.02 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1rxs h GLU 1032Cb 0.30 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1rxs h GLU 1032CO 0.03 0.74 0.25 0.87 -0.73 0.00 0.00 179.01 180.17 1rxs h LYS 1033N 1.15 0.47 -0.24 1.92 1.57 -1.74 -1.07 116.57 118.64 1rxs h LYS 1033Ca 0.35 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1rxs h LYS 1033Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1rxs h LYS 1033CO -0.10 0.31 -0.06 0.82 -0.57 0.00 0.00 179.45 179.85 1rxs h ILE 1034N 0.48 1.28 -0.68 1.86 2.04 -0.95 -2.92 117.51 118.62 1rxs h ILE 1034Ca 0.24 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1rxs h ILE 1034Cb 0.17 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1rxs h ILE 1034CO -0.18 0.33 0.45 0.00 0.00 0.00 0.00 178.15 178.75 1rxs h ALA 1035N 0.76 1.58 0.00 1.87 0.00 -0.93 -1.92 119.26 120.63 1rxs h ALA 1035Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rxs h ALA 1035Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rxs h ALA 1035CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1rxs h ALA 1036N 1.59 1.00 -0.00 0.00 0.00 -1.00 -0.18 119.26 120.67 1rxs h ALA 1036Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rxs h ALA 1036Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rxs h ALA 1036CO -0.07 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.45 1rxs n LEU 1037N -2.61 0.04 0.00 0.00 4.32 -0.72 -4.86 117.00 113.17 1rxs n LEU 1037Ca -0.00 0.24 -0.23 0.00 -0.02 0.00 0.00 56.01 56.00 1rxs n LEU 1037Cb 0.16 -0.25 -0.02 0.00 -1.62 0.00 0.00 43.42 41.69 1rxs n LEU 1037CO 0.19 0.01 -0.05 0.23 -1.22 0.00 0.00 177.39 176.54 1rxs n MET 1038N -1.23 0.93 -3.31 3.23 2.81 -0.08 -5.13 117.12 114.34 1rxs n MET 1038Ca 0.15 -2.78 -0.33 0.00 -1.81 0.00 0.00 57.70 52.93 1rxs n MET 1038Cb 0.23 0.50 -0.06 0.00 -0.71 0.00 0.00 33.22 33.18 1rxs n MET 1038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 1039N -3.38 6.75 -1.29 7.83 -0.00 -0.18 -4.53 116.67 121.87 1rxs s ASP 1039Ca 0.14 1.09 -0.04 0.00 -0.00 0.00 0.00 52.55 53.74 1rxs s ASP 1039Cb -0.01 -2.29 -0.01 0.00 -0.00 0.00 0.00 42.92 40.61 1rxs s ASP 1039CO 0.09 -0.04 0.65 0.29 -0.00 0.00 0.00 175.17 176.15 1rxs n LYS 1040N 0.15 -3.59 -2.23 8.23 5.02 -1.26 -0.30 118.16 124.18 1rxs n LYS 1040Ca -0.01 0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 1rxs n LYS 1040Cb 0.52 -4.82 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 1rxs n LYS 1040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxs s PRO 1041N -6.06 4.35 -0.03 1.97 0.04 -1.26 -4.38 135.00 129.63 1rxs s PRO 1041Ca 0.12 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1rxs s PRO 1041Cb -0.04 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1rxs s PRO 1041CO 0.84 -0.37 -0.03 0.08 0.04 0.00 0.00 177.00 177.56 1rxs s VAL 1042N 0.94 0.39 0.07 -0.36 1.01 0.45 -4.99 120.40 117.90 1rxs s VAL 1042Ca 0.62 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1rxs s VAL 1042Cb -0.35 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.53 1rxs s VAL 1042CO 0.31 0.18 1.40 -0.75 0.00 0.00 0.00 175.10 176.25 1rxs s LYS 1043N 0.83 4.30 -0.21 2.72 2.20 -1.26 -0.90 119.74 127.43 1rxs s LYS 1043Ca -0.10 2.03 -0.16 0.00 -0.36 0.00 0.00 55.97 57.38 1rxs s LYS 1043Cb -0.13 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 1rxs s LYS 1043CO -0.00 -0.50 -0.16 1.28 -0.36 0.00 0.00 175.35 175.61 1rxs n LEU 1044N 4.60 1.89 -3.64 5.43 4.77 0.72 -4.90 117.00 125.86 1rxs n LEU 1044Ca 0.12 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1rxs n LEU 1044Cb 0.43 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1044CO 0.59 0.07 0.40 0.00 -1.33 0.00 0.00 177.39 177.12 1rxs s ALA 1045N -2.61 -1.33 -0.27 -1.18 0.00 -1.01 -5.00 121.76 110.36 1rxs s ALA 1045Ca -0.29 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1rxs s ALA 1045Cb 0.07 0.87 0.16 0.00 0.00 0.00 0.00 23.12 24.22 1rxs s ALA 1045CO 0.44 -0.87 0.46 0.45 0.00 0.00 0.00 175.76 176.24 1rxs s SER 1046N -2.84 -0.33 -0.03 0.00 0.15 -1.26 -0.65 113.70 108.75 1rxs s SER 1046Ca 0.06 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 1rxs s SER 1046Cb -0.03 1.47 0.02 0.00 -1.71 0.00 0.00 66.02 65.78 1rxs s SER 1046CO -0.04 -0.30 0.06 -1.00 1.20 0.00 0.00 173.24 173.17 1rxs s HIS 1047N 2.65 -0.04 0.00 3.44 3.76 -0.22 -4.99 115.29 119.88 1rxs s HIS 1047Ca 0.14 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1rxs s HIS 1047Cb -0.14 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1rxs s HIS 1047CO -0.21 -0.09 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1rxs n ARG 1048N 3.84 0.00 -0.02 1.40 1.74 -1.26 -0.05 116.66 122.31 1rxs n ARG 1048Ca -0.23 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.95 1rxs n ARG 1048Cb 0.53 0.00 0.53 0.00 -1.02 0.00 0.00 32.46 32.51 1rxs n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 1049N 14.00 1.18 -3.25 5.56 0.00 -1.26 -4.74 120.64 132.13 1rxs n GLU 1049Ca 0.00 -0.28 -0.46 0.00 0.00 0.00 0.00 57.16 56.43 1rxs n GLU 1049Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 31.44 30.06 1rxs n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 1050N -1.95 3.21 -0.17 -1.84 0.40 0.93 -4.04 117.98 114.51 1rxs s PHE 1050Ca 0.30 -1.24 -0.05 0.00 -0.60 0.00 0.00 56.93 55.34 1rxs s PHE 1050Cb 0.15 -3.87 -0.03 0.00 0.51 0.00 0.00 43.02 39.77 1rxs s PHE 1050CO 0.24 -1.10 0.01 0.99 0.70 0.00 0.00 175.22 176.05 1rxs s THR 1051N 1.83 4.29 -0.11 0.64 2.01 -1.26 -1.06 115.64 121.98 1rxs s THR 1051Ca 0.07 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1rxs s THR 1051Cb -0.27 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.34 1rxs s THR 1051CO 0.03 0.47 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.36 1rxs s THR 1052N 0.41 1.70 0.21 -0.82 2.01 0.18 -1.63 115.64 117.70 1rxs s THR 1052Ca -0.01 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1rxs s THR 1052Cb -0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1rxs s THR 1052CO 0.02 0.48 -0.15 0.26 -0.69 0.00 0.00 174.62 174.54 1rxs s TRP 1053N 0.78 2.47 0.04 4.92 0.52 0.90 -0.20 118.94 128.38 1rxs s TRP 1053Ca -0.10 -0.29 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1rxs s TRP 1053Cb -0.16 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1rxs s TRP 1053CO 0.01 0.56 -0.17 0.50 0.02 0.00 0.00 176.95 177.87 1rxs s ARG 1054N -3.00 2.12 0.00 4.98 3.52 -0.08 -0.97 118.95 125.52 1rxs s ARG 1054Ca 0.25 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1rxs s ARG 1054Cb -0.08 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1rxs s ARG 1054CO 0.14 0.54 0.00 0.00 -0.81 0.00 0.00 175.30 175.17 1rxs n ALA 1055N 1.50 0.00 -2.97 6.12 0.00 -0.07 -0.41 120.51 124.68 1rxs n ALA 1055Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1rxs n ALA 1055Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1rxs n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 1056N -1.41 0.22 -0.09 0.00 2.12 0.59 -0.48 118.70 119.64 1rxs s GLU 1056Ca 0.00 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 1rxs s GLU 1056Cb 0.00 -0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.18 1rxs s GLU 1056CO 0.00 0.02 0.03 -1.17 -0.54 0.00 0.00 175.26 173.61 1rxs s LEU 1057N 0.12 0.53 -1.50 2.70 2.96 0.43 -1.01 118.68 122.91 1rxs s LEU 1057Ca -0.01 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1rxs s LEU 1057Cb -0.03 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.32 1rxs s LEU 1057CO -0.00 -0.24 0.31 0.47 -1.32 0.00 0.00 176.35 175.56 1rxs n ASP 1058N 5.19 -0.16 0.00 3.68 8.00 -1.26 -1.00 116.55 130.99 1rxs n ASP 1058Ca -0.06 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1rxs n ASP 1058Cb 0.49 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.14 1rxs n ASP 1058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 1059N -2.12 0.25 3.54 0.44 0.00 -1.26 -5.00 105.19 101.04 1rxs n GLY 1059Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1rxs n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 1060N -1.02 3.00 0.32 1.61 1.02 -0.17 -5.08 119.74 119.41 1rxs s LYS 1060Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1rxs s LYS 1060Cb 0.00 -2.66 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 1rxs s LYS 1060CO 0.00 0.53 1.25 -1.25 -0.92 0.00 0.00 175.35 174.96 1rxs s PRO 1061N -0.44 4.43 -0.00 -1.68 0.04 -1.26 -0.43 135.00 135.66 1rxs s PRO 1061Ca 0.06 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1rxs s PRO 1061Cb -0.12 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1rxs s PRO 1061CO 0.02 -0.08 -0.01 0.08 0.04 0.00 0.00 177.00 177.05 1rxs s VAL 1062N -1.15 0.08 -0.05 -0.36 1.01 0.37 -4.41 120.40 115.89 1rxs s VAL 1062Ca 0.48 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1rxs s VAL 1062Cb -0.38 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1rxs s VAL 1062CO 0.50 0.03 0.23 -0.63 0.00 0.00 0.00 175.10 175.22 1rxs s ILE 1063N 0.03 5.35 -0.13 2.22 -1.09 -0.77 -0.89 121.20 125.92 1rxs s ILE 1063Ca -0.00 0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1rxs s ILE 1063Cb -0.01 -3.52 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1rxs s ILE 1063CO -0.00 0.51 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.34 1rxs s VAL 1064N -1.15 1.80 -0.11 2.92 1.01 -0.14 -0.14 120.40 124.59 1rxs s VAL 1064Ca 0.22 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1rxs s VAL 1064Cb -0.13 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.68 1rxs s VAL 1064CO 0.11 0.50 0.25 0.00 0.00 0.00 0.00 175.10 175.96 1rxs s SER 1066N 1.38 7.20 0.07 0.00 1.04 -0.64 -3.45 113.70 119.30 1rxs s SER 1066Ca -0.08 1.63 0.22 0.00 0.48 0.00 0.00 55.95 58.20 1rxs s SER 1066Cb -0.10 -2.50 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 1rxs s SER 1066CO -0.09 -0.01 0.79 0.35 0.98 0.00 0.00 173.24 175.26 1rxs n THR 1067N 0.65 0.26 -1.16 2.02 -2.24 -0.06 -4.41 114.28 109.35 1rxs n THR 1067Ca -0.00 -0.47 0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1rxs n THR 1067Cb 0.51 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1rxs n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 1068N 1.25 -2.09 3.71 3.38 0.00 -0.17 -3.19 105.19 108.08 1rxs n GLY 1068Ca -0.01 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1rxs n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1069N -1.08 5.00 0.00 -0.61 1.01 -1.26 -4.70 121.20 119.56 1rxs s ILE 1069Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1rxs s ILE 1069Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1rxs s ILE 1069CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1rxs n GLY 1070N 3.08 2.38 0.16 6.18 0.00 -1.26 -4.59 105.19 111.14 1rxs n GLY 1070Ca 0.01 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 1rxs n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 1071N 0.00 0.34 0.47 -0.02 0.00 -1.85 -2.27 103.07 99.74 1rxs h GLY 1071Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1rxs h GLY 1071CO 0.00 -0.11 -0.14 -2.55 0.00 0.00 0.00 176.54 173.74 1rxs h PRO 1072N 0.06 -0.15 -0.04 4.80 0.11 -1.94 0.33 132.00 135.17 1rxs h PRO 1072Ca 0.18 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 1rxs h PRO 1072Cb 0.27 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1rxs h PRO 1072CO -0.34 -0.10 -0.76 0.66 -0.21 0.00 0.00 178.00 177.25 1rxs h SER 1073N -0.16 0.31 -0.58 -2.05 4.64 -1.80 -2.35 113.55 111.56 1rxs h SER 1073Ca 0.10 -0.22 0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1rxs h SER 1073Cb 0.30 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 1rxs h SER 1073CO -0.24 0.96 0.10 0.74 -0.87 0.00 0.00 176.83 177.52 1rxs h THR 1074N 0.17 0.63 -0.03 2.95 2.02 -0.86 -1.71 112.91 116.06 1rxs h THR 1074Ca -0.03 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1rxs h THR 1074Cb 1.34 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1rxs h THR 1074CO 0.12 0.04 -0.22 0.77 0.37 0.00 0.00 175.52 176.60 1rxs h SER 1075N 0.22 0.05 -0.03 4.18 4.64 0.15 -0.16 113.55 122.61 1rxs h SER 1075Ca 0.30 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1rxs h SER 1075Cb 0.46 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1rxs h SER 1075CO -0.41 0.28 -0.01 0.40 -0.87 0.00 0.00 176.83 176.22 1rxs h ILE 1076N 0.05 1.30 -0.19 0.95 2.04 -1.03 -2.33 117.51 118.31 1rxs h ILE 1076Ca 0.01 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1rxs h ILE 1076Cb 0.43 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1rxs h ILE 1076CO 0.03 0.25 0.09 0.00 0.00 0.00 0.00 178.15 178.52 1rxs h ALA 1077N 0.63 0.22 -0.23 1.87 0.00 -0.64 -0.62 119.26 120.50 1rxs h ALA 1077Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1077Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rxs h ALA 1077CO 0.00 -0.33 0.02 0.28 0.00 0.00 0.00 179.25 179.22 1rxs h VAL 1078N 0.19 1.24 -0.49 0.00 2.07 -1.11 -0.25 116.25 117.90 1rxs h VAL 1078Ca 0.08 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1rxs h VAL 1078Cb 0.02 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1rxs h VAL 1078CO -0.06 0.25 0.24 -0.08 0.02 0.00 0.00 177.57 177.95 1rxs h GLU 1079N 0.18 0.46 -0.01 1.57 4.57 -1.26 0.13 114.58 120.22 1rxs h GLU 1079Ca 0.07 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.02 1rxs h GLU 1079Cb 0.35 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1rxs h GLU 1079CO 0.01 0.31 -0.85 0.93 -1.18 0.00 0.00 179.01 178.22 1rxs h GLU 1080N 0.48 0.24 -0.54 1.92 5.08 -0.87 -1.15 114.58 119.73 1rxs h GLU 1080Ca 0.22 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1rxs h GLU 1080Cb 0.14 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1rxs h GLU 1080CO -0.16 0.96 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.70 1rxs h LEU 1081N 0.14 0.95 -0.77 1.33 3.38 -0.79 -1.84 115.31 117.72 1rxs h LEU 1081Ca -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1rxs h LEU 1081Cb 1.47 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1rxs h LEU 1081CO 0.13 1.03 0.48 0.00 0.09 0.00 0.00 178.44 180.17 1rxs h ALA 1082N 1.06 0.97 -0.10 1.53 0.00 -0.29 -0.24 119.26 122.20 1rxs h ALA 1082Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rxs h ALA 1082Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rxs h ALA 1082CO 0.03 0.42 0.03 1.96 0.00 0.00 0.00 179.25 181.69 1rxs h GLN 1083N 1.04 0.13 -0.06 0.00 4.20 -0.86 -2.01 115.11 117.56 1rxs h GLN 1083Ca 0.28 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1rxs h GLN 1083Cb -0.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1rxs h GLN 1083CO -0.06 0.12 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 1rxs n LEU 1084N -4.49 1.40 0.00 1.46 4.77 -0.18 -4.93 117.00 115.03 1rxs n LEU 1084Ca -0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1rxs n LEU 1084Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1rxs n LEU 1084CO 0.35 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1rxs n GLY 1085N 1.14 1.14 3.73 -0.72 0.00 -0.75 -4.82 105.19 104.90 1rxs n GLY 1085Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1rxs n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1086N -2.00 3.22 -0.04 -0.61 -1.09 -0.71 -4.49 121.20 115.48 1rxs s ILE 1086Ca 0.00 0.94 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1rxs s ILE 1086Cb 0.00 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1rxs s ILE 1086CO 0.00 0.11 0.04 0.54 -1.23 0.00 0.00 174.94 174.40 1rxs n ARG 1087N 3.23 6.64 -4.38 2.79 5.12 0.10 -4.23 116.66 125.94 1rxs n ARG 1087Ca 0.09 -0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.77 1rxs n ARG 1087Cb 0.42 -0.55 -0.17 0.00 -1.16 0.00 0.00 32.46 31.01 1rxs n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 1088N -1.08 0.97 -0.17 0.55 2.01 -0.64 -1.31 115.64 115.97 1rxs s THR 1088Ca 0.00 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1rxs s THR 1088Cb 0.01 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1rxs s THR 1088CO 0.04 0.32 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.73 1rxs s PHE 1089N 0.89 2.74 -0.24 4.92 0.08 0.11 -0.65 117.98 125.83 1rxs s PHE 1089Ca -0.11 -1.55 -0.03 0.00 0.12 0.00 0.00 56.93 55.36 1rxs s PHE 1089Cb -0.15 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1rxs s PHE 1089CO 0.01 -0.75 -0.05 -0.51 -0.10 0.00 0.00 175.22 173.82 1rxs s LEU 1090N 1.15 3.05 -0.05 -0.37 1.43 0.13 -1.15 118.68 122.87 1rxs s LEU 1090Ca 0.01 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 1rxs s LEU 1090Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1rxs s LEU 1090CO -0.10 -0.08 0.48 -0.60 0.23 0.00 0.00 176.35 176.28 1rxs s ARG 1091N 1.40 4.21 -0.16 1.70 3.52 -0.29 0.13 118.95 129.46 1rxs s ARG 1091Ca 0.03 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1rxs s ARG 1091Cb -0.15 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1rxs s ARG 1091CO -0.04 0.38 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.12 1rxs s ILE 1092N -0.11 2.14 0.37 4.11 1.10 -1.22 -1.11 121.20 126.47 1rxs s ILE 1092Ca 0.26 -0.94 0.05 0.00 -0.51 0.00 0.00 60.65 59.52 1rxs s ILE 1092Cb -0.16 -1.88 -0.02 0.00 0.15 0.00 0.00 42.46 40.55 1rxs s ILE 1092CO 0.13 0.54 0.19 0.61 -2.11 0.00 0.00 174.94 174.29 1rxs n GLY 1093N 4.32 3.15 3.58 1.50 0.00 -0.01 -4.12 105.19 113.60 1rxs n GLY 1093Ca -0.20 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1rxs n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 1094N -3.14 3.40 0.13 2.61 -4.23 -1.26 -2.01 115.64 111.14 1rxs s THR 1094Ca 0.27 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1rxs s THR 1094Cb 0.01 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1rxs s THR 1094CO 0.19 0.12 0.28 0.28 -0.54 0.00 0.00 174.62 174.95 1rxs s THR 1095N -1.22 0.10 -0.20 3.99 -1.32 -0.59 -4.89 115.64 111.50 1rxs s THR 1095Ca 0.21 -1.11 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 1rxs s THR 1095Cb -0.11 -1.48 -0.01 0.00 -1.51 0.00 0.00 72.50 69.38 1rxs s THR 1095CO 0.14 -0.44 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.22 1rxs s GLY 1096N -2.89 1.61 0.55 6.08 0.00 -1.23 -1.07 107.32 110.37 1rxs s GLY 1096Ca 0.09 -1.10 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 1rxs s GLY 1096CO -0.07 0.30 1.06 0.00 0.00 0.00 0.00 173.10 174.39 1rxs s ALA 1097N 1.23 2.77 0.00 3.20 0.00 -0.34 -2.27 121.76 126.36 1rxs s ALA 1097Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1rxs s ALA 1097Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1rxs s ALA 1097CO -0.02 -0.63 0.67 0.44 0.00 0.00 0.00 175.76 176.23 1rxs n ILE 1098N -1.51 0.37 -3.91 0.00 -5.35 -0.09 -0.64 119.36 108.22 1rxs n ILE 1098Ca 0.09 -0.66 -0.36 0.00 -0.27 0.00 0.00 62.75 61.56 1rxs n ILE 1098Cb 0.52 0.84 -0.08 0.00 -1.74 0.00 0.00 39.64 39.19 1rxs n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 1099N -0.37 3.76 0.58 6.28 -1.52 -1.24 -4.79 119.66 122.36 1rxs s GLN 1099Ca 0.00 -0.24 0.37 0.00 -1.95 0.00 0.00 55.36 53.54 1rxs s GLN 1099Cb 0.00 -3.23 1.74 0.00 -0.22 0.00 0.00 33.01 31.30 1rxs s GLN 1099CO 0.00 0.50 2.11 -1.00 -0.25 0.00 0.00 175.29 176.65 1rxs h PRO 1100N 5.95 0.00 0.00 2.91 0.13 -1.96 -2.66 132.00 136.37 1rxs h PRO 1100Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rxs h PRO 1100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxs h PRO 1100CO 0.66 0.00 -0.32 -2.39 -0.23 0.00 0.00 178.00 175.73 1rxs n HIS 1101N -3.03 0.04 -3.39 1.56 1.44 -1.26 -4.79 115.22 105.79 1rxs n HIS 1101Ca -0.01 0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1rxs n HIS 1101Cb 0.21 -0.37 -0.07 0.00 0.12 0.00 0.00 29.99 29.88 1rxs n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 1102N -3.01 5.20 0.18 0.61 1.01 -1.00 -5.07 121.20 119.12 1rxs s ILE 1102Ca 0.12 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.52 1rxs s ILE 1102Cb 0.18 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1rxs s ILE 1102CO 0.64 0.25 0.17 0.20 0.00 0.00 0.00 174.94 176.20 1rxs s ASN 1103N 1.05 5.65 0.05 3.58 0.02 -1.26 -4.88 114.94 119.14 1rxs s ASN 1103Ca 0.19 -0.11 -0.32 0.00 -1.02 0.00 0.00 52.86 51.61 1rxs s ASN 1103Cb -0.15 -1.51 -0.11 0.00 0.02 0.00 0.00 41.25 39.51 1rxs s ASN 1103CO 0.08 0.04 1.87 0.52 0.02 0.00 0.00 177.10 179.64 1rxs n VAL 1104N -0.55 0.52 0.00 1.60 0.31 -1.26 -1.16 118.33 117.79 1rxs n VAL 1104Ca -0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1rxs n VAL 1104Cb 0.55 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1rxs n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 1105N 4.31 2.14 3.78 2.92 0.00 -0.69 -5.02 105.19 112.64 1rxs n GLY 1105Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1rxs n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 1106N -1.31 4.55 -0.07 1.61 -0.00 -0.31 -4.79 116.67 116.35 1rxs s ASP 1106Ca 0.00 1.57 0.04 0.00 -0.00 0.00 0.00 52.55 54.16 1rxs s ASP 1106Cb 0.00 -2.33 -0.01 0.00 -0.00 0.00 0.00 42.92 40.58 1rxs s ASP 1106CO 0.00 -1.97 -0.20 -0.69 -0.00 0.00 0.00 175.17 172.32 1rxs s VAL 1107N -3.01 2.54 -0.17 -1.27 1.01 -0.37 -1.97 120.40 117.16 1rxs s VAL 1107Ca 0.61 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1rxs s VAL 1107Cb -0.16 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1rxs s VAL 1107CO 0.55 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 175.35 1rxs s LEU 1108N -0.16 2.65 -0.25 3.92 1.43 0.72 -0.66 118.68 126.33 1rxs s LEU 1108Ca -0.02 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1rxs s LEU 1108Cb -0.14 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1rxs s LEU 1108CO 0.04 0.06 0.06 -0.69 0.23 0.00 0.00 176.35 176.05 1rxs s VAL 1109N 0.97 4.18 -0.23 -1.59 1.01 0.20 -1.06 120.40 123.88 1rxs s VAL 1109Ca -0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1rxs s VAL 1109Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1rxs s VAL 1109CO -0.01 0.32 0.74 -0.89 0.00 0.00 0.00 175.10 175.25 1rxs s THR 1110N 1.59 4.92 0.10 3.92 2.01 -0.96 -1.92 115.64 125.29 1rxs s THR 1110Ca 0.06 1.39 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 1rxs s THR 1110Cb -0.15 -4.04 -0.24 0.00 0.01 0.00 0.00 72.50 68.08 1rxs s THR 1110CO 0.03 0.00 1.21 0.71 -0.69 0.00 0.00 174.62 175.88 1rxs h THR 1111N 5.35 1.51 -2.26 -0.82 1.35 -1.04 -3.40 112.91 113.60 1rxs h THR 1111Ca -0.26 -2.96 0.13 0.00 -0.55 0.00 0.00 66.41 62.77 1rxs h THR 1111Cb 1.12 2.80 -0.14 0.00 -1.73 0.00 0.00 68.15 70.19 1rxs h THR 1111CO 0.82 0.86 0.51 0.00 -0.25 0.00 0.00 175.52 177.46 1rxs s ALA 1112N -2.82 -1.80 0.02 6.62 0.00 -1.25 -0.57 121.76 121.95 1rxs s ALA 1112Ca -0.03 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1rxs s ALA 1112Cb 0.08 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 1rxs s ALA 1112CO 0.87 -0.76 -0.25 -1.12 0.00 0.00 0.00 175.76 174.50 1rxs s SER 1113N -2.57 3.25 0.04 0.00 0.01 -0.10 -2.02 113.70 112.31 1rxs s SER 1113Ca 0.07 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1rxs s SER 1113Cb -0.01 -0.36 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 1rxs s SER 1113CO -0.07 0.28 1.45 -0.69 0.41 0.00 0.00 173.24 174.62 1rxs s VAL 1114N -0.76 3.49 -1.11 3.43 1.01 0.90 -4.34 120.40 123.01 1rxs s VAL 1114Ca 0.12 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 1rxs s VAL 1114Cb -0.10 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.82 1rxs s VAL 1114CO 0.02 0.01 1.36 -0.13 0.00 0.00 0.00 175.10 176.36 1rxs s ARG 1115N 2.17 3.89 -0.38 2.72 0.52 -1.26 -1.64 118.95 124.98 1rxs s ARG 1115Ca 0.66 -2.18 0.03 0.00 -0.52 0.00 0.00 55.73 53.72 1rxs s ARG 1115Cb -0.34 -5.07 0.54 0.00 0.52 0.00 0.00 34.95 30.59 1rxs s ARG 1115CO 0.28 -1.84 1.77 1.28 0.02 0.00 0.00 175.30 176.82 1rxs n LEU 1116N 6.37 6.15 -4.64 2.53 4.77 -0.10 -4.97 117.00 127.11 1rxs n LEU 1116Ca 0.33 -3.27 -0.26 0.00 -0.03 0.00 0.00 56.01 52.78 1rxs n LEU 1116Cb 0.46 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1rxs n LEU 1116CO 0.60 0.98 -0.28 1.51 -1.33 0.00 0.00 177.39 178.87 1rxs s ASP 1117N -0.90 4.03 -0.10 -1.43 -4.77 -1.21 -1.74 116.67 110.55 1rxs s ASP 1117Ca 0.47 -1.21 0.01 0.00 -3.30 0.00 0.00 52.55 48.51 1rxs s ASP 1117Cb 0.39 -0.43 -0.25 0.00 -1.09 0.00 0.00 42.92 41.54 1rxs s ASP 1117CO 0.08 -0.40 0.46 0.61 0.70 0.00 0.00 175.17 176.62 1rxs n GLY 1118N -1.00 -0.71 0.28 2.12 0.00 -1.26 -4.63 105.19 99.98 1rxs n GLY 1118Ca -0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1rxs n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 1119N 0.41 0.93 -0.93 4.61 0.00 -1.97 -2.64 119.26 119.67 1rxs h ALA 1119Ca -0.38 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1rxs h ALA 1119Cb 2.03 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1rxs h ALA 1119CO 0.08 0.62 0.60 0.66 0.00 0.00 0.00 179.25 181.21 1rxs h SER 1120N 0.73 0.94 0.00 0.00 4.64 -1.85 0.65 113.55 118.65 1rxs h SER 1120Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rxs h SER 1120Cb 0.64 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1rxs h SER 1120CO 0.04 0.60 0.17 -0.07 -0.87 0.00 0.00 176.83 176.71 1rxs h LEU 1121N 1.06 0.00 -0.02 5.97 3.38 -1.58 0.27 115.31 124.39 1rxs h LEU 1121Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1rxs h LEU 1121Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rxs h LEU 1121CO -0.15 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 179.78 1rxs n HIS 1122N -2.72 0.00 -0.01 1.13 8.25 0.23 -4.00 115.22 118.09 1rxs n HIS 1122Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1rxs n HIS 1122Cb 0.22 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1rxs n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 1123N -1.26 0.00 -3.61 4.41 3.72 0.84 -5.07 117.46 116.50 1rxs n PHE 1123Ca 0.14 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.39 1rxs n PHE 1123Cb 0.24 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 1rxs n PHE 1123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 1124N -2.05 -1.65 1.00 4.37 0.00 -0.65 -5.00 121.76 117.79 1rxs s ALA 1124Ca -0.01 1.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 1rxs s ALA 1124Cb 0.01 -0.64 0.19 0.00 0.00 0.00 0.00 23.12 22.68 1rxs s ALA 1124CO 0.07 -0.33 1.08 -1.25 0.00 0.00 0.00 175.76 175.33 1rxs s PRO 1125N -0.29 0.36 0.51 0.00 0.04 -1.26 -3.91 135.00 130.44 1rxs s PRO 1125Ca -0.05 0.84 0.15 0.00 0.04 0.00 0.00 61.00 61.99 1rxs s PRO 1125Cb -0.03 -1.70 1.22 0.00 0.04 0.00 0.00 34.50 34.02 1rxs s PRO 1125CO 0.04 -2.86 2.13 1.25 0.04 0.00 0.00 177.00 177.60 1rxs h LEU 1126N -2.00 0.03 -0.81 -3.56 5.85 -1.94 -1.55 115.31 111.34 1rxs h LEU 1126Ca -0.54 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rxs h LEU 1126Cb 1.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1rxs h LEU 1126CO 0.52 0.04 0.00 -1.84 -0.34 0.00 0.00 178.44 176.82 1rxs n GLU 1127N -4.52 0.16 -2.67 1.25 0.00 -1.26 -4.68 120.64 108.92 1rxs n GLU 1127Ca -0.03 0.47 -0.42 0.00 0.00 0.00 0.00 57.16 57.19 1rxs n GLU 1127Cb 0.10 -1.85 -0.04 0.00 0.00 0.00 0.00 31.44 29.66 1rxs n GLU 1127CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1rxs s PHE 1128N -3.34 3.68 0.08 -1.84 5.36 -0.59 -5.00 117.98 116.34 1rxs s PHE 1128Ca 0.03 1.68 -0.30 0.00 -0.96 0.00 0.00 56.93 57.38 1rxs s PHE 1128Cb 0.08 -3.14 -0.06 0.00 -0.34 0.00 0.00 43.02 39.56 1rxs s PHE 1128CO 0.32 -0.12 1.17 -1.25 -1.46 0.00 0.00 175.22 173.88 1rxs s PRO 1129N 0.54 4.47 -1.31 10.12 0.04 -1.26 -4.92 135.00 142.68 1rxs s PRO 1129Ca 0.51 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1rxs s PRO 1129Cb -0.23 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1rxs s PRO 1129CO 0.29 -0.19 2.10 0.00 0.04 0.00 0.00 177.00 179.25 1rxs n ALA 1130N 3.62 4.75 -2.81 8.56 0.00 -1.26 -4.77 120.51 128.60 1rxs n ALA 1130Ca 0.08 -3.75 -0.36 0.00 0.00 0.00 0.00 53.44 49.41 1rxs n ALA 1130Cb 0.47 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 16.28 1rxs n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 1131N 3.93 5.24 0.60 0.00 0.11 -1.26 -0.92 120.40 128.10 1rxs s VAL 1131Ca 0.51 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.52 1rxs s VAL 1131Cb 0.12 -3.32 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1rxs s VAL 1131CO -0.02 0.54 1.05 0.00 -3.33 0.00 0.00 175.10 173.35 1rxs s ALA 1132N -0.41 2.75 0.23 1.54 0.00 0.27 -4.69 121.76 121.45 1rxs s ALA 1132Ca 0.11 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1rxs s ALA 1132Cb -0.12 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1rxs s ALA 1132CO 0.02 -0.83 1.43 0.34 0.00 0.00 0.00 175.76 176.71 1rxs s ASP 1133N -2.91 6.69 0.21 0.00 -1.08 0.54 -4.93 116.67 115.20 1rxs s ASP 1133Ca 0.63 2.62 -0.10 0.00 -0.52 0.00 0.00 52.55 55.17 1rxs s ASP 1133Cb -0.15 -2.62 0.17 0.00 -1.46 0.00 0.00 42.92 38.86 1rxs s ASP 1133CO 0.39 -0.68 1.88 0.15 0.52 0.00 0.00 175.17 177.42 1rxs h PHE 1134N 5.23 0.93 -0.43 -5.34 3.04 -1.94 -0.30 116.94 118.13 1rxs h PHE 1134Ca -0.45 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.43 1rxs h PHE 1134Cb 1.22 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1rxs h PHE 1134CO 0.61 0.58 -0.06 0.93 -2.02 0.00 0.00 178.31 178.34 1rxs h GLU 1135N 1.00 0.80 -0.51 1.11 5.08 -1.95 -0.39 114.58 119.73 1rxs h GLU 1135Ca 0.28 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1rxs h GLU 1135Cb -0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1rxs h GLU 1135CO -0.07 0.90 0.23 0.00 -1.00 0.00 0.00 179.01 179.07 1rxs h THR 1137N 0.67 1.20 -0.06 0.00 2.02 -0.92 0.12 112.91 115.93 1rxs h THR 1137Ca 0.17 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1rxs h THR 1137Cb 0.14 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1rxs h THR 1137CO -0.02 0.22 0.02 0.74 0.37 0.00 0.00 175.52 176.84 1rxs h THR 1138N 0.80 0.98 -0.87 3.16 2.02 -0.86 0.45 112.91 118.60 1rxs h THR 1138Ca 0.21 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.47 1rxs h THR 1138Cb 0.07 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1rxs h THR 1138CO -0.03 0.01 0.51 0.00 0.37 0.00 0.00 175.52 176.38 1rxs h ALA 1139N 1.04 1.25 -0.24 6.16 0.00 -0.81 0.52 119.26 127.18 1rxs h ALA 1139Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1139Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rxs h ALA 1139CO -0.03 0.15 -0.09 -0.07 0.00 0.00 0.00 179.25 179.20 1rxs h LEU 1140N 0.86 0.50 -0.72 0.00 3.38 -0.60 -0.61 115.31 118.12 1rxs h LEU 1140Ca 0.42 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1rxs h LEU 1140Cb 0.36 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1rxs h LEU 1140CO -0.24 0.78 0.23 0.58 0.09 0.00 0.00 178.44 179.88 1rxs h VAL 1141N 0.22 1.26 -0.39 1.22 2.07 -0.61 -1.22 116.25 118.80 1rxs h VAL 1141Ca 0.06 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 1rxs h VAL 1141Cb 0.58 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1rxs h VAL 1141CO 0.03 0.35 -0.28 -0.33 0.02 0.00 0.00 177.57 177.36 1rxs h GLU 1142N 1.07 0.84 -0.33 1.57 5.08 -0.85 -1.35 114.58 120.60 1rxs h GLU 1142Ca 0.23 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1rxs h GLU 1142Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1rxs h GLU 1142CO -0.01 1.01 0.04 0.00 -1.00 0.00 0.00 179.01 179.06 1rxs h ALA 1143N 0.96 0.44 -0.33 3.43 0.00 -0.95 -1.04 119.26 121.78 1rxs h ALA 1143Ca 0.08 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rxs h ALA 1143Cb 0.83 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1rxs h ALA 1143CO 0.07 0.15 0.03 0.00 0.00 0.00 0.00 179.25 179.51 1rxs h ALA 1144N 0.89 0.32 -0.97 0.00 0.00 -1.08 -2.23 119.26 116.19 1rxs h ALA 1144Ca 0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1rxs h ALA 1144Cb 0.37 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1rxs h ALA 1144CO 0.01 -0.37 0.64 -0.22 0.00 0.00 0.00 179.25 179.30 1rxs h LYS 1145N 0.14 1.15 0.00 0.00 1.63 -1.06 -2.05 116.57 116.38 1rxs h LYS 1145Ca 0.16 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1rxs h LYS 1145Cb 0.19 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1rxs h LYS 1145CO -0.23 0.76 -0.27 0.66 -3.45 0.00 0.00 179.45 176.92 1rxs h SER 1146N 1.19 0.00 -0.13 4.20 4.64 -0.59 -2.29 113.55 120.56 1rxs h SER 1146Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1rxs h SER 1146Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1rxs h SER 1146CO -0.14 0.27 0.00 2.30 -0.87 0.00 0.00 176.83 178.39 1rxs n ILE 1147N -3.43 0.21 -1.38 0.95 -6.64 -1.02 -5.01 119.36 103.05 1rxs n ILE 1147Ca 0.00 -0.61 -0.07 0.00 -1.77 0.00 0.00 62.75 60.31 1rxs n ILE 1147Cb 0.46 1.19 -0.02 0.00 -1.44 0.00 0.00 39.64 39.82 1rxs n ILE 1147CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxs n GLY 1148N 1.02 0.75 3.78 3.28 0.00 -0.80 -5.03 105.19 108.20 1rxs n GLY 1148Ca 0.12 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1rxs n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs s ALA 1149N -2.27 3.09 -0.09 4.61 0.00 -1.04 -4.99 121.76 121.07 1rxs s ALA 1149Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 1rxs s ALA 1149Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1rxs s ALA 1149CO 0.00 -0.28 1.25 0.95 0.00 0.00 0.00 175.76 177.68 1rxs s THR 1150N -1.61 4.19 -0.01 0.00 -4.23 -1.26 -4.72 115.64 108.00 1rxs s THR 1150Ca 0.58 1.50 0.06 0.00 -1.18 0.00 0.00 61.69 62.64 1rxs s THR 1150Cb -0.24 -3.96 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 1rxs s THR 1150CO 0.30 -0.05 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.25 1rxs s THR 1151N 2.72 1.47 -0.05 3.99 2.01 -1.26 -1.24 115.64 123.28 1rxs s THR 1151Ca 0.57 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1rxs s THR 1151Cb -0.25 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1rxs s THR 1151CO 0.20 0.42 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.32 1rxs s HIS 1152N -0.43 2.47 -0.14 4.92 3.76 0.16 -4.95 115.29 121.08 1rxs s HIS 1152Ca 0.07 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1rxs s HIS 1152Cb -0.07 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.04 1rxs s HIS 1152CO -0.01 -0.09 -0.21 0.08 -0.85 0.00 0.00 174.74 173.66 1rxs s VAL 1153N -0.38 2.01 -2.18 -0.90 1.01 -1.26 -0.63 120.40 118.08 1rxs s VAL 1153Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1rxs s VAL 1153Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1rxs s VAL 1153CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxs n GLY 1154N 4.12 -0.59 3.86 4.51 0.00 -0.81 -4.94 105.19 111.34 1rxs n GLY 1154Ca -0.20 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1rxs n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 1155N -3.38 5.30 -0.04 1.61 1.01 -1.26 -0.36 120.40 123.28 1rxs s VAL 1155Ca 0.00 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1rxs s VAL 1155Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1rxs s VAL 1155CO 0.00 0.59 -0.25 -0.89 0.00 0.00 0.00 175.10 174.55 1rxs s THR 1156N -1.07 2.00 -0.21 3.92 2.01 -0.86 -0.53 115.64 120.90 1rxs s THR 1156Ca 0.19 -1.05 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1rxs s THR 1156Cb -0.14 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1rxs s THR 1156CO 0.09 0.56 0.73 0.00 -0.69 0.00 0.00 174.62 175.30 1rxs s ALA 1157N -0.30 3.57 -0.36 7.40 0.00 0.18 -0.07 121.76 132.18 1rxs s ALA 1157Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1rxs s ALA 1157Cb -0.12 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1rxs s ALA 1157CO 0.02 -0.71 0.12 0.45 0.00 0.00 0.00 175.76 175.64 1rxs s SER 1158N 1.27 5.21 -0.08 0.00 0.15 -0.65 -1.75 113.70 117.85 1rxs s SER 1158Ca 0.32 -1.49 -0.00 0.00 0.70 0.00 0.00 55.95 55.48 1rxs s SER 1158Cb -0.16 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1rxs s SER 1158CO 0.10 -0.40 -0.04 -0.55 1.20 0.00 0.00 173.24 173.55 1rxs s SER 1159N 1.57 4.88 0.00 5.45 0.15 0.25 -0.92 113.70 125.08 1rxs s SER 1159Ca 0.01 0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.79 1rxs s SER 1159Cb -0.21 -1.31 0.41 0.00 -1.71 0.00 0.00 66.02 63.20 1rxs s SER 1159CO -0.01 0.36 1.31 0.47 1.20 0.00 0.00 173.24 176.57 1rxs n ASP 1160N 2.26 0.00 -4.22 5.45 10.43 -0.71 -4.39 116.55 125.37 1rxs n ASP 1160Ca -0.18 0.49 -0.16 0.00 2.57 0.00 0.00 54.79 57.51 1rxs n ASP 1160Cb 0.53 -0.50 -0.11 0.00 1.84 0.00 0.00 41.12 42.89 1rxs n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 1161N -2.99 1.15 -0.02 -3.53 -4.23 -1.26 -5.01 115.64 99.74 1rxs s THR 1161Ca 0.05 -1.75 0.12 0.00 -1.18 0.00 0.00 61.69 58.93 1rxs s THR 1161Cb 0.06 -1.52 -0.17 0.00 1.34 0.00 0.00 72.50 72.22 1rxs s THR 1161CO 0.18 -0.53 0.99 0.15 -0.54 0.00 0.00 174.62 174.87 1rxs h PHE 1162N 3.40 0.00 0.00 3.99 3.57 -1.97 -3.39 116.94 122.55 1rxs h PHE 1162Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1rxs h PHE 1162Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxs h PHE 1162CO 0.65 0.85 0.00 0.66 -2.23 0.00 0.00 178.31 178.24 1rxs n TYR 1163N -3.14 0.00 -0.22 0.41 4.02 -1.26 -4.33 117.16 112.63 1rxs n TYR 1163Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.78 1rxs n TYR 1163Cb 0.93 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.39 1rxs n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1rxs h PRO 1164N 0.00 1.04 0.00 -0.72 0.13 -1.88 -0.46 132.00 130.11 1rxs h PRO 1164Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1rxs h PRO 1164Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1rxs h PRO 1164CO 0.00 0.84 0.00 0.78 -0.23 0.00 0.00 178.00 179.39 1rxs h GLY 1165N 1.08 0.00 -2.03 1.56 0.00 -1.86 0.29 103.07 102.11 1rxs h GLY 1165Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 1rxs h GLY 1165CO -0.02 0.00 0.03 -1.06 0.00 0.00 0.00 176.54 175.49 1rxs n GLN 1166N -2.39 2.69 -4.19 4.80 6.02 -0.87 -4.92 117.38 118.53 1rxs n GLN 1166Ca 0.02 -2.98 -0.30 0.00 -0.01 0.00 0.00 57.00 53.73 1rxs n GLN 1166Cb 0.24 -1.89 -0.06 0.00 1.02 0.00 0.00 30.24 29.55 1rxs n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 1167N -0.66 -2.06 -3.21 -1.09 2.13 0.10 -4.95 120.64 110.90 1rxs n GLU 1167Ca 0.28 0.25 -0.39 0.00 0.66 0.00 0.00 57.16 57.96 1rxs n GLU 1167Cb 1.01 -4.20 -0.06 0.00 0.27 0.00 0.00 31.44 28.46 1rxs n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 1168N -7.01 4.33 0.00 5.31 0.52 -0.23 -4.95 118.95 116.91 1rxs s ARG 1168Ca 0.15 0.58 0.21 0.00 -0.52 0.00 0.00 55.73 56.15 1rxs s ARG 1168Cb -0.09 -3.48 -0.23 0.00 0.52 0.00 0.00 34.95 31.68 1rxs s ARG 1168CO 0.95 0.03 0.90 0.66 0.02 0.00 0.00 175.30 177.86 1rxs n TYR 1169N 4.06 0.00 -2.77 -0.53 4.01 -1.26 -4.40 117.16 116.26 1rxs n TYR 1169Ca -0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1rxs n TYR 1169Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1rxs n TYR 1169CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxs n ASP 1170N -1.48 5.30 -2.39 7.72 4.64 -1.26 -4.15 116.55 124.94 1rxs n ASP 1170Ca 0.04 -3.06 -0.12 0.00 -1.38 0.00 0.00 54.79 50.27 1rxs n ASP 1170Cb 0.33 -1.50 -0.04 0.00 -1.04 0.00 0.00 41.12 38.87 1rxs n ASP 1170CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1rxs n THR 1171N 3.73 0.00 -0.16 5.18 -2.24 -1.26 -5.01 114.28 114.52 1rxs n THR 1171Ca 0.36 -1.46 -0.09 0.00 -2.27 0.00 0.00 64.05 60.59 1rxs n THR 1171Cb 0.39 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1rxs n THR 1171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1rxs h TYR 1172N 1.67 0.76 0.00 4.78 5.03 -1.98 -3.15 116.97 124.08 1rxs h TYR 1172Ca -0.15 -0.09 -0.25 0.00 2.58 0.00 0.00 58.73 60.82 1rxs h TYR 1172Cb 0.76 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.78 1rxs h TYR 1172CO 0.00 0.69 -1.54 0.66 -1.32 0.00 0.00 178.16 176.65 1rxs h SER 1173N 0.61 0.00 -0.36 -2.11 4.64 -1.97 -3.48 113.55 110.88 1rxs h SER 1173Ca 0.14 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 1rxs h SER 1173Cb 0.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 1rxs h SER 1173CO -0.00 0.87 -0.14 0.61 -0.87 0.00 0.00 176.83 177.30 1rxs n GLY 1174N 1.49 0.95 3.14 -0.77 0.00 -1.19 -5.01 105.19 103.80 1rxs n GLY 1174Ca -0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1rxs n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 1175N -2.49 0.75 -0.05 1.61 1.70 -1.26 -4.90 118.95 114.30 1rxs s ARG 1175Ca 0.00 -1.24 0.05 0.00 -0.47 0.00 0.00 55.73 54.07 1rxs s ARG 1175Cb 0.00 -0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1rxs s ARG 1175CO 0.00 -0.03 -0.19 0.08 -1.08 0.00 0.00 175.30 174.09 1rxs s VAL 1176N -3.38 1.57 0.39 4.99 1.01 -1.26 -4.91 120.40 118.80 1rxs s VAL 1176Ca 0.08 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1rxs s VAL 1176Cb 0.04 -1.35 -0.11 0.00 0.00 0.00 0.00 36.38 34.96 1rxs s VAL 1176CO -0.05 0.45 1.06 0.55 0.00 0.00 0.00 175.10 177.11 1rxs n VAL 1177N 3.16 2.31 -0.34 2.92 3.14 -1.26 -4.65 118.33 123.62 1rxs n VAL 1177Ca -0.18 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.82 1rxs n VAL 1177Cb 0.53 -1.21 0.26 0.00 -1.06 0.00 0.00 33.84 32.35 1rxs n VAL 1177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1rxs h ARG 1178N 1.78 0.01 -0.89 1.45 2.43 -2.00 0.10 114.38 117.27 1rxs h ARG 1178Ca -0.44 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 58.89 1rxs h ARG 1178Cb 1.33 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 1rxs h ARG 1178CO 0.58 0.01 0.58 1.25 -1.51 0.00 0.00 179.97 180.88 1rxs h HIS 1179N 0.02 0.72 -0.01 2.20 2.76 -2.03 -2.78 115.15 116.02 1rxs h HIS 1179Ca 0.57 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.76 1rxs h HIS 1179Cb 1.11 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.85 1rxs h HIS 1179CO -0.54 0.23 -0.65 1.19 -1.30 0.00 0.00 177.93 176.87 1rxs n PHE 1180N -4.55 0.00 -1.75 5.26 3.01 0.33 -4.80 117.46 114.95 1rxs n PHE 1180Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 1rxs n PHE 1180Cb 0.55 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.99 1rxs n PHE 1180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxs s LYS 1181N -2.63 4.15 0.00 -1.08 2.20 -0.99 -0.91 119.74 120.47 1rxs s LYS 1181Ca 0.15 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1rxs s LYS 1181Cb 0.17 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1rxs s LYS 1181CO 0.67 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1rxs n GLY 1182N 4.26 0.39 0.15 5.54 0.00 -1.26 -4.92 105.19 109.35 1rxs n GLY 1182Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1rxs n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 1183N 0.00 0.33 -0.43 1.61 4.64 -1.33 -3.07 113.55 115.30 1rxs h SER 1183Ca 0.00 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1rxs h SER 1183Cb 0.24 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1rxs h SER 1183CO 0.00 0.99 0.04 -0.03 -0.87 0.00 0.00 176.83 176.96 1rxs h MET 1184N 0.17 0.73 -0.74 4.77 -1.53 -1.91 -1.12 114.93 115.29 1rxs h MET 1184Ca -0.03 -0.21 0.05 0.00 -3.44 0.00 0.00 59.70 56.06 1rxs h MET 1184Cb 1.37 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 32.30 1rxs h MET 1184CO 0.12 0.77 0.49 1.49 0.14 0.00 0.00 176.91 179.93 1rxs h GLU 1185N 0.58 0.83 -0.06 0.39 4.81 -1.96 -0.25 114.58 118.91 1rxs h GLU 1185Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1rxs h GLU 1185Cb 0.42 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1rxs h GLU 1185CO 0.01 0.55 0.01 0.93 -0.73 0.00 0.00 179.01 179.78 1rxs h GLU 1186N 0.85 0.10 -0.79 1.92 4.39 -1.24 -1.32 114.58 118.50 1rxs h GLU 1186Ca 0.30 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1rxs h GLU 1186Cb 0.13 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1rxs h GLU 1186CO -0.09 0.32 0.47 -1.49 -1.16 0.00 0.00 179.01 177.05 1rxs h TRP 1187N -0.14 1.04 -0.28 4.33 -0.00 -0.92 -2.17 115.95 117.82 1rxs h TRP 1187Ca 0.02 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1rxs h TRP 1187Cb 0.27 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 29.05 1rxs h TRP 1187CO 0.01 0.70 0.05 0.37 -0.00 0.00 0.00 178.44 179.57 1rxs h GLN 1188N 1.09 0.14 0.00 0.49 4.15 -0.88 -1.27 115.11 118.84 1rxs h GLN 1188Ca 0.28 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1rxs h GLN 1188Cb -0.03 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1rxs h GLN 1188CO -0.05 0.09 -0.20 0.00 -1.93 0.00 0.00 178.83 176.74 1rxs h ALA 1189N 1.21 1.58 -0.09 3.38 0.00 -0.72 -2.36 119.26 122.25 1rxs h ALA 1189Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rxs h ALA 1189Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rxs h ALA 1189CO -0.18 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 1rxs n MET 1190N -4.17 1.71 -0.40 0.00 2.81 -0.70 -4.90 117.12 111.46 1rxs n MET 1190Ca -0.02 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 1rxs n MET 1190Cb 0.27 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1rxs n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 1191N 1.16 0.75 3.75 3.03 0.00 -0.89 -5.03 105.19 107.96 1rxs n GLY 1191Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rxs n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 1192N -2.43 2.50 0.01 1.61 1.01 -0.56 -4.65 120.40 117.88 1rxs s VAL 1192Ca 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 1rxs s VAL 1192Cb 0.00 -3.27 -0.34 0.00 0.00 0.00 0.00 36.38 32.77 1rxs s VAL 1192CO 0.00 0.07 0.89 0.24 0.00 0.00 0.00 175.10 176.31 1rxs h MET 1193N 4.72 0.49 -2.53 2.72 0.00 -1.14 -3.42 114.93 115.77 1rxs h MET 1193Ca -0.47 -0.83 0.15 0.00 0.00 0.00 0.00 59.70 58.54 1rxs h MET 1193Cb 1.22 0.31 -0.07 0.00 0.00 0.00 0.00 31.60 33.06 1rxs h MET 1193CO 0.76 1.40 0.41 0.54 0.00 0.00 0.00 176.91 180.02 1rxs s ASN 1194N -7.48 -0.21 -0.08 1.22 4.22 -1.26 -0.92 114.94 110.44 1rxs s ASN 1194Ca -0.11 -0.45 0.02 0.00 -2.14 0.00 0.00 52.86 50.17 1rxs s ASN 1194Cb 0.05 0.55 -0.02 0.00 1.28 0.00 0.00 41.25 43.11 1rxs s ASN 1194CO 0.92 -1.02 -0.11 -0.31 -2.04 0.00 0.00 177.10 174.53 1rxs s TYR 1195N -3.46 2.81 0.14 1.54 1.51 -0.96 -0.65 117.35 118.28 1rxs s TYR 1195Ca 0.12 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1rxs s TYR 1195Cb -0.03 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1rxs s TYR 1195CO 0.03 0.11 0.21 -0.85 -1.11 0.00 0.00 175.55 173.95 1rxs n GLU 1196N 2.66 0.30 -0.00 -0.62 -0.00 -0.72 -3.54 120.64 118.72 1rxs n GLU 1196Ca -0.18 -1.12 0.00 0.00 -0.00 0.00 0.00 57.16 55.87 1rxs n GLU 1196Cb 0.52 1.10 0.00 0.00 -0.00 0.00 0.00 31.44 33.07 1rxs n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 1197N -0.23 2.06 0.00 3.44 2.81 -1.26 -0.58 117.12 123.36 1rxs n MET 1197Ca -0.00 -1.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1rxs n MET 1197Cb 0.24 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 1rxs n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 1198N -0.35 3.62 -0.00 0.03 4.71 -1.26 -3.38 120.64 124.00 1rxs n GLU 1198Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1rxs n GLU 1198Cb 0.33 -0.68 0.12 0.00 -1.01 0.00 0.00 31.44 30.20 1rxs n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 1199N 0.00 0.58 -0.25 1.62 4.64 -1.94 -1.42 113.55 116.77 1rxs h SER 1199Ca 0.00 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1rxs h SER 1199Cb 0.04 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1rxs h SER 1199CO 0.00 0.91 0.12 0.00 -0.87 0.00 0.00 176.83 176.99 1rxs h ALA 1200N 1.12 0.30 0.23 5.18 0.00 -1.87 0.45 119.26 124.68 1rxs h ALA 1200Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 1200Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1rxs h ALA 1200CO 0.08 -0.28 -0.11 1.15 0.00 0.00 0.00 179.25 180.09 1rxs h THR 1201N 0.26 0.80 0.09 0.00 2.02 -1.86 -1.84 112.91 112.37 1rxs h THR 1201Ca 0.10 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1rxs h THR 1201Cb 0.03 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1rxs h THR 1201CO -0.08 0.03 -0.18 0.25 0.37 0.00 0.00 175.52 175.91 1rxs h LEU 1202N -0.38 -0.52 -0.51 2.58 5.85 -0.88 -0.43 115.31 121.02 1rxs h LEU 1202Ca -0.03 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1rxs h LEU 1202Cb 0.29 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1rxs h LEU 1202CO 0.05 -0.26 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.69 1rxs h LEU 1203N -0.35 1.00 -0.20 2.25 3.38 -0.13 -1.84 115.31 119.42 1rxs h LEU 1203Ca 0.03 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1rxs h LEU 1203Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1rxs h LEU 1203CO -0.11 1.14 -0.04 0.74 0.09 0.00 0.00 178.44 180.25 1rxs h THR 1204N 0.86 1.28 -0.30 0.22 2.02 -1.21 0.11 112.91 115.89 1rxs h THR 1204Ca 0.13 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.22 1rxs h THR 1204Cb 0.70 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1rxs h THR 1204CO 0.05 0.30 -0.18 0.00 0.37 0.00 0.00 175.52 176.06 1rxs h MET 1205N 0.11 0.55 -0.06 6.66 -0.00 -0.98 -1.90 114.93 119.31 1rxs h MET 1205Ca 0.05 -0.19 -0.10 0.00 -0.00 0.00 0.00 59.70 59.47 1rxs h MET 1205Cb 0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1rxs h MET 1205CO 0.02 0.71 -0.35 0.00 -0.00 0.00 0.00 176.91 177.29 1rxs h ALA 1207N 0.41 1.70 -0.54 0.00 0.00 -0.65 -0.80 119.26 119.38 1rxs h ALA 1207Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 1207Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1rxs h ALA 1207CO 0.07 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1rxs n SER 1208N -4.13 3.66 -0.17 0.00 3.41 -0.73 -4.32 113.62 111.34 1rxs n SER 1208Ca -0.03 -1.99 0.01 0.00 -0.26 0.00 0.00 58.87 56.60 1rxs n SER 1208Cb 0.10 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1rxs n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 1209N 1.52 0.58 -1.19 4.33 6.02 -0.73 -5.00 117.38 122.90 1rxs n GLN 1209Ca 0.21 -1.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.09 1rxs n GLN 1209Cb 0.60 -0.69 -0.03 0.00 1.02 0.00 0.00 30.24 31.15 1rxs n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1210N -0.24 0.88 3.89 1.08 0.00 -1.06 -5.02 105.19 104.72 1rxs n GLY 1210Ca 0.02 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1rxs n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1211N -1.51 4.37 -0.11 0.99 1.43 -0.38 -5.05 118.68 118.41 1rxs s LEU 1211Ca 0.00 0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 53.40 1rxs s LEU 1211Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1rxs s LEU 1211CO 0.00 0.25 0.53 -0.13 0.23 0.00 0.00 176.35 177.24 1rxs s ARG 1212N -1.83 4.36 0.03 1.70 0.52 -0.43 -3.97 118.95 119.33 1rxs s ARG 1212Ca 0.28 0.55 0.02 0.00 -0.52 0.00 0.00 55.73 56.06 1rxs s ARG 1212Cb -0.13 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1rxs s ARG 1212CO 0.17 0.12 -0.08 0.00 0.02 0.00 0.00 175.30 175.53 1rxs s ALA 1213N 0.72 0.61 0.07 2.13 0.00 -1.26 0.07 121.76 124.11 1rxs s ALA 1213Ca 0.29 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1rxs s ALA 1213Cb -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1rxs s ALA 1213CO 0.12 0.04 -0.02 0.20 0.00 0.00 0.00 175.76 176.10 1rxs s GLY 1214N -1.20 0.62 -0.02 0.00 0.00 -0.30 -0.34 107.32 106.08 1rxs s GLY 1214Ca -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1rxs s GLY 1214CO 0.00 -1.35 0.01 1.06 0.00 0.00 0.00 173.10 172.82 1rxs s MET 1215N -3.93 0.15 -0.01 2.90 -1.94 -1.26 -1.14 119.30 114.07 1rxs s MET 1215Ca 0.11 0.08 -0.00 0.00 -1.71 0.00 0.00 55.69 54.17 1rxs s MET 1215Cb 0.08 -0.33 0.01 0.00 2.01 0.00 0.00 34.83 36.60 1rxs s MET 1215CO -0.07 -0.11 0.02 0.54 -0.01 0.00 0.00 175.02 175.39 1rxs s VAL 1216N 0.79 -0.01 0.03 -6.03 0.11 -0.27 -2.27 120.40 112.76 1rxs s VAL 1216Ca -0.07 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1rxs s VAL 1216Cb -0.11 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 1rxs s VAL 1216CO -0.02 0.01 0.02 0.00 -3.33 0.00 0.00 175.10 171.79 1rxs s ALA 1217N 0.17 0.09 -0.09 1.54 0.00 -0.22 -0.83 121.76 122.41 1rxs s ALA 1217Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1rxs s ALA 1217Cb -0.02 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1rxs s ALA 1217CO -0.00 -0.25 0.22 0.20 0.00 0.00 0.00 175.76 175.93 1rxs s GLY 1218N -1.90 2.26 -0.34 0.00 0.00 -0.85 -0.20 107.32 106.29 1rxs s GLY 1218Ca -0.09 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1rxs s GLY 1218CO -0.03 -0.19 1.08 0.14 0.00 0.00 0.00 173.10 174.09 1rxs s VAL 1219N -0.99 4.48 -0.04 1.40 1.01 -0.83 -1.55 120.40 123.88 1rxs s VAL 1219Ca 0.18 1.67 0.19 0.00 0.00 0.00 0.00 61.98 64.02 1rxs s VAL 1219Cb -0.13 -4.44 -0.30 0.00 0.00 0.00 0.00 36.38 31.51 1rxs s VAL 1219CO 0.07 -0.54 0.39 2.30 0.00 0.00 0.00 175.10 177.32 1rxs n ILE 1220N 5.98 0.13 -3.75 2.22 -5.35 -0.23 -1.71 119.36 116.64 1rxs n ILE 1220Ca 0.12 -0.48 -0.11 0.00 -0.27 0.00 0.00 62.75 62.00 1rxs n ILE 1220Cb 0.47 -0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.30 1rxs n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 1221N -3.27 0.08 -0.22 7.28 0.11 -1.23 -4.96 120.40 118.20 1rxs s VAL 1221Ca -0.07 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1rxs s VAL 1221Cb 0.12 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1rxs s VAL 1221CO 0.81 -0.38 -0.08 0.21 -3.33 0.00 0.00 175.10 172.32 1rxs s ASN 1222N -2.11 4.02 0.29 3.54 3.84 -1.26 -1.19 114.94 122.07 1rxs s ASN 1222Ca -0.04 -0.58 0.24 0.00 0.21 0.00 0.00 52.86 52.68 1rxs s ASN 1222Cb -0.01 -1.66 1.07 0.00 -0.55 0.00 0.00 41.25 40.11 1rxs s ASN 1222CO -0.04 -0.04 1.72 0.54 -2.79 0.00 0.00 177.10 176.48 1rxs n ARG 1223N 4.72 0.19 -0.00 0.43 5.12 0.18 -1.94 116.66 125.36 1rxs n ARG 1223Ca -0.18 0.50 0.06 0.00 -1.93 0.00 0.00 57.85 56.29 1rxs n ARG 1223Cb 0.50 -1.92 0.35 0.00 -1.16 0.00 0.00 32.46 30.22 1rxs n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxs n THR 1224N -2.29 0.01 0.00 0.55 -2.24 -1.26 -3.52 114.28 105.53 1rxs n THR 1224Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1rxs n THR 1224Cb 0.17 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1rxs n THR 1224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxs n GLN 1225N -0.64 3.34 -3.61 -0.78 10.64 -0.82 -5.10 117.38 120.42 1rxs n GLN 1225Ca 0.09 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.10 1rxs n GLN 1225Cb 0.05 -0.68 -0.07 0.00 -0.86 0.00 0.00 30.24 28.69 1rxs n GLN 1225CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1rxs s GLN 1226N -0.85 0.92 -0.10 2.61 -0.21 -1.09 -5.09 119.66 115.86 1rxs s GLN 1226Ca 0.00 0.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.44 1rxs s GLN 1226Cb 0.00 0.43 -0.02 0.00 1.00 0.00 0.00 33.01 34.42 1rxs s GLN 1226CO 0.00 -0.27 -0.12 0.93 -2.12 0.00 0.00 175.29 173.71 1rxs h GLU 1227N 3.34 0.00 -6.00 2.91 5.08 -1.87 -3.33 114.58 114.71 1rxs h GLU 1227Ca -0.28 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 1rxs h GLU 1227Cb 1.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1rxs h GLU 1227CO 0.39 0.00 0.29 0.42 -1.00 0.00 0.00 179.01 179.11 1rxs s ILE 1228N -1.87 4.93 0.05 3.13 -1.09 -1.26 -4.97 121.20 120.12 1rxs s ILE 1228Ca -0.10 1.60 -0.01 0.00 -2.23 0.00 0.00 60.65 59.92 1rxs s ILE 1228Cb 0.01 -4.12 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1rxs s ILE 1228CO 0.15 0.11 0.03 -2.65 -1.23 0.00 0.00 174.94 171.34 1rxs n PRO 1229N 4.68 -1.41 0.00 2.79 -0.02 -1.26 -5.09 135.00 134.69 1rxs n PRO 1229Ca 0.03 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1rxs n PRO 1229Cb 0.50 -0.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1rxs n PRO 1229CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1rxs n MET 1234N -1.76 0.00 0.25 -0.52 0.00 -1.26 -5.07 117.12 108.76 1rxs n MET 1234Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.83 1rxs n MET 1234Cb 0.02 0.00 0.59 0.00 0.00 0.00 0.00 33.22 33.82 1rxs n MET 1234CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1rxs h LYS 1235N 0.00 0.00 0.00 2.12 3.64 -2.01 -2.71 116.57 117.61 1rxs h LYS 1235Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rxs h LYS 1235Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1rxs h LYS 1235CO 0.00 0.15 -0.22 1.96 -2.27 0.00 0.00 179.45 179.08 1rxs h GLN 1236N 0.00 0.00 -0.00 1.90 4.20 -2.03 -2.97 115.11 116.21 1rxs h GLN 1236Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1rxs h GLN 1236Cb 0.59 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.38 1rxs h GLN 1236CO 0.02 0.00 -0.42 1.15 -0.67 0.00 0.00 178.83 178.91 1rxs h THR 1237N 0.00 1.49 0.00 -0.54 2.02 -1.83 -2.76 112.91 111.28 1rxs h THR 1237Ca 0.00 -2.00 -0.09 0.00 0.77 0.00 0.00 66.41 65.09 1rxs h THR 1237Cb 0.77 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1rxs h THR 1237CO 0.00 0.56 -0.45 1.05 0.37 0.00 0.00 175.52 177.05 1rxs h GLU 1238N -0.30 0.00 -0.38 6.66 4.11 -1.65 -2.24 114.58 120.78 1rxs h GLU 1238Ca -0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.39 1rxs h GLU 1238Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1rxs h GLU 1238CO 0.08 0.45 0.25 0.77 0.07 0.00 0.00 179.01 180.63 1rxs h SER 1239N 0.00 0.42 0.14 3.06 0.02 -1.57 0.16 113.55 115.77 1rxs h SER 1239Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1rxs h SER 1239Cb 1.06 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1rxs h SER 1239CO 0.06 0.31 -0.06 0.45 -1.14 0.00 0.00 176.83 176.44 1rxs h HIS 1240N 0.50 -0.17 -0.82 3.45 3.86 -1.12 -2.30 115.15 118.55 1rxs h HIS 1240Ca 0.14 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1rxs h HIS 1240Cb -0.03 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1rxs h HIS 1240CO -0.00 0.29 0.51 0.00 0.86 0.00 0.00 177.93 179.59 1rxs h ALA 1241N -0.08 1.04 -0.39 2.45 0.00 -1.27 0.11 119.26 121.13 1rxs h ALA 1241Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rxs h ALA 1241Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rxs h ALA 1241CO 0.03 0.49 0.12 0.28 0.00 0.00 0.00 179.25 180.18 1rxs h VAL 1242N 1.12 1.21 -0.72 0.00 2.07 -0.77 -0.18 116.25 118.98 1rxs h VAL 1242Ca 0.30 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1rxs h VAL 1242Cb -0.07 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1rxs h VAL 1242CO -0.06 0.25 0.41 0.50 0.02 0.00 0.00 177.57 178.69 1rxs h LYS 1243N 0.49 0.73 -0.44 1.57 3.64 -0.97 -1.54 116.57 120.05 1rxs h LYS 1243Ca 0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1rxs h LYS 1243Cb 0.26 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1rxs h LYS 1243CO -0.00 0.48 0.12 0.82 -2.27 0.00 0.00 179.45 178.59 1rxs h ILE 1244N 0.75 1.23 -0.36 2.00 2.04 -0.19 -1.74 117.51 121.23 1rxs h ILE 1244Ca 0.32 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 1rxs h ILE 1244Cb 0.20 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1rxs h ILE 1244CO -0.19 0.28 -0.23 1.62 0.00 0.00 0.00 178.15 179.63 1rxs h VAL 1245N 0.57 1.27 -0.40 1.67 3.04 -0.59 -1.02 116.25 120.80 1rxs h VAL 1245Ca 0.14 -1.32 -0.09 0.00 -1.01 0.00 0.00 66.70 64.42 1rxs h VAL 1245Cb 0.30 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1rxs h VAL 1245CO -0.00 0.44 -0.10 0.58 -1.01 0.00 0.00 177.57 177.48 1rxs h VAL 1246N 0.61 1.28 -0.23 1.51 2.07 -1.19 -1.20 116.25 119.10 1rxs h VAL 1246Ca 0.09 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1rxs h VAL 1246Cb 0.72 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1rxs h VAL 1246CO 0.06 0.40 -0.16 -0.08 0.02 0.00 0.00 177.57 177.80 1rxs h GLU 1247N 0.58 0.39 -0.36 1.57 4.57 -1.04 -1.06 114.58 119.23 1rxs h GLU 1247Ca 0.10 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1rxs h GLU 1247Cb 0.62 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1rxs h GLU 1247CO 0.04 0.54 -0.31 0.00 -1.18 0.00 0.00 179.01 178.10 1rxs h ALA 1248N 1.48 0.52 -0.31 2.92 0.00 -1.02 -2.79 119.26 120.05 1rxs h ALA 1248Ca 0.07 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1rxs h ALA 1248Cb 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1rxs h ALA 1248CO 0.03 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1rxs h ALA 1249N 0.76 0.30 -0.85 0.00 0.00 -0.61 -0.93 119.26 117.93 1rxs h ALA 1249Ca 0.06 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1rxs h ALA 1249Cb 0.89 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1rxs h ALA 1249CO 0.08 -0.38 0.18 -0.09 0.00 0.00 0.00 179.25 179.04 1rxs h ARG 1250N 0.12 0.18 0.00 0.00 2.43 -1.02 -0.63 114.38 115.47 1rxs h ARG 1250Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1rxs h ARG 1250Cb 0.19 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1rxs h ARG 1250CO -0.23 0.12 0.00 0.54 -1.51 0.00 0.00 179.97 178.89 1rxs n ARG 1251N -5.25 0.10 -0.13 0.20 1.74 -0.41 -3.40 116.66 109.51 1rxs n ARG 1251Ca 0.19 0.15 0.09 0.00 -0.77 0.00 0.00 57.85 57.51 1rxs n ARG 1251Cb 0.63 -1.63 0.16 0.00 -1.02 0.00 0.00 32.46 30.59 1rxs n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxs n LEU 1252N -1.80 2.97 -0.04 0.55 4.77 -0.26 -5.04 117.00 118.14 1rxs n LEU 1252Ca 0.06 -1.46 0.16 0.00 -0.03 0.00 0.00 56.01 54.73 1rxs n LEU 1252Cb 0.33 -0.17 0.91 0.00 -2.33 0.00 0.00 43.42 42.16 1rxs n LEU 1252CO 0.25 0.64 1.09 0.18 -1.33 0.00 0.00 177.39 178.22