#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 -4.25 -3.46 3.32 -0.57 -3.47 116.42 107.99 1rxs h ASP 1005Ca 0.00 -0.15 -0.54 0.00 0.02 0.00 0.00 57.03 56.37 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 0.07 -0.82 0.68 -1.72 0.00 0.00 179.24 177.45 1rxs s VAL 1006N -3.24 1.59 0.27 -1.35 -7.23 -1.22 -5.06 120.40 104.16 1rxs s VAL 1006Ca 0.04 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1rxs s VAL 1006Cb 0.12 -1.44 0.05 0.00 0.56 0.00 0.00 36.38 35.67 1rxs s VAL 1006CO 0.75 -0.03 1.69 0.15 -0.31 0.00 0.00 175.10 177.36 1rxs h PHE 1007N 4.31 0.57 0.00 2.82 3.57 -1.95 -3.33 116.94 122.94 1rxs h PHE 1007Ca -0.44 -0.13 -0.32 0.00 3.53 0.00 0.00 57.97 60.60 1rxs h PHE 1007Cb 1.18 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1rxs h PHE 1007CO 0.59 0.74 -2.15 0.72 -2.23 0.00 0.00 178.31 175.98 1rxs n HIS 1008N -4.10 0.00 0.27 0.41 8.25 -1.26 -4.68 115.22 114.11 1rxs n HIS 1008Ca -0.01 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.61 1rxs n HIS 1008Cb 0.43 -0.76 0.64 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.32 0.00 -1.48 2.41 3.38 -1.93 -3.45 115.31 113.92 1rxs h LEU 1009Ca -0.48 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.14 1rxs h LEU 1009Cb 1.60 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.51 1rxs h LEU 1009CO -0.18 0.04 -0.75 0.61 0.09 0.00 0.00 178.44 178.25 1rxs n GLY 1010N 0.06 -0.40 3.41 0.83 0.00 -1.25 -4.67 105.19 103.17 1rxs n GLY 1010Ca 0.01 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -6.57 2.54 0.16 0.99 1.43 -1.26 -4.78 118.68 111.18 1rxs s LEU 1011Ca 0.13 -1.11 0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1rxs s LEU 1011Cb -0.06 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1rxs s LEU 1011CO 0.73 -0.22 -0.22 0.42 0.23 0.00 0.00 176.35 177.28 1rxs s THR 1012N -2.91 2.08 0.35 5.49 -4.23 -1.26 0.26 115.64 115.42 1rxs s THR 1012Ca 0.27 -1.87 0.14 0.00 -1.18 0.00 0.00 61.69 59.05 1rxs s THR 1012Cb 0.01 -1.93 0.35 0.00 1.34 0.00 0.00 72.50 72.27 1rxs s THR 1012CO 0.11 -0.13 1.74 0.50 -0.54 0.00 0.00 174.62 176.30 1rxs h LYS 1013N 3.48 0.48 -0.67 3.99 3.64 -1.96 -0.28 116.57 125.26 1rxs h LYS 1013Ca -0.46 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1rxs h LYS 1013Cb 1.20 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1rxs h LYS 1013CO 0.46 0.32 0.41 -0.97 -2.27 0.00 0.00 179.45 177.40 1rxs h ASN 1014N 0.49 0.68 -0.61 4.20 -0.73 -1.95 -2.68 115.58 114.97 1rxs h ASN 1014Ca 0.63 0.00 0.18 0.00 1.87 0.00 0.00 56.30 58.98 1rxs h ASN 1014Cb 1.38 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.80 1rxs h ASN 1014CO -0.41 0.47 0.45 0.44 -0.37 0.00 0.00 177.43 178.01 1rxs h ASP 1015N 0.81 0.00 1.74 1.15 3.32 -1.44 -1.51 116.42 120.49 1rxs h ASP 1015Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1rxs h ASP 1015Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1rxs h ASP 1015CO -0.11 0.00 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.25 1rxs h LEU 1016N 0.00 0.00 -1.11 1.55 4.07 -1.53 -3.48 115.31 114.81 1rxs h LEU 1016Ca 0.29 -0.01 -0.55 0.00 0.08 0.00 0.00 57.88 57.69 1rxs h LEU 1016Cb 1.18 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.71 1rxs h LEU 1016CO -0.00 0.00 -0.83 0.00 -1.08 0.00 0.00 178.44 176.53 1rxs n GLN 1017N -2.81 -3.17 -0.83 1.13 6.02 -0.57 -1.26 117.38 115.88 1rxs n GLN 1017Ca 0.04 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1rxs n GLN 1017Cb 0.50 -5.09 0.00 0.00 1.02 0.00 0.00 30.24 26.67 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 -1.41 0.58 3.70 1.08 0.00 -1.26 -4.79 105.19 103.10 1rxs n GLY 1018Ca 0.07 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.50 1.32 -0.44 4.61 0.00 -0.39 -4.92 120.51 121.20 1rxs n ALA 1019Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1rxs n ALA 1019Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 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 -0.01 0.12 -4.75 0.00 -2.24 -1.26 -4.30 114.28 101.84 1rxs n THR 1020Ca 0.06 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1rxs n THR 1020Cb 0.38 1.28 -0.16 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.12 1.88 -0.05 3.22 0.20 -1.26 0.05 118.68 122.60 1rxs s LEU 1021Ca 0.00 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1rxs s LEU 1021Cb 0.00 -0.90 0.00 0.00 -0.43 0.00 0.00 46.19 44.86 1rxs s LEU 1021CO 0.00 0.13 -0.16 0.00 -0.29 0.00 0.00 176.35 176.03 1rxs s ALA 1022N 0.10 1.45 -0.17 5.97 0.00 -0.08 -1.81 121.76 127.22 1rxs s ALA 1022Ca -0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.11 1rxs s ALA 1022Cb -0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1rxs s ALA 1022CO 0.02 0.24 0.51 0.42 0.00 0.00 0.00 175.76 176.95 1rxs s ILE 1023N 0.18 5.13 -0.53 0.00 1.01 0.36 -0.84 121.20 126.51 1rxs s ILE 1023Ca -0.06 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1rxs s ILE 1023Cb -0.12 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.64 1rxs s ILE 1023CO 0.03 0.23 0.27 0.68 0.00 0.00 0.00 174.94 176.14 1rxs s VAL 1024N 1.27 2.59 0.89 2.92 -7.23 0.13 -1.40 120.40 119.57 1rxs s VAL 1024Ca 0.25 -3.36 -0.13 0.00 -1.81 0.00 0.00 61.98 56.94 1rxs s VAL 1024Cb -0.15 -2.80 0.13 0.00 0.56 0.00 0.00 36.38 34.12 1rxs s VAL 1024CO 0.10 -0.81 1.16 -2.16 -0.31 0.00 0.00 175.10 173.08 1rxs s PRO 1025N -0.34 1.27 -0.05 4.82 0.04 -1.23 -3.37 135.00 136.13 1rxs s PRO 1025Ca 0.17 0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.44 1rxs s PRO 1025Cb -0.25 -1.86 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 1rxs s PRO 1025CO -0.01 -2.09 0.65 0.78 0.04 0.00 0.00 177.00 176.37 1rxs h GLY 1026N -1.42 0.15 -7.40 0.56 0.00 -1.85 -1.51 103.07 91.60 1rxs h GLY 1026Ca -0.49 -0.38 -0.65 0.00 0.00 0.00 0.00 47.33 45.82 1rxs h GLY 1026CO 0.61 0.33 -0.27 -0.35 0.00 0.00 0.00 176.54 176.86 1rxs s ASP 1027N -6.58 6.20 0.44 0.19 3.68 -1.26 -0.77 116.67 118.58 1rxs s ASP 1027Ca -0.10 0.00 0.24 0.00 2.13 0.00 0.00 52.55 54.82 1rxs s ASP 1027Cb 0.07 -2.20 1.24 0.00 -1.45 0.00 0.00 42.92 40.58 1rxs s ASP 1027CO 0.81 -0.27 1.79 1.55 0.13 0.00 0.00 175.17 179.19 1rxs h PRO 1028N 8.34 0.26 0.00 4.34 0.13 -1.90 -0.08 132.00 143.10 1rxs h PRO 1028Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rxs h PRO 1028Cb 1.15 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rxs h PRO 1028CO 0.67 0.17 0.00 -0.44 -0.23 0.00 0.00 178.00 178.17 1rxs h ASP 1029N 0.27 0.00 0.58 1.44 3.32 -1.95 -2.75 116.42 117.33 1rxs h ASP 1029Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1rxs h ASP 1029Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1rxs h ASP 1029CO -0.20 0.00 -0.69 -1.14 -1.72 0.00 0.00 179.24 175.49 1rxs n ARG 1030N -2.44 0.16 0.10 3.56 0.63 -0.05 -4.39 116.66 114.23 1rxs n ARG 1030Ca 0.03 0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.85 1rxs n ARG 1030Cb 0.32 -1.58 -0.08 0.00 0.45 0.00 0.00 32.46 31.57 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 0.91 -0.90 5.15 2.07 -1.45 -2.51 116.25 119.53 1rxs h VAL 1031Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1rxs h VAL 1031Cb 0.63 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1rxs h VAL 1031CO 0.00 0.05 0.51 -0.08 0.02 0.00 0.00 177.57 178.07 1rxs h GLU 1032N -0.28 1.24 -0.58 1.57 4.81 -1.77 -1.13 114.58 118.44 1rxs h GLU 1032Ca -0.02 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1rxs h GLU 1032Cb 0.22 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1rxs h GLU 1032CO 0.03 0.89 0.32 0.87 -0.73 0.00 0.00 179.01 180.39 1rxs h LYS 1033N 1.25 0.59 -0.01 1.92 1.57 -1.75 -0.78 116.57 119.34 1rxs h LYS 1033Ca 0.32 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1rxs h LYS 1033Cb -0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1rxs h LYS 1033CO -0.05 0.39 -0.00 0.82 -0.57 0.00 0.00 179.45 180.03 1rxs h ILE 1034N 0.60 1.29 -0.99 1.86 2.04 -1.02 -3.09 117.51 118.21 1rxs h ILE 1034Ca 0.26 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 65.38 1rxs h ILE 1034Cb 0.14 1.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 1rxs h ILE 1034CO -0.16 0.23 0.62 0.00 0.00 0.00 0.00 178.15 178.84 1rxs h ALA 1035N 0.64 1.57 0.00 1.87 0.00 -1.08 -1.78 119.26 120.49 1rxs h ALA 1035Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 1035Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rxs h ALA 1035CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1rxs h ALA 1036N 1.55 1.00 -0.00 0.00 0.00 -1.05 0.40 119.26 121.16 1rxs h ALA 1036Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1rxs h ALA 1036Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rxs h ALA 1036CO -0.26 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.21 1rxs n LEU 1037N -2.70 0.19 0.00 0.00 4.32 -0.67 -4.86 117.00 113.28 1rxs n LEU 1037Ca -0.02 0.17 -0.23 0.00 -0.02 0.00 0.00 56.01 55.91 1rxs n LEU 1037Cb 0.08 -0.25 -0.02 0.00 -1.62 0.00 0.00 43.42 41.61 1rxs n LEU 1037CO 0.16 0.04 -0.04 0.23 -1.22 0.00 0.00 177.39 176.55 1rxs n MET 1038N -1.17 0.90 -3.19 3.23 2.81 0.13 -5.14 117.12 114.69 1rxs n MET 1038Ca 0.14 -2.87 -0.32 0.00 -1.81 0.00 0.00 57.70 52.83 1rxs n MET 1038Cb 0.26 0.50 -0.06 0.00 -0.71 0.00 0.00 33.22 33.21 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 -3.48 6.73 -1.33 7.83 -0.00 -0.27 -4.52 116.67 121.63 1rxs s ASP 1039Ca 0.15 1.19 -0.12 0.00 -0.00 0.00 0.00 52.55 53.78 1rxs s ASP 1039Cb -0.01 -2.34 0.01 0.00 -0.00 0.00 0.00 42.92 40.58 1rxs s ASP 1039CO 0.10 -0.18 0.48 0.29 -0.00 0.00 0.00 175.17 175.86 1rxs n LYS 1040N -0.35 -1.80 -2.21 8.23 5.02 -1.26 -0.28 118.16 125.51 1rxs n LYS 1040Ca 0.03 0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 56.20 1rxs n LYS 1040Cb 0.53 -3.88 -0.03 0.00 -0.02 0.00 0.00 35.03 31.63 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 -6.74 4.35 -0.03 1.97 0.04 -1.26 -4.41 135.00 128.92 1rxs s PRO 1041Ca 0.21 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1rxs s PRO 1041Cb -0.09 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1rxs s PRO 1041CO 0.92 -0.36 0.00 0.08 0.04 0.00 0.00 177.00 177.68 1rxs s VAL 1042N 0.80 0.20 0.09 -0.36 1.01 0.37 -5.00 120.40 117.51 1rxs s VAL 1042Ca 0.61 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 1rxs s VAL 1042Cb -0.36 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1rxs s VAL 1042CO 0.32 0.16 1.43 -0.75 0.00 0.00 0.00 175.10 176.26 1rxs s LYS 1043N 1.13 4.29 -0.24 2.72 2.20 -1.26 -1.06 119.74 127.52 1rxs s LYS 1043Ca -0.08 2.10 -0.16 0.00 -0.36 0.00 0.00 55.97 57.46 1rxs s LYS 1043Cb -0.13 -3.35 -0.12 0.00 -1.51 0.00 0.00 37.83 32.72 1rxs s LYS 1043CO -0.02 -0.51 -0.20 1.28 -0.36 0.00 0.00 175.35 175.54 1rxs n LEU 1044N 4.42 1.92 -3.58 5.43 4.77 0.48 -4.91 117.00 125.52 1rxs n LEU 1044Ca 0.12 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.39 1rxs n LEU 1044Cb 0.42 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1044CO 0.59 0.29 0.49 0.00 -1.33 0.00 0.00 177.39 177.43 1rxs s ALA 1045N -2.55 -1.53 -0.26 -1.18 0.00 -1.03 -5.01 121.76 110.20 1rxs s ALA 1045Ca -0.33 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1rxs s ALA 1045Cb 0.10 0.79 0.14 0.00 0.00 0.00 0.00 23.12 24.15 1rxs s ALA 1045CO 0.49 -0.86 0.41 0.45 0.00 0.00 0.00 175.76 176.25 1rxs s SER 1046N -2.78 0.03 -0.04 0.00 0.15 -1.26 -0.98 113.70 108.83 1rxs s SER 1046Ca 0.05 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.93 1rxs s SER 1046Cb -0.02 1.26 0.03 0.00 -1.71 0.00 0.00 66.02 65.57 1rxs s SER 1046CO -0.06 -0.30 0.09 -1.00 1.20 0.00 0.00 173.24 173.17 1rxs s HIS 1047N 2.59 -0.08 0.00 3.44 3.76 -0.19 -5.00 115.29 119.81 1rxs s HIS 1047Ca 0.13 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1rxs s HIS 1047Cb -0.15 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1rxs s HIS 1047CO -0.18 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 1rxs n ARG 1048N 3.79 0.00 -0.04 1.40 1.74 -1.26 0.13 116.66 122.42 1rxs n ARG 1048Ca -0.22 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1rxs n ARG 1048Cb 0.54 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 32.38 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 1.34 -3.33 5.56 0.00 -1.26 -4.74 120.64 132.21 1rxs n GLU 1049Ca 0.00 -0.52 -0.46 0.00 0.00 0.00 0.00 57.16 56.18 1rxs n GLU 1049Cb 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 31.44 30.08 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 -1.88 3.25 -0.14 -1.84 0.40 0.12 -4.07 117.98 113.82 1rxs s PHE 1050Ca 0.27 -1.18 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1rxs s PHE 1050Cb 0.13 -3.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.02 1rxs s PHE 1050CO 0.21 -0.96 -0.04 0.99 0.70 0.00 0.00 175.22 176.12 1rxs s THR 1051N 1.62 3.89 -0.10 0.64 2.01 -1.26 -1.03 115.64 121.41 1rxs s THR 1051Ca 0.03 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1rxs s THR 1051Cb -0.28 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1rxs s THR 1051CO 0.04 0.52 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.46 1rxs s THR 1052N 0.07 1.41 0.16 -0.82 2.01 -0.15 -1.55 115.64 116.77 1rxs s THR 1052Ca -0.00 -0.60 0.11 0.00 0.31 0.00 0.00 61.69 61.51 1rxs s THR 1052Cb -0.13 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1rxs s THR 1052CO 0.03 0.42 -0.23 0.26 -0.69 0.00 0.00 174.62 174.41 1rxs s TRP 1053N 0.93 2.36 0.00 4.92 0.52 0.64 -0.39 118.94 127.93 1rxs s TRP 1053Ca -0.08 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.74 1rxs s TRP 1053Cb -0.15 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1rxs s TRP 1053CO -0.00 0.43 -0.10 0.50 0.02 0.00 0.00 176.95 177.79 1rxs s ARG 1054N -2.41 2.44 0.00 4.98 3.52 -0.22 -0.36 118.95 126.91 1rxs s ARG 1054Ca 0.18 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1rxs s ARG 1054Cb -0.09 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1rxs s ARG 1054CO 0.09 0.59 0.00 0.00 -0.81 0.00 0.00 175.30 175.17 1rxs n ALA 1055N 1.69 0.00 -2.99 6.12 0.00 0.06 -0.48 120.51 124.90 1rxs n ALA 1055Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 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 -1.64 0.41 -0.08 0.00 2.12 0.62 -0.65 118.70 119.48 1rxs s GLU 1056Ca 0.00 -0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 1rxs s GLU 1056Cb 0.00 -0.43 0.03 0.00 0.26 0.00 0.00 34.13 33.99 1rxs s GLU 1056CO 0.00 0.05 0.01 -1.17 -0.54 0.00 0.00 175.26 173.61 1rxs s LEU 1057N 0.15 0.59 -1.47 2.70 2.96 0.43 -1.11 118.68 122.93 1rxs s LEU 1057Ca -0.01 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1rxs s LEU 1057Cb -0.05 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.22 1rxs s LEU 1057CO -0.00 -0.21 0.19 0.47 -1.32 0.00 0.00 176.35 175.48 1rxs n ASP 1058N 5.15 0.05 0.00 3.68 8.00 -1.26 -1.31 116.55 130.86 1rxs n ASP 1058Ca -0.07 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1rxs n ASP 1058Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 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 -2.36 0.20 3.49 0.44 0.00 -1.26 -5.00 105.19 100.70 1rxs n GLY 1059Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.21 2.91 0.29 1.61 1.02 -0.43 -5.09 119.74 118.85 1rxs s LYS 1060Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 1rxs s LYS 1060Cb 0.00 -2.57 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1rxs s LYS 1060CO 0.00 0.51 1.29 -1.25 -0.92 0.00 0.00 175.35 174.98 1rxs s PRO 1061N -0.41 4.40 0.01 -1.68 0.04 -1.26 -0.43 135.00 135.67 1rxs s PRO 1061Ca 0.05 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1rxs s PRO 1061Cb -0.12 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1rxs s PRO 1061CO 0.02 -0.16 -0.05 0.08 0.04 0.00 0.00 177.00 176.94 1rxs s VAL 1062N -0.84 0.35 -0.07 -0.36 1.01 0.18 -4.38 120.40 116.29 1rxs s VAL 1062Ca 0.50 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1rxs s VAL 1062Cb -0.38 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1rxs s VAL 1062CO 0.48 -0.14 0.07 -0.63 0.00 0.00 0.00 175.10 174.88 1rxs s ILE 1063N -0.68 4.84 -0.13 2.22 -1.09 -0.75 -0.76 121.20 124.84 1rxs s ILE 1063Ca -0.04 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1rxs s ILE 1063Cb -0.05 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 1rxs s ILE 1063CO -0.00 0.53 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.32 1rxs s VAL 1064N -1.03 2.06 -0.11 2.92 1.01 0.52 -0.49 120.40 125.28 1rxs s VAL 1064Ca 0.17 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1rxs s VAL 1064Cb -0.12 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1rxs s VAL 1064CO 0.07 0.55 0.24 0.00 0.00 0.00 0.00 175.10 175.95 1rxs s SER 1066N 1.84 7.20 0.03 0.00 1.04 -0.59 -3.58 113.70 119.63 1rxs s SER 1066Ca -0.04 1.86 0.22 0.00 0.48 0.00 0.00 55.95 58.47 1rxs s SER 1066Cb -0.11 -2.58 -0.24 0.00 0.10 0.00 0.00 66.02 63.19 1rxs s SER 1066CO -0.08 -0.17 0.65 0.35 0.98 0.00 0.00 173.24 174.97 1rxs n THR 1067N 0.33 0.14 -0.78 2.02 -2.24 -0.57 -4.39 114.28 108.79 1rxs n THR 1067Ca 0.03 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1rxs n THR 1067Cb 0.50 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.26 -2.16 3.71 3.38 0.00 0.05 -3.46 105.19 107.97 1rxs n GLY 1068Ca -0.02 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.06 4.97 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.54 1rxs s ILE 1069Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1rxs s ILE 1069Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1rxs s ILE 1069CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1rxs n GLY 1070N 3.05 1.50 0.16 6.18 0.00 -1.26 -4.60 105.19 110.23 1rxs n GLY 1070Ca 0.02 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 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 0.48 0.66 -0.02 0.00 -1.87 -2.13 103.07 100.19 1rxs h GLY 1071Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1rxs h GLY 1071CO 0.00 0.02 -0.02 -2.55 0.00 0.00 0.00 176.54 173.99 1rxs h PRO 1072N 0.28 0.04 -0.04 4.80 0.11 -1.94 0.33 132.00 135.58 1rxs h PRO 1072Ca 0.18 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1rxs h PRO 1072Cb 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1rxs h PRO 1072CO -0.18 0.03 -0.58 0.66 -0.21 0.00 0.00 178.00 177.71 1rxs h SER 1073N 0.04 0.16 -0.60 -2.05 4.64 -1.79 -2.73 113.55 111.22 1rxs h SER 1073Ca 0.10 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rxs h SER 1073Cb 0.13 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1rxs h SER 1073CO -0.18 0.71 0.36 0.74 -0.87 0.00 0.00 176.83 177.59 1rxs h THR 1074N 0.11 1.18 -0.06 2.95 2.02 -0.67 -2.29 112.91 116.14 1rxs h THR 1074Ca -0.00 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1rxs h THR 1074Cb 1.06 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1rxs h THR 1074CO 0.08 0.18 -0.17 0.77 0.37 0.00 0.00 175.52 176.76 1rxs h SER 1075N 0.81 0.08 0.06 4.18 4.64 -0.08 0.02 113.55 123.27 1rxs h SER 1075Ca 0.21 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1rxs h SER 1075Cb -0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1rxs h SER 1075CO -0.04 0.26 -0.03 0.40 -0.87 0.00 0.00 176.83 176.55 1rxs h ILE 1076N 0.08 1.21 -0.33 0.95 2.04 -1.16 -2.04 117.51 118.27 1rxs h ILE 1076Ca 0.02 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1rxs h ILE 1076Cb 0.35 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1rxs h ILE 1076CO 0.02 0.24 0.13 0.00 0.00 0.00 0.00 178.15 178.55 1rxs h ALA 1077N 0.36 0.38 0.02 1.87 0.00 -1.01 -1.53 119.26 119.35 1rxs h ALA 1077Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rxs h ALA 1077Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rxs h ALA 1077CO 0.01 -0.26 -0.01 0.28 0.00 0.00 0.00 179.25 179.28 1rxs h VAL 1078N 0.29 1.09 -0.22 0.00 2.07 -1.06 -0.44 116.25 117.98 1rxs h VAL 1078Ca 0.14 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1rxs h VAL 1078Cb 0.09 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1rxs h VAL 1078CO -0.13 0.09 -0.07 -0.08 0.02 0.00 0.00 177.57 177.40 1rxs h GLU 1079N -0.17 -0.02 -0.21 1.57 4.57 -1.26 0.39 114.58 119.45 1rxs h GLU 1079Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1rxs h GLU 1079Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1rxs h GLU 1079CO 0.00 -0.01 -0.54 0.93 -1.18 0.00 0.00 179.01 178.21 1rxs h GLU 1080N -0.02 0.61 -0.83 1.92 5.08 -1.24 -1.15 114.58 118.95 1rxs h GLU 1080Ca 0.11 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1rxs h GLU 1080Cb 0.18 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1rxs h GLU 1080CO -0.23 0.99 0.48 -0.07 -1.00 0.00 0.00 179.01 179.17 1rxs h LEU 1081N 0.47 1.02 -0.83 1.33 3.38 -0.84 -2.34 115.31 117.49 1rxs h LEU 1081Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1rxs h LEU 1081Cb 1.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1rxs h LEU 1081CO 0.10 0.81 0.39 0.00 0.09 0.00 0.00 178.44 179.83 1rxs h ALA 1082N 1.26 1.07 -0.57 1.53 0.00 -0.41 -0.65 119.26 121.48 1rxs h ALA 1082Ca 0.30 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1rxs h ALA 1082Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1rxs h ALA 1082CO -0.05 0.65 0.38 1.96 0.00 0.00 0.00 179.25 182.19 1rxs h GLN 1083N 1.19 0.61 -0.01 0.00 4.20 -0.91 -2.10 115.11 118.09 1rxs h GLN 1083Ca 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1rxs h GLN 1083Cb 0.13 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1rxs h GLN 1083CO -0.03 0.41 -0.01 1.28 -0.67 0.00 0.00 178.83 179.80 1rxs n LEU 1084N -4.47 1.10 0.00 1.46 4.77 -0.33 -4.91 117.00 114.62 1rxs n LEU 1084Ca 0.07 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1rxs n LEU 1084Cb 0.16 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1rxs n LEU 1084CO 0.35 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1rxs n GLY 1085N 1.14 1.25 3.73 -0.72 0.00 -0.77 -4.82 105.19 105.00 1rxs n GLY 1085Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.13 0.00 -0.61 -1.09 -0.73 -4.52 121.20 115.38 1rxs s ILE 1086Ca 0.00 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1rxs s ILE 1086Cb 0.00 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1rxs s ILE 1086CO 0.00 0.10 0.00 0.54 -1.23 0.00 0.00 174.94 174.35 1rxs n ARG 1087N 3.30 5.71 -4.45 2.79 5.12 0.11 -4.25 116.66 124.98 1rxs n ARG 1087Ca 0.09 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.78 1rxs n ARG 1087Cb 0.42 -0.43 -0.16 0.00 -1.16 0.00 0.00 32.46 31.13 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 -0.85 0.93 -0.14 0.55 2.01 -0.73 -1.31 115.64 116.11 1rxs s THR 1088Ca 0.00 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1rxs s THR 1088Cb 0.00 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1rxs s THR 1088CO 0.00 0.31 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.70 1rxs s PHE 1089N 0.69 2.32 -0.24 4.92 0.08 0.17 -0.90 117.98 125.03 1rxs s PHE 1089Ca -0.13 -1.21 -0.01 0.00 0.12 0.00 0.00 56.93 55.70 1rxs s PHE 1089Cb -0.15 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1rxs s PHE 1089CO 0.02 -0.61 -0.08 -0.51 -0.10 0.00 0.00 175.22 173.95 1rxs s LEU 1090N 1.10 3.06 -0.07 -0.37 1.43 -0.02 -1.33 118.68 122.48 1rxs s LEU 1090Ca -0.02 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 1rxs s LEU 1090Cb -0.14 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1rxs s LEU 1090CO -0.05 -0.11 0.51 -0.60 0.23 0.00 0.00 176.35 176.33 1rxs s ARG 1091N 1.32 4.28 -0.13 1.70 3.52 -0.46 0.18 118.95 129.37 1rxs s ARG 1091Ca 0.01 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1rxs s ARG 1091Cb -0.16 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1rxs s ARG 1091CO -0.05 0.29 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.04 1rxs s ILE 1092N 0.16 1.77 0.34 4.11 1.10 -1.22 -1.00 121.20 126.46 1rxs s ILE 1092Ca 0.28 -0.80 0.05 0.00 -0.51 0.00 0.00 60.65 59.67 1rxs s ILE 1092Cb -0.16 -1.59 -0.02 0.00 0.15 0.00 0.00 42.46 40.83 1rxs s ILE 1092CO 0.13 0.49 0.33 -0.83 -2.11 0.00 0.00 174.94 172.96 1rxs s GLY 1093N 0.94 2.18 0.13 1.50 0.00 -0.38 -4.08 107.32 107.61 1rxs s GLY 1093Ca -0.06 -1.97 0.07 0.00 0.00 0.00 0.00 44.72 42.77 1rxs s GLY 1093CO -0.03 -1.37 -0.09 -0.51 0.00 0.00 0.00 173.10 171.11 1rxs s THR 1094N -3.30 3.36 0.13 0.90 -4.23 -1.26 -1.61 115.64 109.63 1rxs s THR 1094Ca 0.39 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 59.40 1rxs s THR 1094Cb 0.02 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.27 1rxs s THR 1094CO 0.27 0.05 0.35 0.28 -0.54 0.00 0.00 174.62 175.03 1rxs s THR 1095N -1.35 0.08 -0.20 3.99 -1.32 -0.71 -4.89 115.64 111.23 1rxs s THR 1095Ca 0.23 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1rxs s THR 1095Cb -0.10 -1.36 -0.01 0.00 -1.51 0.00 0.00 72.50 69.52 1rxs s THR 1095CO 0.14 -0.37 -0.06 -0.83 -2.21 0.00 0.00 174.62 171.30 1rxs s GLY 1096N -2.85 1.60 0.46 6.08 0.00 -1.24 -1.12 107.32 110.26 1rxs s GLY 1096Ca 0.06 -1.11 -0.21 0.00 0.00 0.00 0.00 44.72 43.46 1rxs s GLY 1096CO -0.09 0.31 1.05 0.00 0.00 0.00 0.00 173.10 174.38 1rxs s ALA 1097N 1.25 2.93 -0.12 3.20 0.00 -0.43 -2.30 121.76 126.28 1rxs s ALA 1097Ca 0.03 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1rxs s ALA 1097Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1rxs s ALA 1097CO -0.02 -0.32 0.72 0.44 0.00 0.00 0.00 175.76 176.58 1rxs n ILE 1098N -0.72 0.38 -4.02 0.00 -5.35 0.10 -0.57 119.36 109.19 1rxs n ILE 1098Ca 0.08 -0.69 -0.35 0.00 -0.27 0.00 0.00 62.75 61.52 1rxs n ILE 1098Cb 0.51 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.44 3.67 0.58 6.28 -1.52 -1.23 -4.78 119.66 122.22 1rxs s GLN 1099Ca 0.02 -0.29 0.37 0.00 -1.95 0.00 0.00 55.36 53.51 1rxs s GLN 1099Cb 0.01 -3.14 1.70 0.00 -0.22 0.00 0.00 33.01 31.35 1rxs s GLN 1099CO 0.01 0.49 2.10 -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 -2.73 132.00 136.30 1rxs h PRO 1100Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.65 0.00 -0.24 -2.39 -0.23 0.00 0.00 178.00 175.79 1rxs n HIS 1101N -3.06 0.01 -3.27 1.56 1.44 -1.26 -4.80 115.22 105.83 1rxs n HIS 1101Ca -0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 1rxs n HIS 1101Cb 0.23 -0.39 -0.06 0.00 0.12 0.00 0.00 29.99 29.89 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 -3.00 5.16 0.18 0.61 1.01 -1.03 -5.07 121.20 119.05 1rxs s ILE 1102Ca 0.13 1.01 0.06 0.00 0.00 0.00 0.00 60.65 61.85 1rxs s ILE 1102Cb 0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1rxs s ILE 1102CO 0.61 0.29 0.12 0.20 0.00 0.00 0.00 174.94 176.16 1rxs s ASN 1103N 0.74 5.40 0.06 3.58 0.02 -1.26 -4.90 114.94 118.59 1rxs s ASN 1103Ca 0.27 -0.20 -0.33 0.00 -1.02 0.00 0.00 52.86 51.58 1rxs s ASN 1103Cb -0.15 -1.37 -0.12 0.00 0.02 0.00 0.00 41.25 39.63 1rxs s ASN 1103CO 0.11 0.05 1.77 0.52 0.02 0.00 0.00 177.10 179.57 1rxs n VAL 1104N -0.46 0.33 0.00 1.60 0.31 -1.26 -1.10 118.33 117.75 1rxs n VAL 1104Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1rxs n VAL 1104Cb 0.55 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 4.03 2.73 3.79 2.92 0.00 -0.63 -5.01 105.19 113.02 1rxs n GLY 1105Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.50 5.24 -0.12 1.61 -0.00 -0.26 -4.80 116.67 116.85 1rxs s ASP 1106Ca 0.00 1.84 0.00 0.00 -0.00 0.00 0.00 52.55 54.39 1rxs s ASP 1106Cb 0.00 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.37 1rxs s ASP 1106CO 0.00 -1.54 -0.12 -0.69 -0.00 0.00 0.00 175.17 172.82 1rxs s VAL 1107N -2.61 3.14 -0.17 -1.27 1.01 -0.55 -1.67 120.40 118.28 1rxs s VAL 1107Ca 0.63 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1rxs s VAL 1107Cb -0.17 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1rxs s VAL 1107CO 0.45 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 175.29 1rxs s LEU 1108N 0.19 3.16 -0.20 3.92 1.43 0.40 -0.90 118.68 126.68 1rxs s LEU 1108Ca -0.07 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1rxs s LEU 1108Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1rxs s LEU 1108CO 0.05 0.13 0.02 -0.69 0.23 0.00 0.00 176.35 176.09 1rxs s VAL 1109N 0.57 4.17 -0.23 -1.59 1.01 0.04 -1.24 120.40 123.14 1rxs s VAL 1109Ca -0.03 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1rxs s VAL 1109Cb -0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1rxs s VAL 1109CO 0.03 0.42 0.51 -0.89 0.00 0.00 0.00 175.10 175.17 1rxs s THR 1110N 0.94 5.09 0.05 3.92 2.01 -0.99 -1.58 115.64 125.10 1rxs s THR 1110Ca 0.02 0.91 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 1rxs s THR 1110Cb -0.14 -3.83 -0.30 0.00 0.01 0.00 0.00 72.50 68.24 1rxs s THR 1110CO 0.02 0.14 1.07 0.71 -0.69 0.00 0.00 174.62 175.87 1rxs h THR 1111N 5.23 1.40 -2.30 -0.82 1.35 -1.30 -3.40 112.91 113.07 1rxs h THR 1111Ca -0.32 -2.95 0.08 0.00 -0.55 0.00 0.00 66.41 62.67 1rxs h THR 1111Cb 1.15 2.94 -0.16 0.00 -1.73 0.00 0.00 68.15 70.35 1rxs h THR 1111CO 0.73 0.87 0.44 0.00 -0.25 0.00 0.00 175.52 177.31 1rxs s ALA 1112N -2.64 -1.80 0.02 6.62 0.00 -1.26 -0.55 121.76 122.16 1rxs s ALA 1112Ca -0.06 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1rxs s ALA 1112Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1rxs s ALA 1112CO 0.89 -0.65 -0.26 -1.12 0.00 0.00 0.00 175.76 174.63 1rxs s SER 1113N -2.33 3.15 0.05 0.00 0.01 -0.13 -2.03 113.70 112.42 1rxs s SER 1113Ca 0.03 -0.53 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 1rxs s SER 1113Cb -0.01 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.83 1rxs s SER 1113CO -0.08 0.29 1.47 -0.69 0.41 0.00 0.00 173.24 174.64 1rxs s VAL 1114N -0.73 3.40 -1.09 3.43 1.01 0.17 -4.34 120.40 122.25 1rxs s VAL 1114Ca 0.11 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 1rxs s VAL 1114Cb -0.10 -3.56 0.16 0.00 0.00 0.00 0.00 36.38 32.89 1rxs s VAL 1114CO 0.01 0.02 1.29 -0.13 0.00 0.00 0.00 175.10 176.28 1rxs s ARG 1115N 2.12 3.91 -0.50 2.72 0.52 -1.26 -1.60 118.95 124.86 1rxs s ARG 1115Ca 0.67 -2.33 0.02 0.00 -0.52 0.00 0.00 55.73 53.57 1rxs s ARG 1115Cb -0.35 -4.96 0.60 0.00 0.52 0.00 0.00 34.95 30.75 1rxs s ARG 1115CO 0.29 -1.72 1.94 1.28 0.02 0.00 0.00 175.30 177.11 1rxs n LEU 1116N 5.73 6.96 -4.66 2.53 4.77 -0.30 -4.95 117.00 127.08 1rxs n LEU 1116Ca 0.31 -3.76 -0.29 0.00 -0.03 0.00 0.00 56.01 52.23 1rxs n LEU 1116Cb 0.45 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 1rxs n LEU 1116CO 0.56 1.16 -0.27 1.51 -1.33 0.00 0.00 177.39 179.01 1rxs s ASP 1117N -1.40 3.86 -0.21 -1.43 -4.77 -1.21 -1.61 116.67 109.91 1rxs s ASP 1117Ca 0.58 -1.48 0.11 0.00 -3.30 0.00 0.00 52.55 48.46 1rxs s ASP 1117Cb 0.48 -0.04 -0.22 0.00 -1.09 0.00 0.00 42.92 42.05 1rxs s ASP 1117CO 0.08 -0.61 0.01 0.61 0.70 0.00 0.00 175.17 175.95 1rxs n GLY 1118N -1.06 -0.75 0.23 2.12 0.00 -1.26 -4.66 105.19 99.82 1rxs n GLY 1118Ca -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 0.60 1.10 -0.46 4.61 0.00 -1.98 -2.64 119.26 120.49 1rxs h ALA 1119Ca -0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1rxs h ALA 1119Cb 2.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1rxs h ALA 1119CO -0.01 0.56 0.23 0.66 0.00 0.00 0.00 179.25 180.69 1rxs h SER 1120N 0.37 0.56 -0.00 0.00 4.64 -1.85 -0.60 113.55 116.68 1rxs h SER 1120Ca 0.05 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1rxs h SER 1120Cb 0.70 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1rxs h SER 1120CO 0.05 0.47 0.00 -0.07 -0.87 0.00 0.00 176.83 176.42 1rxs h LEU 1121N 0.64 0.00 -0.03 5.97 3.38 -1.59 0.20 115.31 123.88 1rxs h LEU 1121Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1rxs h LEU 1121Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rxs h LEU 1121CO -0.02 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.88 1rxs n HIS 1122N -3.09 0.00 -0.03 1.13 8.25 -0.23 -4.03 115.22 117.22 1rxs n HIS 1122Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1rxs n HIS 1122Cb 0.07 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.31 0.00 -3.78 4.41 3.72 -0.03 -5.07 117.46 115.41 1rxs n PHE 1123Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1rxs n PHE 1123Cb 0.27 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.11 -0.72 1.06 4.37 0.00 -0.69 -5.02 121.76 118.65 1rxs s ALA 1124Ca -0.06 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1rxs s ALA 1124Cb 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 23.12 23.30 1rxs s ALA 1124CO 0.14 -0.23 1.07 -1.25 0.00 0.00 0.00 175.76 175.49 1rxs s PRO 1125N -0.97 -0.06 0.49 0.00 0.04 -1.26 -3.92 135.00 129.32 1rxs s PRO 1125Ca -0.10 0.74 0.16 0.00 0.04 0.00 0.00 61.00 61.83 1rxs s PRO 1125Cb -0.05 -1.66 1.18 0.00 0.04 0.00 0.00 34.50 34.01 1rxs s PRO 1125CO 0.03 -3.12 2.08 1.25 0.04 0.00 0.00 177.00 177.29 1rxs h LEU 1126N -2.18 0.14 -0.62 -3.56 5.85 -1.94 -2.10 115.31 110.90 1rxs h LEU 1126Ca -0.57 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1rxs h LEU 1126Cb 1.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1rxs h LEU 1126CO 0.53 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 176.89 1rxs n GLU 1127N -4.49 0.19 -2.69 1.25 0.00 -1.26 -4.65 120.64 108.99 1rxs n GLU 1127Ca 0.02 0.40 -0.42 0.00 0.00 0.00 0.00 57.16 57.16 1rxs n GLU 1127Cb 0.21 -1.85 -0.03 0.00 0.00 0.00 0.00 31.44 29.78 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 -3.29 3.67 0.06 -1.84 5.36 -0.79 -4.99 117.98 116.16 1rxs s PHE 1128Ca 0.05 1.69 -0.31 0.00 -0.96 0.00 0.00 56.93 57.40 1rxs s PHE 1128Cb 0.09 -3.13 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 1rxs s PHE 1128CO 0.40 -0.08 1.28 -1.25 -1.46 0.00 0.00 175.22 174.11 1rxs s PRO 1129N 0.77 4.37 -1.07 10.12 0.04 -1.26 -4.92 135.00 143.04 1rxs s PRO 1129Ca 0.51 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 63.25 1rxs s PRO 1129Cb -0.22 -3.36 -0.07 0.00 0.04 0.00 0.00 34.50 30.89 1rxs s PRO 1129CO 0.29 -0.36 2.05 0.00 0.04 0.00 0.00 177.00 179.01 1rxs n ALA 1130N 4.20 4.22 -2.81 8.56 0.00 -1.26 -4.80 120.51 128.63 1rxs n ALA 1130Ca 0.10 -3.56 -0.36 0.00 0.00 0.00 0.00 53.44 49.63 1rxs n ALA 1130Cb 0.45 -3.59 -0.08 0.00 0.00 0.00 0.00 19.45 16.23 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 4.35 5.08 0.56 0.00 0.11 -1.26 -0.96 120.40 128.27 1rxs s VAL 1131Ca 0.53 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.47 1rxs s VAL 1131Cb 0.14 -3.21 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1rxs s VAL 1131CO 0.03 0.58 1.03 0.00 -3.33 0.00 0.00 175.10 173.42 1rxs s ALA 1132N -0.72 2.85 0.27 1.54 0.00 0.29 -4.67 121.76 121.31 1rxs s ALA 1132Ca 0.13 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1rxs s ALA 1132Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1rxs s ALA 1132CO 0.03 -0.58 1.43 0.34 0.00 0.00 0.00 175.76 176.98 1rxs s ASP 1133N -2.74 6.63 0.19 0.00 -1.08 0.22 -4.92 116.67 114.97 1rxs s ASP 1133Ca 0.63 2.71 -0.11 0.00 -0.52 0.00 0.00 52.55 55.26 1rxs s ASP 1133Cb -0.14 -2.63 0.10 0.00 -1.46 0.00 0.00 42.92 38.79 1rxs s ASP 1133CO 0.33 -0.70 1.77 0.15 0.52 0.00 0.00 175.17 177.23 1rxs h PHE 1134N 4.66 0.97 -0.54 -5.34 3.04 -1.95 -0.25 116.94 117.54 1rxs h PHE 1134Ca -0.47 -0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.35 1rxs h PHE 1134Cb 1.22 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 1rxs h PHE 1134CO 0.59 0.73 0.02 0.93 -2.02 0.00 0.00 178.31 178.56 1rxs h GLU 1135N 0.92 0.94 -0.17 1.11 5.08 -1.95 -0.18 114.58 120.33 1rxs h GLU 1135Ca 0.23 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1rxs h GLU 1135Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1rxs h GLU 1135CO -0.03 0.95 0.06 0.00 -1.00 0.00 0.00 179.01 178.99 1rxs h THR 1137N 0.10 0.86 0.01 0.00 2.02 -0.95 -0.26 112.91 114.70 1rxs h THR 1137Ca 0.06 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1rxs h THR 1137Cb 0.20 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1rxs h THR 1137CO -0.00 0.04 -0.17 0.74 0.37 0.00 0.00 175.52 176.49 1rxs h THR 1138N 0.20 0.59 -0.97 3.16 2.02 -0.72 0.14 112.91 117.33 1rxs h THR 1138Ca 0.15 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.44 1rxs h THR 1138Cb 0.16 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 1rxs h THR 1138CO -0.19 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.32 1rxs h ALA 1139N 0.63 1.55 -0.26 6.16 0.00 -0.60 0.77 119.26 127.51 1rxs h ALA 1139Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1139Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1rxs h ALA 1139CO -0.15 0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 179.15 1rxs h LEU 1140N 0.99 0.55 -0.64 0.00 3.38 -0.29 -0.03 115.31 119.27 1rxs h LEU 1140Ca 0.47 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1rxs h LEU 1140Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1rxs h LEU 1140CO -0.23 0.83 0.15 0.58 0.09 0.00 0.00 178.44 179.87 1rxs h VAL 1141N 0.26 1.26 -0.13 1.22 2.07 -0.33 -1.80 116.25 118.80 1rxs h VAL 1141Ca 0.06 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.48 1rxs h VAL 1141Cb 0.62 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1rxs h VAL 1141CO 0.04 0.35 -0.59 -0.33 0.02 0.00 0.00 177.57 177.06 1rxs h GLU 1142N 0.94 0.42 -0.41 1.57 5.08 -0.82 -1.64 114.58 119.71 1rxs h GLU 1142Ca 0.20 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1rxs h GLU 1142Cb 0.36 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1rxs h GLU 1142CO 0.00 0.89 0.01 0.00 -1.00 0.00 0.00 179.01 178.91 1rxs h ALA 1143N 1.05 0.55 -0.44 3.43 0.00 -0.83 -1.38 119.26 121.63 1rxs h ALA 1143Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rxs h ALA 1143Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1rxs h ALA 1143CO 0.10 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.91 1rxs h ALA 1144N 0.89 0.55 -0.90 0.00 0.00 -1.22 -2.16 119.26 116.43 1rxs h ALA 1144Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rxs h ALA 1144Cb 0.47 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1rxs h ALA 1144CO 0.02 -0.11 0.59 -0.22 0.00 0.00 0.00 179.25 179.53 1rxs h LYS 1145N 0.47 1.13 0.00 0.00 1.63 -1.13 -1.63 116.57 117.04 1rxs h LYS 1145Ca 0.18 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 1rxs h LYS 1145Cb 0.07 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1rxs h LYS 1145CO -0.11 0.75 -0.21 0.66 -3.45 0.00 0.00 179.45 177.09 1rxs h SER 1146N 1.16 0.00 -0.08 4.20 4.64 -0.62 -2.65 113.55 120.20 1rxs h SER 1146Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1rxs h SER 1146Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1rxs h SER 1146CO -0.09 0.21 0.00 2.30 -0.87 0.00 0.00 176.83 178.37 1rxs n ILE 1147N -3.35 0.15 -1.50 0.95 -6.64 -0.97 -5.01 119.36 102.99 1rxs n ILE 1147Ca 0.00 -0.58 -0.05 0.00 -1.77 0.00 0.00 62.75 60.36 1rxs n ILE 1147Cb 0.43 1.17 -0.01 0.00 -1.44 0.00 0.00 39.64 39.79 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 0.79 0.53 3.77 3.28 0.00 -0.64 -5.03 105.19 107.89 1rxs n GLY 1148Ca 0.09 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.20 3.17 -0.08 4.61 0.00 -1.03 -5.00 121.76 121.23 1rxs s ALA 1149Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1rxs s ALA 1149Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1rxs s ALA 1149CO 0.00 -0.24 1.27 0.95 0.00 0.00 0.00 175.76 177.74 1rxs s THR 1150N -1.51 4.14 -0.01 0.00 -4.23 -1.26 -4.73 115.64 108.04 1rxs s THR 1150Ca 0.55 1.45 0.06 0.00 -1.18 0.00 0.00 61.69 62.57 1rxs s THR 1150Cb -0.25 -3.93 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 1rxs s THR 1150CO 0.32 -0.04 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.27 1rxs s THR 1151N 2.68 1.57 -0.04 3.99 2.01 -1.26 -1.49 115.64 123.09 1rxs s THR 1151Ca 0.58 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.77 1rxs s THR 1151Cb -0.25 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1rxs s THR 1151CO 0.21 0.42 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.31 1rxs s HIS 1152N -0.49 2.39 -0.15 4.92 3.76 -0.07 -4.96 115.29 120.68 1rxs s HIS 1152Ca 0.08 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 1rxs s HIS 1152Cb -0.08 -1.55 0.01 0.00 1.11 0.00 0.00 32.58 32.07 1rxs s HIS 1152CO -0.01 -0.14 -0.20 0.08 -0.85 0.00 0.00 174.74 173.63 1rxs s VAL 1153N -0.36 2.23 -3.09 -0.90 1.01 -1.26 -0.78 120.40 117.26 1rxs s VAL 1153Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1rxs s VAL 1153Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1rxs s VAL 1153CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1rxs n GLY 1154N 4.12 -0.57 3.82 4.51 0.00 -0.61 -4.94 105.19 111.51 1rxs n GLY 1154Ca -0.20 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.56 4.91 -0.01 1.61 1.01 -1.26 -0.76 120.40 122.33 1rxs s VAL 1155Ca 0.00 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.07 1rxs s VAL 1155Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1rxs s VAL 1155CO 0.00 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 1rxs s THR 1156N -1.01 2.35 -0.25 3.92 2.01 -0.86 -0.59 115.64 121.19 1rxs s THR 1156Ca 0.26 -1.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 1rxs s THR 1156Cb -0.18 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1rxs s THR 1156CO 0.16 0.53 0.55 0.00 -0.69 0.00 0.00 174.62 175.16 1rxs s ALA 1157N -0.69 3.59 -0.35 7.40 0.00 -0.17 0.42 121.76 131.96 1rxs s ALA 1157Ca 0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1rxs s ALA 1157Cb -0.10 -2.92 0.06 0.00 0.00 0.00 0.00 23.12 20.16 1rxs s ALA 1157CO 0.00 -0.73 0.12 0.45 0.00 0.00 0.00 175.76 175.60 1rxs s SER 1158N 1.49 5.24 -0.08 0.00 0.15 -0.63 -1.67 113.70 118.19 1rxs s SER 1158Ca 0.23 -1.39 -0.00 0.00 0.70 0.00 0.00 55.95 55.48 1rxs s SER 1158Cb -0.16 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1rxs s SER 1158CO 0.09 -0.38 -0.06 -0.55 1.20 0.00 0.00 173.24 173.54 1rxs s SER 1159N 1.55 4.74 0.00 5.45 0.15 0.36 -1.15 113.70 124.80 1rxs s SER 1159Ca -0.00 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.76 1rxs s SER 1159Cb -0.21 -1.31 0.59 0.00 -1.71 0.00 0.00 66.02 63.38 1rxs s SER 1159CO 0.00 0.33 1.39 0.47 1.20 0.00 0.00 173.24 176.64 1rxs n ASP 1160N 2.43 0.00 -4.21 5.45 10.43 -0.63 -4.33 116.55 125.68 1rxs n ASP 1160Ca -0.18 0.38 -0.15 0.00 2.57 0.00 0.00 54.79 57.40 1rxs n ASP 1160Cb 0.53 -0.43 -0.11 0.00 1.84 0.00 0.00 41.12 42.95 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 -2.87 1.10 -0.02 -3.53 -4.23 -1.26 -5.01 115.64 99.82 1rxs s THR 1161Ca 0.08 -1.75 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1rxs s THR 1161Cb 0.09 -1.51 -0.18 0.00 1.34 0.00 0.00 72.50 72.23 1rxs s THR 1161CO 0.22 -0.55 0.93 0.15 -0.54 0.00 0.00 174.62 174.83 1rxs h PHE 1162N 3.39 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.55 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 0.64 0.89 0.00 0.66 -2.23 0.00 0.00 178.31 178.27 1rxs n TYR 1163N -3.12 0.00 -0.34 0.41 4.02 -1.26 -4.27 117.16 112.61 1rxs n TYR 1163Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.76 1rxs n TYR 1163Cb 0.96 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 40.37 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 1.21 0.00 -0.72 0.13 -1.87 -0.36 132.00 130.39 1rxs h PRO 1164Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1rxs h PRO 1164Cb 0.00 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 30.87 1rxs h PRO 1164CO 0.00 0.82 0.00 0.78 -0.23 0.00 0.00 178.00 179.37 1rxs h GLY 1165N 1.24 0.00 -2.28 1.56 0.00 -1.86 0.25 103.07 101.98 1rxs h GLY 1165Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 1rxs h GLY 1165CO -0.07 0.00 0.06 -1.06 0.00 0.00 0.00 176.54 175.47 1rxs n GLN 1166N -2.55 2.84 -4.18 4.80 6.02 -0.75 -4.92 117.38 118.64 1rxs n GLN 1166Ca 0.01 -3.00 -0.33 0.00 -0.01 0.00 0.00 57.00 53.67 1rxs n GLN 1166Cb 0.22 -1.94 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 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 -0.59 -1.27 -3.29 -1.09 2.13 0.89 -4.95 120.64 112.46 1rxs n GLU 1167Ca 0.30 0.16 -0.38 0.00 0.66 0.00 0.00 57.16 57.90 1rxs n GLU 1167Cb 1.07 -3.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.13 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 -7.19 4.32 -0.00 5.31 0.52 -0.22 -4.98 118.95 116.71 1rxs s ARG 1168Ca 0.11 0.47 0.20 0.00 -0.52 0.00 0.00 55.73 55.98 1rxs s ARG 1168Cb -0.06 -3.46 -0.23 0.00 0.52 0.00 0.00 34.95 31.73 1rxs s ARG 1168CO 0.97 0.10 0.79 0.66 0.02 0.00 0.00 175.30 177.84 1rxs n TYR 1169N 3.85 0.00 -2.80 -0.53 4.01 -1.26 -4.41 117.16 116.02 1rxs n TYR 1169Ca -0.06 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.24 1rxs n TYR 1169Cb 0.51 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.56 5.17 -3.52 7.72 4.64 -1.26 -4.17 116.55 123.57 1rxs n ASP 1170Ca 0.03 -3.00 -0.16 0.00 -1.38 0.00 0.00 54.79 50.29 1rxs n ASP 1170Cb 0.34 -1.57 -0.07 0.00 -1.04 0.00 0.00 41.12 38.78 1rxs n ASP 1170CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxs s THR 1171N 1.56 0.00 0.18 5.18 -4.23 -1.26 -5.02 115.64 112.05 1rxs s THR 1171Ca 0.43 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1rxs s THR 1171Cb 0.00 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.38 1rxs s THR 1171CO 0.01 0.00 1.75 0.22 -0.54 0.00 0.00 174.62 176.06 1rxs h TYR 1172N 2.23 0.31 0.00 3.99 5.03 -1.99 -2.97 116.97 123.57 1rxs h TYR 1172Ca -0.28 0.02 -0.23 0.00 2.58 0.00 0.00 58.73 60.82 1rxs h TYR 1172Cb 1.24 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.41 1rxs h TYR 1172CO 1.29 0.12 -1.37 0.66 -1.32 0.00 0.00 178.16 177.54 1rxs h SER 1173N 0.35 0.00 -0.35 -2.11 4.64 -1.97 -3.48 113.55 110.63 1rxs h SER 1173Ca 0.22 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 1rxs h SER 1173Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1rxs h SER 1173CO -0.21 0.87 -0.14 0.61 -0.87 0.00 0.00 176.83 177.09 1rxs n GLY 1174N 1.44 0.94 3.05 -0.77 0.00 -1.13 -5.01 105.19 103.72 1rxs n GLY 1174Ca -0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.51 0.49 -0.05 1.61 1.70 -1.26 -4.90 118.95 114.03 1rxs s ARG 1175Ca 0.00 -0.91 0.06 0.00 -0.47 0.00 0.00 55.73 54.41 1rxs s ARG 1175Cb 0.00 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 1rxs s ARG 1175CO 0.00 -0.05 -0.22 0.08 -1.08 0.00 0.00 175.30 174.03 1rxs s VAL 1176N -2.49 1.80 0.46 4.99 1.01 -1.26 -4.92 120.40 119.99 1rxs s VAL 1176Ca -0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 1rxs s VAL 1176Cb -0.02 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 1rxs s VAL 1176CO -0.04 0.51 0.95 0.55 0.00 0.00 0.00 175.10 177.07 1rxs n VAL 1177N 2.95 2.59 -0.28 2.92 3.14 -1.26 -4.63 118.33 123.76 1rxs n VAL 1177Ca -0.17 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.80 1rxs n VAL 1177Cb 0.52 -1.10 0.22 0.00 -1.06 0.00 0.00 33.84 32.42 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 1.27 0.12 -0.96 1.45 2.43 -1.99 0.09 114.38 116.79 1rxs h ARG 1178Ca -0.45 -0.01 0.20 0.00 -0.81 0.00 0.00 59.98 58.91 1rxs h ARG 1178Cb 1.35 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 1rxs h ARG 1178CO 0.55 0.08 0.61 1.25 -1.51 0.00 0.00 179.97 180.96 1rxs h HIS 1179N 0.13 0.79 -0.01 2.20 2.76 -2.03 -2.56 115.15 116.42 1rxs h HIS 1179Ca 0.48 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1rxs h HIS 1179Cb 0.92 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1rxs h HIS 1179CO -0.38 0.19 -0.44 1.19 -1.30 0.00 0.00 177.93 177.19 1rxs n PHE 1180N -4.62 0.00 -1.79 5.26 3.01 -0.01 -4.78 117.46 114.52 1rxs n PHE 1180Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1rxs n PHE 1180Cb 0.65 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 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 -2.49 4.16 -0.01 -1.08 2.20 -0.97 -1.44 119.74 120.12 1rxs s LYS 1181Ca 0.20 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1rxs s LYS 1181Cb 0.18 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1rxs s LYS 1181CO 0.56 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1rxs n GLY 1182N 4.23 0.41 0.15 5.54 0.00 -1.26 -4.92 105.19 109.33 1rxs n GLY 1182Ca 0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.28 -0.49 1.61 4.64 -1.55 -3.04 113.55 115.00 1rxs h SER 1183Ca -0.00 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1rxs h SER 1183Cb 0.20 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1rxs h SER 1183CO 0.00 0.94 0.13 -0.03 -0.87 0.00 0.00 176.83 177.00 1rxs h MET 1184N 0.15 0.78 -0.83 4.77 -1.53 -1.92 -1.04 114.93 115.31 1rxs h MET 1184Ca -0.03 -0.18 0.01 0.00 -3.44 0.00 0.00 59.70 56.06 1rxs h MET 1184Cb 1.34 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 32.24 1rxs h MET 1184CO 0.12 0.75 0.54 1.49 0.14 0.00 0.00 176.91 179.95 1rxs h GLU 1185N 0.67 1.10 0.10 0.39 4.81 -1.97 0.19 114.58 119.87 1rxs h GLU 1185Ca 0.16 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1rxs h GLU 1185Cb 0.31 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1rxs h GLU 1185CO -0.00 0.73 -0.05 0.93 -0.73 0.00 0.00 179.01 179.89 1rxs h GLU 1186N 1.13 -0.13 -0.86 1.92 4.39 -1.30 -1.64 114.58 118.09 1rxs h GLU 1186Ca 0.30 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1rxs h GLU 1186Cb -0.12 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1rxs h GLU 1186CO -0.06 0.08 0.57 -1.49 -1.16 0.00 0.00 179.01 176.94 1rxs h TRP 1187N -0.33 1.08 -0.21 4.33 -0.00 -0.82 -1.47 115.95 118.53 1rxs h TRP 1187Ca -0.01 0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.95 1rxs h TRP 1187Cb 0.27 -0.36 -0.05 0.00 -0.00 0.00 0.00 29.16 29.01 1rxs h TRP 1187CO -0.01 0.68 -0.14 1.96 -0.00 0.00 0.00 178.44 180.93 1rxs h GLN 1188N 1.16 -0.13 0.00 0.49 4.20 -0.88 -0.96 115.11 118.99 1rxs h GLN 1188Ca 0.31 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1rxs h GLN 1188Cb -0.13 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1rxs h GLN 1188CO -0.07 -0.09 -0.16 0.00 -0.67 0.00 0.00 178.83 177.84 1rxs h ALA 1189N 1.01 1.70 -0.21 3.87 0.00 -0.33 -1.73 119.26 123.58 1rxs h ALA 1189Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rxs h ALA 1189Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rxs h ALA 1189CO -0.29 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.83 1rxs n MET 1190N -4.30 1.64 -0.91 0.00 2.81 -0.65 -4.90 117.12 110.80 1rxs n MET 1190Ca -0.02 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.89 1rxs n MET 1190Cb 0.23 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 1.02 0.55 3.74 3.03 0.00 -0.65 -5.01 105.19 107.88 1rxs n GLY 1191Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 2.46 0.04 1.61 1.01 -0.44 -4.65 120.40 118.40 1rxs s VAL 1192Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1rxs s VAL 1192Cb 0.00 -3.24 -0.33 0.00 0.00 0.00 0.00 36.38 32.81 1rxs s VAL 1192CO 0.00 0.06 1.05 0.24 0.00 0.00 0.00 175.10 176.45 1rxs h MET 1193N 5.13 0.59 -2.56 2.72 0.00 -1.18 -3.41 114.93 116.21 1rxs h MET 1193Ca -0.46 -0.89 0.12 0.00 0.00 0.00 0.00 59.70 58.47 1rxs h MET 1193Cb 1.22 0.32 -0.09 0.00 0.00 0.00 0.00 31.60 33.05 1rxs h MET 1193CO 0.79 1.42 0.40 0.54 0.00 0.00 0.00 176.91 180.06 1rxs s ASN 1194N -7.52 -0.26 -0.09 1.22 4.22 -1.26 -0.72 114.94 110.53 1rxs s ASN 1194Ca -0.09 -0.36 -0.01 0.00 -2.14 0.00 0.00 52.86 50.26 1rxs s ASN 1194Cb 0.05 0.55 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1rxs s ASN 1194CO 0.94 -0.98 -0.04 -0.31 -2.04 0.00 0.00 177.10 174.67 1rxs s TYR 1195N -3.47 3.02 0.01 1.54 1.51 -0.97 -1.00 117.35 117.99 1rxs s TYR 1195Ca 0.10 0.01 -0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1rxs s TYR 1195Cb -0.02 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1rxs s TYR 1195CO 0.00 0.30 0.01 -0.85 -1.11 0.00 0.00 175.55 173.91 1rxs n GLU 1196N 2.44 0.02 0.00 -0.62 -0.00 -0.67 -3.61 120.64 118.19 1rxs n GLU 1196Ca -0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 57.16 56.90 1rxs n GLU 1196Cb 0.53 0.07 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 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 -0.02 1.66 0.00 3.44 2.81 -1.26 -0.49 117.12 123.26 1rxs n MET 1197Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.84 1rxs n MET 1197Cb 0.02 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 -0.29 3.17 -0.09 0.03 4.71 -1.26 -3.49 120.64 123.43 1rxs n GLU 1198Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1rxs n GLU 1198Cb 0.32 -0.71 0.13 0.00 -1.01 0.00 0.00 31.44 30.17 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 0.75 -0.44 1.62 4.64 -1.94 -1.64 113.55 116.55 1rxs h SER 1199Ca 0.00 -0.22 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 1rxs h SER 1199Cb 0.06 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1rxs h SER 1199CO 0.00 0.88 0.18 0.00 -0.87 0.00 0.00 176.83 177.02 1rxs h ALA 1200N 1.19 0.54 -0.03 5.18 0.00 -1.86 0.32 119.26 124.60 1rxs h ALA 1200Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rxs h ALA 1200Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rxs h ALA 1200CO 0.04 -0.20 0.01 1.15 0.00 0.00 0.00 179.25 180.24 1rxs h THR 1201N 0.36 1.20 0.23 0.00 2.02 -1.85 -2.02 112.91 112.85 1rxs h THR 1201Ca 0.20 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1rxs h THR 1201Cb 0.17 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1rxs h THR 1201CO -0.18 0.16 -0.20 0.25 0.37 0.00 0.00 175.52 175.91 1rxs h LEU 1202N -0.19 -0.54 -0.61 2.58 5.85 -0.91 -1.19 115.31 120.29 1rxs h LEU 1202Ca 0.01 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1rxs h LEU 1202Cb 0.25 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1rxs h LEU 1202CO 0.00 -0.31 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.69 1rxs h LEU 1203N -0.45 1.04 -0.19 2.25 3.38 -0.41 -1.80 115.31 119.12 1rxs h LEU 1203Ca -0.01 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1rxs h LEU 1203Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1rxs h LEU 1203CO -0.04 1.11 -0.08 0.74 0.09 0.00 0.00 178.44 180.26 1rxs h THR 1204N 0.96 1.30 -0.14 0.22 2.02 -1.25 -0.44 112.91 115.58 1rxs h THR 1204Ca 0.16 -1.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1rxs h THR 1204Cb 0.59 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1rxs h THR 1204CO 0.04 0.34 -0.35 0.00 0.37 0.00 0.00 175.52 175.92 1rxs h MET 1205N 0.10 0.28 0.03 6.66 -0.00 -1.14 -1.76 114.93 119.10 1rxs h MET 1205Ca 0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1rxs h MET 1205Cb 0.56 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 1rxs h MET 1205CO 0.03 0.60 -0.01 0.00 -0.00 0.00 0.00 176.91 177.52 1rxs h ALA 1207N 0.12 2.04 -0.25 0.00 0.00 -1.02 -0.84 119.26 119.32 1rxs h ALA 1207Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1207Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rxs h ALA 1207CO 0.01 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 1rxs n SER 1208N -4.32 2.45 -0.28 0.00 3.41 -0.67 -4.26 113.62 109.94 1rxs n SER 1208Ca 0.01 -1.84 0.02 0.00 -0.26 0.00 0.00 58.87 56.80 1rxs n SER 1208Cb 0.25 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.84 0.53 -1.48 4.33 6.02 -0.62 -5.00 117.38 122.00 1rxs n GLN 1209Ca 0.17 -1.34 -0.10 0.00 -0.01 0.00 0.00 57.00 55.72 1rxs n GLN 1209Cb 0.45 -0.78 -0.04 0.00 1.02 0.00 0.00 30.24 30.90 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 -0.38 0.93 3.78 1.08 0.00 -1.04 -5.02 105.19 104.54 1rxs n GLY 1210Ca 0.04 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.48 3.89 -0.14 0.99 1.43 -0.42 -5.04 118.68 116.91 1rxs s LEU 1211Ca 0.00 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 1rxs s LEU 1211Cb 0.00 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1rxs s LEU 1211CO 0.00 0.25 0.39 -0.13 0.23 0.00 0.00 176.35 177.09 1rxs s ARG 1212N -1.88 4.30 0.01 1.70 0.52 -0.43 -3.83 118.95 119.35 1rxs s ARG 1212Ca 0.24 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.74 1rxs s ARG 1212Cb -0.12 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1rxs s ARG 1212CO 0.16 0.20 -0.03 0.00 0.02 0.00 0.00 175.30 175.64 1rxs s ALA 1213N 0.55 0.18 0.15 2.13 0.00 -1.26 0.44 121.76 123.95 1rxs s ALA 1213Ca 0.21 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1rxs s ALA 1213Cb -0.14 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1rxs s ALA 1213CO 0.07 -0.06 0.02 0.20 0.00 0.00 0.00 175.76 175.99 1rxs s GLY 1214N -0.87 1.07 -0.03 0.00 0.00 -0.44 -0.61 107.32 106.44 1rxs s GLY 1214Ca -0.08 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 1rxs s GLY 1214CO -0.00 -1.45 0.06 1.06 0.00 0.00 0.00 173.10 172.77 1rxs s MET 1215N -3.96 -0.00 0.00 2.90 -1.94 -1.26 -1.35 119.30 113.69 1rxs s MET 1215Ca 0.22 0.24 -0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1rxs s MET 1215Cb 0.07 -0.22 -0.00 0.00 2.01 0.00 0.00 34.83 36.68 1rxs s MET 1215CO 0.02 -0.16 -0.00 0.54 -0.01 0.00 0.00 175.02 175.40 1rxs s VAL 1216N 1.08 0.02 0.02 -6.03 0.11 -0.17 -2.33 120.40 113.08 1rxs s VAL 1216Ca -0.09 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1rxs s VAL 1216Cb -0.12 -0.05 -0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1rxs s VAL 1216CO -0.04 -0.08 0.14 0.00 -3.33 0.00 0.00 175.10 171.79 1rxs s ALA 1217N -0.24 -0.28 -0.10 1.54 0.00 -0.37 -1.26 121.76 121.05 1rxs s ALA 1217Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1rxs s ALA 1217Cb -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1rxs s ALA 1217CO -0.00 -0.25 0.19 0.20 0.00 0.00 0.00 175.76 175.89 1rxs s GLY 1218N -1.64 2.21 -0.32 0.00 0.00 -0.63 -0.45 107.32 106.49 1rxs s GLY 1218Ca -0.11 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1rxs s GLY 1218CO -0.00 -0.26 1.06 0.14 0.00 0.00 0.00 173.10 174.03 1rxs s VAL 1219N -0.97 4.52 -0.08 1.40 1.01 -0.67 -1.74 120.40 123.87 1rxs s VAL 1219Ca 0.16 1.71 0.19 0.00 0.00 0.00 0.00 61.98 64.03 1rxs s VAL 1219Cb -0.13 -4.40 -0.28 0.00 0.00 0.00 0.00 36.38 31.57 1rxs s VAL 1219CO 0.05 -0.47 0.31 2.30 0.00 0.00 0.00 175.10 177.29 1rxs n ILE 1220N 5.85 0.43 -3.79 2.22 -5.35 -0.28 -1.60 119.36 116.84 1rxs n ILE 1220Ca 0.12 -0.56 -0.11 0.00 -0.27 0.00 0.00 62.75 61.92 1rxs n ILE 1220Cb 0.47 -0.14 -0.08 0.00 -1.74 0.00 0.00 39.64 38.15 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 -3.06 0.09 -0.20 7.28 0.11 -1.23 -4.94 120.40 118.45 1rxs s VAL 1221Ca -0.08 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1rxs s VAL 1221Cb 0.10 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1rxs s VAL 1221CO 0.80 -0.41 -0.11 0.21 -3.33 0.00 0.00 175.10 172.25 1rxs s ASN 1222N -1.98 3.79 0.37 3.54 3.84 -1.26 -1.31 114.94 121.92 1rxs s ASN 1222Ca -0.06 -0.49 0.27 0.00 0.21 0.00 0.00 52.86 52.79 1rxs s ASN 1222Cb -0.02 -1.62 1.21 0.00 -0.55 0.00 0.00 41.25 40.27 1rxs s ASN 1222CO -0.03 0.00 1.81 0.03 -2.79 0.00 0.00 177.10 176.13 1rxs h ARG 1223N 7.93 0.00 0.00 0.43 2.47 -0.95 -2.25 114.38 122.01 1rxs h ARG 1223Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1rxs h ARG 1223Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1rxs h ARG 1223CO 0.61 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.39 1rxs n THR 1224N -2.50 0.00 0.00 2.04 -2.24 -1.26 -3.49 114.28 106.83 1rxs n THR 1224Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rxs n THR 1224Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.73 2.58 -3.66 -0.78 10.64 -0.86 -5.09 117.38 119.48 1rxs n GLN 1225Ca 0.10 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.12 1rxs n GLN 1225Cb 0.05 -0.74 -0.07 0.00 -0.86 0.00 0.00 30.24 28.61 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 -1.19 0.84 -0.10 2.61 -0.21 -1.12 -5.09 119.66 115.40 1rxs s GLN 1226Ca 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 55.36 55.31 1rxs s GLN 1226Cb 0.00 0.39 -0.02 0.00 1.00 0.00 0.00 33.01 34.38 1rxs s GLN 1226CO 0.00 -0.25 -0.11 0.93 -2.12 0.00 0.00 175.29 173.74 1rxs h GLU 1227N 3.47 0.00 -6.01 2.91 5.08 -1.88 -3.33 114.58 114.81 1rxs h GLU 1227Ca -0.29 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 1rxs h GLU 1227Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1rxs h GLU 1227CO 0.40 0.00 0.33 0.42 -1.00 0.00 0.00 179.01 179.16 1rxs s ILE 1228N -1.84 4.91 0.19 3.13 -1.09 -1.26 -4.98 121.20 120.26 1rxs s ILE 1228Ca -0.09 1.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.95 1rxs s ILE 1228Cb 0.01 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1rxs s ILE 1228CO 0.13 0.08 0.10 -2.65 -1.23 0.00 0.00 174.94 171.38 1rxs n PRO 1229N 4.82 -1.39 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.84 1rxs n PRO 1229Ca 0.04 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1rxs n PRO 1229Cb 0.49 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 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 -1.86 0.00 0.23 -0.52 0.00 -1.26 -5.08 117.12 108.63 1rxs n MET 1234Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.82 1rxs n MET 1234Cb 0.07 0.00 0.52 0.00 0.00 0.00 0.00 33.22 33.81 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 -2.84 116.57 117.48 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 0.22 -0.15 1.96 -2.27 0.00 0.00 179.45 179.21 1rxs h GLN 1236N 0.00 0.00 -0.02 1.90 4.20 -2.03 -2.97 115.11 116.19 1rxs h GLN 1236Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1rxs h GLN 1236Cb 0.64 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.42 1rxs h GLN 1236CO 0.03 0.00 -0.38 1.15 -0.67 0.00 0.00 178.83 178.96 1rxs h THR 1237N 0.00 1.48 0.00 -0.54 2.02 -1.86 -2.74 112.91 111.27 1rxs h THR 1237Ca 0.00 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 1rxs h THR 1237Cb 0.78 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.78 1rxs h THR 1237CO 0.00 0.54 -0.29 1.05 0.37 0.00 0.00 175.52 177.19 1rxs h GLU 1238N -0.29 0.00 -0.44 6.66 4.11 -1.64 -2.27 114.58 120.72 1rxs h GLU 1238Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1rxs h GLU 1238Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1rxs h GLU 1238CO 0.08 0.29 0.11 0.77 0.07 0.00 0.00 179.01 180.32 1rxs h SER 1239N 0.00 0.60 0.23 3.06 0.02 -1.58 0.73 113.55 116.62 1rxs h SER 1239Ca -0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1rxs h SER 1239Cb 0.96 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1rxs h SER 1239CO 0.04 0.60 -0.11 0.45 -1.14 0.00 0.00 176.83 176.66 1rxs h HIS 1240N 0.64 -0.29 -0.45 3.45 3.86 -1.13 -2.11 115.15 119.12 1rxs h HIS 1240Ca 0.15 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1rxs h HIS 1240Cb 0.24 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1rxs h HIS 1240CO 0.01 0.08 0.25 0.00 0.86 0.00 0.00 177.93 179.13 1rxs h ALA 1241N -0.13 0.57 -0.32 2.45 0.00 -1.37 0.43 119.26 120.89 1rxs h ALA 1241Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 1241Cb 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rxs h ALA 1241CO 0.05 -0.07 0.19 0.28 0.00 0.00 0.00 179.25 179.70 1rxs h VAL 1242N 0.51 1.11 -0.78 0.00 2.07 -0.93 0.06 116.25 118.30 1rxs h VAL 1242Ca 0.18 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1rxs h VAL 1242Cb 0.03 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1rxs h VAL 1242CO -0.10 0.11 0.41 0.50 0.02 0.00 0.00 177.57 178.52 1rxs h LYS 1243N 0.41 0.66 -0.41 1.57 3.64 -0.98 -1.46 116.57 120.00 1rxs h LYS 1243Ca 0.11 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1rxs h LYS 1243Cb 0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1rxs h LYS 1243CO -0.02 0.44 0.04 0.82 -2.27 0.00 0.00 179.45 178.45 1rxs h ILE 1244N 0.68 1.25 -0.55 2.00 2.04 -0.06 -1.53 117.51 121.34 1rxs h ILE 1244Ca 0.39 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1rxs h ILE 1244Cb 0.41 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1rxs h ILE 1244CO -0.27 0.32 -0.02 1.62 0.00 0.00 0.00 178.15 179.80 1rxs h VAL 1245N 0.54 1.26 -0.48 1.67 3.04 -0.54 0.49 116.25 122.24 1rxs h VAL 1245Ca 0.12 -1.12 -0.09 0.00 -1.01 0.00 0.00 66.70 64.60 1rxs h VAL 1245Cb 0.42 0.85 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 1rxs h VAL 1245CO 0.01 0.40 -0.05 0.58 -1.01 0.00 0.00 177.57 177.50 1rxs h VAL 1246N 0.87 1.27 -0.11 1.51 2.07 -1.21 -0.69 116.25 119.96 1rxs h VAL 1246Ca 0.16 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1rxs h VAL 1246Cb 0.54 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1rxs h VAL 1246CO 0.03 0.40 -0.33 -0.08 0.02 0.00 0.00 177.57 177.61 1rxs h GLU 1247N 0.73 0.22 -0.31 1.57 4.57 -0.89 -1.66 114.58 118.82 1rxs h GLU 1247Ca 0.13 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 1rxs h GLU 1247Cb 0.59 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1rxs h GLU 1247CO 0.04 0.53 -0.34 0.00 -1.18 0.00 0.00 179.01 178.06 1rxs h ALA 1248N 1.47 0.46 -0.53 2.92 0.00 -0.64 -2.98 119.26 119.96 1rxs h ALA 1248Ca 0.03 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.59 1rxs h ALA 1248Cb 0.68 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1rxs h ALA 1248CO 0.05 0.52 0.17 0.00 0.00 0.00 0.00 179.25 179.99 1rxs h ALA 1249N 0.72 0.64 -0.79 0.00 0.00 -0.79 -1.00 119.26 118.04 1rxs h ALA 1249Ca 0.05 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1rxs h ALA 1249Cb 0.92 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1rxs h ALA 1249CO 0.08 -0.24 0.21 -0.09 0.00 0.00 0.00 179.25 179.22 1rxs h ARG 1250N 0.33 0.26 0.00 0.00 2.43 -1.17 -0.63 114.38 115.61 1rxs h ARG 1250Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1rxs h ARG 1250Cb 0.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rxs h ARG 1250CO -0.28 0.17 0.00 0.54 -1.51 0.00 0.00 179.97 178.89 1rxs n ARG 1251N -5.16 0.13 -0.19 0.20 1.74 -0.43 -3.27 116.66 109.67 1rxs n ARG 1251Ca 0.17 0.14 0.10 0.00 -0.77 0.00 0.00 57.85 57.49 1rxs n ARG 1251Cb 0.53 -1.66 0.20 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.89 3.31 -0.01 0.55 4.77 -0.26 -5.04 117.00 118.43 1rxs n LEU 1252Ca 0.06 -1.58 0.16 0.00 -0.03 0.00 0.00 56.01 54.62 1rxs n LEU 1252Cb 0.36 -0.25 0.94 0.00 -2.33 0.00 0.00 43.42 42.14 1rxs n LEU 1252CO 0.27 0.74 1.10 0.18 -1.33 0.00 0.00 177.39 178.35