#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs n ASP 1005N 0.00 0.68 -4.26 -3.46 8.00 0.64 -4.91 116.55 113.23 1rxs n ASP 1005Ca 0.00 0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.45 1rxs n ASP 1005Cb 0.00 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.03 1rxs n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxs s VAL 1006N -3.14 1.51 0.18 2.53 -7.23 -1.23 -5.05 120.40 107.97 1rxs s VAL 1006Ca 0.07 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1rxs s VAL 1006Cb 0.14 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 35.41 1rxs s VAL 1006CO 0.70 -0.27 1.42 0.15 -0.31 0.00 0.00 175.10 176.78 1rxs h PHE 1007N 3.71 0.39 0.00 2.82 3.57 -1.95 -3.34 116.94 122.14 1rxs h PHE 1007Ca -0.42 -0.19 -0.31 0.00 3.53 0.00 0.00 57.97 60.58 1rxs h PHE 1007Cb 1.19 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1rxs h PHE 1007CO 0.65 0.96 -2.14 0.72 -2.23 0.00 0.00 178.31 176.27 1rxs n HIS 1008N -3.75 0.00 0.26 0.41 8.25 -1.26 -4.67 115.22 114.45 1rxs n HIS 1008Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.57 1rxs n HIS 1008Cb 0.75 -0.76 0.55 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.14 0.00 -1.97 2.41 3.38 -1.93 -3.45 115.31 113.61 1rxs h LEU 1009Ca -0.46 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.16 1rxs h LEU 1009Cb 1.64 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.52 1rxs h LEU 1009CO -0.12 0.06 -0.82 0.61 0.09 0.00 0.00 178.44 178.26 1rxs n GLY 1010N 0.23 -0.54 3.32 0.83 0.00 -1.25 -4.65 105.19 103.12 1rxs n GLY 1010Ca 0.01 0.23 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.28 2.50 0.20 0.99 1.43 -1.26 -4.78 118.68 111.47 1rxs s LEU 1011Ca 0.13 -1.06 0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1rxs s LEU 1011Cb -0.02 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 1rxs s LEU 1011CO 0.77 -0.29 -0.21 0.42 0.23 0.00 0.00 176.35 177.28 1rxs s THR 1012N -3.16 2.16 0.32 5.49 -4.23 -1.26 -0.26 115.64 114.69 1rxs s THR 1012Ca 0.22 -2.09 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1rxs s THR 1012Cb 0.02 -2.06 0.31 0.00 1.34 0.00 0.00 72.50 72.10 1rxs s THR 1012CO 0.05 -0.28 1.84 0.50 -0.54 0.00 0.00 174.62 176.20 1rxs h LYS 1013N 2.98 0.79 -0.99 3.99 3.64 -1.96 -0.69 116.57 124.33 1rxs h LYS 1013Ca -0.43 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1rxs h LYS 1013Cb 1.22 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 1rxs h LYS 1013CO 0.52 0.52 0.64 -0.97 -2.27 0.00 0.00 179.45 177.90 1rxs h ASN 1014N 0.82 1.03 -0.16 4.20 -0.73 -1.95 -2.65 115.58 116.13 1rxs h ASN 1014Ca 0.48 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.71 1rxs h ASN 1014Cb 0.66 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1rxs h ASN 1014CO -0.25 0.66 0.12 0.44 -0.37 0.00 0.00 177.43 178.03 1rxs h ASP 1015N 1.17 0.00 1.76 1.15 3.32 -1.52 -1.87 116.42 120.43 1rxs h ASP 1015Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1rxs h ASP 1015Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rxs h ASP 1015CO -0.16 0.00 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.09 1rxs h LEU 1016N 0.00 0.00 -1.35 1.55 4.07 -1.54 -3.48 115.31 114.56 1rxs h LEU 1016Ca 0.08 -0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.53 1rxs h LEU 1016Cb 0.32 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.97 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 -2.95 -4.00 -0.90 1.13 6.02 -0.70 -1.52 117.38 114.47 1rxs n GLN 1017Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1rxs n GLN 1017Cb 0.53 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.73 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 -1.66 0.60 3.70 1.08 0.00 -1.26 -4.77 105.19 102.88 1rxs n GLY 1018Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 0.70 1.23 -0.49 4.61 0.00 -0.58 -4.92 120.51 121.06 1rxs n ALA 1019Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1rxs n ALA 1019Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 0.00 -5.15 0.00 -2.24 -1.26 -4.32 114.28 100.98 1rxs n THR 1020Ca 0.07 -0.22 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1rxs n THR 1020Cb 0.40 1.49 -0.16 0.00 -2.10 0.00 0.00 70.33 69.96 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 2.04 -0.04 3.22 0.20 -1.26 0.33 118.68 123.06 1rxs s LEU 1021Ca 0.00 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1rxs s LEU 1021Cb 0.00 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.56 1rxs s LEU 1021CO 0.00 0.28 -0.12 0.00 -0.29 0.00 0.00 176.35 176.22 1rxs s ALA 1022N -0.48 1.12 -0.16 5.97 0.00 0.46 -1.99 121.76 126.67 1rxs s ALA 1022Ca 0.07 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 1rxs s ALA 1022Cb -0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1rxs s ALA 1022CO -0.00 0.16 0.59 0.42 0.00 0.00 0.00 175.76 176.92 1rxs s ILE 1023N 0.32 5.07 -0.50 0.00 1.01 0.34 -0.99 121.20 126.46 1rxs s ILE 1023Ca -0.07 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1rxs s ILE 1023Cb -0.12 -3.91 0.13 0.00 0.01 0.00 0.00 42.46 38.57 1rxs s ILE 1023CO 0.02 0.19 0.24 0.68 0.00 0.00 0.00 174.94 176.07 1rxs s VAL 1024N 1.44 2.52 0.83 2.92 -7.23 0.34 -1.37 120.40 119.86 1rxs s VAL 1024Ca 0.28 -3.23 -0.12 0.00 -1.81 0.00 0.00 61.98 57.11 1rxs s VAL 1024Cb -0.16 -2.76 0.09 0.00 0.56 0.00 0.00 36.38 34.12 1rxs s VAL 1024CO 0.11 -0.79 1.13 -2.16 -0.31 0.00 0.00 175.10 173.09 1rxs s PRO 1025N -0.19 1.81 0.03 4.82 0.04 -1.23 -3.37 135.00 136.91 1rxs s PRO 1025Ca 0.17 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.58 1rxs s PRO 1025Cb -0.25 -1.91 -0.25 0.00 0.04 0.00 0.00 34.50 32.13 1rxs s PRO 1025CO -0.01 -1.75 0.94 0.78 0.04 0.00 0.00 177.00 177.00 1rxs h GLY 1026N -1.17 0.14 -7.66 0.56 0.00 -1.84 -0.55 103.07 92.55 1rxs h GLY 1026Ca -0.48 -0.37 -0.64 0.00 0.00 0.00 0.00 47.33 45.84 1rxs h GLY 1026CO 0.63 0.32 -0.54 -0.35 0.00 0.00 0.00 176.54 176.61 1rxs s ASP 1027N -6.72 5.89 0.44 0.19 3.68 -1.26 -0.87 116.67 118.01 1rxs s ASP 1027Ca -0.05 -0.02 0.19 0.00 2.13 0.00 0.00 52.55 54.79 1rxs s ASP 1027Cb 0.08 -2.08 1.13 0.00 -1.45 0.00 0.00 42.92 40.59 1rxs s ASP 1027CO 0.84 -0.03 1.88 1.55 0.13 0.00 0.00 175.17 179.54 1rxs h PRO 1028N 8.20 0.35 0.00 4.34 0.13 -1.90 -0.88 132.00 142.23 1rxs h PRO 1028Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1rxs h PRO 1028Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rxs h PRO 1028CO 0.57 0.23 0.00 -0.44 -0.23 0.00 0.00 178.00 178.13 1rxs h ASP 1029N 0.36 0.00 0.76 1.44 3.32 -1.95 -2.70 116.42 117.65 1rxs h ASP 1029Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1rxs h ASP 1029Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1rxs h ASP 1029CO -0.14 0.00 -0.60 -1.14 -1.72 0.00 0.00 179.24 175.64 1rxs n ARG 1030N -2.78 0.21 0.06 3.56 0.63 -0.34 -4.39 116.66 113.61 1rxs n ARG 1030Ca 0.01 0.06 -0.13 0.00 -0.92 0.00 0.00 57.85 56.87 1rxs n ARG 1030Cb 0.28 -1.63 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 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 1.03 -0.91 5.15 2.07 -1.48 -2.59 116.25 119.52 1rxs h VAL 1031Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1rxs h VAL 1031Cb 0.68 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1rxs h VAL 1031CO 0.00 0.07 0.55 -0.08 0.02 0.00 0.00 177.57 178.14 1rxs h GLU 1032N -0.21 1.22 -0.79 1.57 4.81 -1.76 -1.39 114.58 118.04 1rxs h GLU 1032Ca -0.01 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1rxs h GLU 1032Cb 0.18 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1rxs h GLU 1032CO 0.01 0.85 0.50 0.87 -0.73 0.00 0.00 179.01 180.51 1rxs h LYS 1033N 1.25 0.93 -0.03 1.92 1.57 -1.73 -0.92 116.57 119.55 1rxs h LYS 1033Ca 0.33 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1rxs h LYS 1033Cb -0.07 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1rxs h LYS 1033CO -0.06 0.61 -0.02 0.82 -0.57 0.00 0.00 179.45 180.23 1rxs h ILE 1034N 0.96 1.36 -0.86 1.86 2.04 -1.08 -3.15 117.51 118.63 1rxs h ILE 1034Ca 0.32 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 65.19 1rxs h ILE 1034Cb 0.04 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1rxs h ILE 1034CO -0.12 0.29 0.56 0.00 0.00 0.00 0.00 178.15 178.88 1rxs h ALA 1035N 0.57 1.72 0.00 1.87 0.00 -1.12 -1.65 119.26 120.64 1rxs h ALA 1035Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1035Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rxs h ALA 1035CO 0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1rxs h ALA 1036N 1.58 1.00 0.00 0.00 0.00 -1.12 -1.01 119.26 119.71 1rxs h ALA 1036Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1rxs h ALA 1036Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rxs h ALA 1036CO -0.17 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.36 1rxs n LEU 1037N -2.60 0.00 0.00 0.00 4.32 -0.62 -4.86 117.00 113.23 1rxs n LEU 1037Ca -0.00 0.24 -0.31 0.00 -0.02 0.00 0.00 56.01 55.91 1rxs n LEU 1037Cb 0.15 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 41.66 1rxs n LEU 1037CO 0.18 -0.00 -0.18 0.23 -1.22 0.00 0.00 177.39 176.40 1rxs n MET 1038N -1.24 0.77 -3.25 3.23 2.81 -0.38 -5.14 117.12 113.93 1rxs n MET 1038Ca 0.16 -3.62 -0.32 0.00 -1.81 0.00 0.00 57.70 52.10 1rxs n MET 1038Cb 0.22 0.87 -0.06 0.00 -0.71 0.00 0.00 33.22 33.54 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 -3.84 6.73 -1.32 7.83 -0.00 -0.18 -4.49 116.67 121.39 1rxs s ASP 1039Ca 0.05 1.15 -0.05 0.00 -0.00 0.00 0.00 52.55 53.70 1rxs s ASP 1039Cb -0.00 -2.32 -0.00 0.00 -0.00 0.00 0.00 42.92 40.60 1rxs s ASP 1039CO 0.03 -0.14 0.56 0.29 -0.00 0.00 0.00 175.17 175.91 1rxs n LYS 1040N -0.23 -3.04 -2.27 8.23 5.02 -1.26 -0.22 118.16 124.39 1rxs n LYS 1040Ca 0.02 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.35 1rxs n LYS 1040Cb 0.53 -4.52 -0.03 0.00 -0.02 0.00 0.00 35.03 30.98 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 -6.32 4.41 -0.03 1.97 0.04 -1.26 -4.44 135.00 129.37 1rxs s PRO 1041Ca 0.12 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1rxs s PRO 1041Cb -0.04 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.30 1rxs s PRO 1041CO 0.87 -0.23 0.05 0.08 0.04 0.00 0.00 177.00 177.81 1rxs s VAL 1042N 0.24 -0.08 0.13 -0.36 1.01 0.32 -5.00 120.40 116.67 1rxs s VAL 1042Ca 0.57 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.52 1rxs s VAL 1042Cb -0.35 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 1rxs s VAL 1042CO 0.36 0.12 1.48 -0.75 0.00 0.00 0.00 175.10 176.31 1rxs s LYS 1043N 1.46 4.27 -0.27 2.72 2.20 -1.26 -1.01 119.74 127.84 1rxs s LYS 1043Ca -0.04 2.21 -0.15 0.00 -0.36 0.00 0.00 55.97 57.63 1rxs s LYS 1043Cb -0.13 -3.22 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 1rxs s LYS 1043CO -0.03 -0.53 -0.30 1.28 -0.36 0.00 0.00 175.35 175.41 1rxs n LEU 1044N 4.04 1.95 -3.47 5.43 4.77 0.53 -4.90 117.00 125.34 1rxs n LEU 1044Ca 0.13 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1rxs n LEU 1044Cb 0.41 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1rxs n LEU 1044CO 0.60 0.51 0.55 0.00 -1.33 0.00 0.00 177.39 177.72 1rxs s ALA 1045N -2.51 -1.71 -0.26 -1.18 0.00 -1.04 -5.01 121.76 110.05 1rxs s ALA 1045Ca -0.37 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1rxs s ALA 1045Cb 0.14 0.65 0.14 0.00 0.00 0.00 0.00 23.12 24.04 1rxs s ALA 1045CO 0.50 -0.73 0.39 0.45 0.00 0.00 0.00 175.76 176.36 1rxs s SER 1046N -2.62 0.29 -0.03 0.00 0.15 -1.26 -0.46 113.70 109.77 1rxs s SER 1046Ca 0.03 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 1rxs s SER 1046Cb -0.01 1.11 0.02 0.00 -1.71 0.00 0.00 66.02 65.44 1rxs s SER 1046CO -0.11 -0.31 0.06 -1.00 1.20 0.00 0.00 173.24 173.09 1rxs s HIS 1047N 2.55 -0.05 0.00 3.44 3.76 0.06 -5.00 115.29 120.05 1rxs s HIS 1047Ca 0.12 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1rxs s HIS 1047Cb -0.15 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1rxs s HIS 1047CO -0.19 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.15 1rxs n ARG 1048N 3.78 0.00 -0.08 1.40 1.74 -1.26 0.11 116.66 122.35 1rxs n ARG 1048Ca -0.22 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1rxs n ARG 1048Cb 0.54 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 32.35 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 1.61 -3.36 5.56 0.00 -1.26 -4.74 120.64 132.44 1rxs n GLU 1049Ca 0.00 -0.92 -0.45 0.00 0.00 0.00 0.00 57.16 55.80 1rxs n GLU 1049Cb 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.80 3.23 -0.16 -1.84 0.40 0.12 -4.05 117.98 113.88 1rxs s PHE 1050Ca 0.30 -0.95 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1rxs s PHE 1050Cb 0.16 -3.28 -0.03 0.00 0.51 0.00 0.00 43.02 40.38 1rxs s PHE 1050CO 0.24 -0.84 -0.03 0.99 0.70 0.00 0.00 175.22 176.27 1rxs s THR 1051N 1.70 3.91 -0.11 0.64 2.01 -1.26 -0.76 115.64 121.77 1rxs s THR 1051Ca 0.05 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1rxs s THR 1051Cb -0.25 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1rxs s THR 1051CO 0.06 0.48 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.41 1rxs s THR 1052N 0.45 1.69 0.14 -0.82 2.01 0.40 -1.67 115.64 117.83 1rxs s THR 1052Ca -0.03 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.29 1rxs s THR 1052Cb -0.14 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1rxs s THR 1052CO 0.03 0.48 -0.17 0.26 -0.69 0.00 0.00 174.62 174.52 1rxs s TRP 1053N 0.79 2.52 -0.02 4.92 0.52 0.65 -0.35 118.94 127.97 1rxs s TRP 1053Ca -0.10 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1rxs s TRP 1053Cb -0.16 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1rxs s TRP 1053CO 0.01 0.42 -0.05 0.50 0.02 0.00 0.00 176.95 177.85 1rxs s ARG 1054N -2.32 2.66 0.00 4.98 3.52 -0.18 -0.54 118.95 127.06 1rxs s ARG 1054Ca 0.19 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1rxs s ARG 1054Cb -0.10 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1rxs s ARG 1054CO 0.11 0.62 0.00 0.00 -0.81 0.00 0.00 175.30 175.22 1rxs n ALA 1055N 1.67 0.00 -2.88 6.12 0.00 0.01 -0.52 120.51 124.92 1rxs n ALA 1055Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1rxs n ALA 1055Cb 0.53 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 -1.98 0.53 -0.09 0.00 2.12 0.69 -0.49 118.70 119.48 1rxs s GLU 1056Ca 0.00 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 1rxs s GLU 1056Cb 0.00 -0.52 0.03 0.00 0.26 0.00 0.00 34.13 33.90 1rxs s GLU 1056CO 0.00 0.10 0.02 -1.17 -0.54 0.00 0.00 175.26 173.67 1rxs s LEU 1057N 0.02 0.59 -1.48 2.70 2.96 0.59 -1.01 118.68 123.06 1rxs s LEU 1057Ca 0.00 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1rxs s LEU 1057Cb -0.04 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.24 1rxs s LEU 1057CO -0.00 -0.23 0.20 0.47 -1.32 0.00 0.00 176.35 175.47 1rxs n ASP 1058N 5.16 0.35 -0.04 3.68 8.00 -1.26 -0.94 116.55 131.50 1rxs n ASP 1058Ca -0.07 -1.15 -0.00 0.00 0.71 0.00 0.00 54.79 54.28 1rxs n ASP 1058Cb 0.50 -2.29 -0.00 0.00 -0.02 0.00 0.00 41.12 39.31 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 -2.30 0.25 3.52 0.44 0.00 -1.26 -5.00 105.19 100.83 1rxs n GLY 1059Ca -0.32 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.26 2.78 0.24 1.61 1.02 -0.11 -5.08 119.74 118.94 1rxs s LYS 1060Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1rxs s LYS 1060Cb 0.00 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.68 1rxs s LYS 1060CO 0.00 0.58 1.24 -1.25 -0.92 0.00 0.00 175.35 175.00 1rxs s PRO 1061N -0.59 4.45 0.02 -1.68 0.04 -1.26 -0.30 135.00 135.68 1rxs s PRO 1061Ca 0.09 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1rxs s PRO 1061Cb -0.12 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1rxs s PRO 1061CO 0.02 -0.11 -0.06 0.08 0.04 0.00 0.00 177.00 176.97 1rxs s VAL 1062N -0.49 0.41 -0.08 -0.36 1.01 0.36 -4.36 120.40 116.90 1rxs s VAL 1062Ca 0.51 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1rxs s VAL 1062Cb -0.36 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1rxs s VAL 1062CO 0.42 -0.15 0.07 -0.63 0.00 0.00 0.00 175.10 174.81 1rxs s ILE 1063N -0.74 4.81 -0.12 2.22 -1.09 -0.84 -0.81 121.20 124.63 1rxs s ILE 1063Ca -0.05 -0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1rxs s ILE 1063Cb -0.06 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.74 1rxs s ILE 1063CO 0.00 0.54 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.40 1rxs s VAL 1064N -1.01 1.63 -0.12 2.92 1.01 0.30 -0.50 120.40 124.62 1rxs s VAL 1064Ca 0.16 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1rxs s VAL 1064Cb -0.12 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.83 1rxs s VAL 1064CO 0.06 0.47 0.27 0.00 0.00 0.00 0.00 175.10 175.90 1rxs s SER 1066N 1.74 7.28 0.05 0.00 1.04 -0.67 -3.50 113.70 119.64 1rxs s SER 1066Ca -0.05 1.74 0.22 0.00 0.48 0.00 0.00 55.95 58.34 1rxs s SER 1066Cb -0.11 -2.54 -0.17 0.00 0.10 0.00 0.00 66.02 63.30 1rxs s SER 1066CO -0.09 -0.04 0.75 0.35 0.98 0.00 0.00 173.24 175.19 1rxs n THR 1067N 0.63 0.20 -0.69 2.02 -2.24 -0.21 -4.38 114.28 109.62 1rxs n THR 1067Ca 0.01 -0.45 0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1rxs n THR 1067Cb 0.50 -0.01 -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 1.27 -2.16 3.70 3.38 0.00 -0.05 -3.35 105.19 107.97 1rxs n GLY 1068Ca -0.01 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.13 4.97 0.00 -0.61 1.01 -1.26 -4.70 121.20 119.49 1rxs s ILE 1069Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 1rxs s ILE 1069Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1rxs s ILE 1069CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1rxs n GLY 1070N 3.23 2.35 0.18 6.18 0.00 -1.26 -4.62 105.19 111.25 1rxs n GLY 1070Ca 0.01 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 0.04 0.49 -0.02 0.00 -1.87 -1.90 103.07 99.81 1rxs h GLY 1071Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1rxs h GLY 1071CO 0.00 -0.14 -0.10 -2.55 0.00 0.00 0.00 176.54 173.75 1rxs h PRO 1072N -0.12 -0.08 -0.12 4.80 0.11 -1.94 0.31 132.00 134.96 1rxs h PRO 1072Ca 0.12 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 1rxs h PRO 1072Cb 0.29 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1rxs h PRO 1072CO -0.28 -0.05 -0.65 0.66 -0.21 0.00 0.00 178.00 177.47 1rxs h SER 1073N -0.08 0.53 -0.62 -2.05 4.64 -1.79 -2.73 113.55 111.44 1rxs h SER 1073Ca 0.11 -0.31 0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1rxs h SER 1073Cb 0.24 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 1rxs h SER 1073CO -0.25 1.03 0.23 0.74 -0.87 0.00 0.00 176.83 177.71 1rxs h THR 1074N 0.33 0.76 -0.06 2.95 2.02 -0.72 -1.85 112.91 116.35 1rxs h THR 1074Ca -0.01 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1rxs h THR 1074Cb 1.20 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1rxs h THR 1074CO 0.11 0.07 -0.20 0.77 0.37 0.00 0.00 175.52 176.65 1rxs h SER 1075N 0.41 0.09 -0.07 4.18 4.64 -0.12 -0.67 113.55 122.00 1rxs h SER 1075Ca 0.31 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1rxs h SER 1075Cb 0.39 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1rxs h SER 1075CO -0.32 0.30 -0.08 0.40 -0.87 0.00 0.00 176.83 176.26 1rxs h ILE 1076N 0.09 1.37 -0.43 0.95 2.04 -1.13 -2.00 117.51 118.40 1rxs h ILE 1076Ca 0.02 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1rxs h ILE 1076Cb 0.41 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1rxs h ILE 1076CO 0.03 0.34 0.23 0.00 0.00 0.00 0.00 178.15 178.75 1rxs h ALA 1077N 0.56 0.55 -0.18 1.87 0.00 -0.89 -1.37 119.26 119.79 1rxs h ALA 1077Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1077Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rxs h ALA 1077CO 0.02 0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.67 1rxs h VAL 1078N 0.55 1.21 -0.30 0.00 2.07 -1.21 -0.83 116.25 117.75 1rxs h VAL 1078Ca 0.15 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1rxs h VAL 1078Cb 0.07 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1rxs h VAL 1078CO -0.02 0.21 0.15 -0.08 0.02 0.00 0.00 177.57 177.84 1rxs h GLU 1079N 0.10 0.30 -0.06 1.57 4.57 -1.19 0.37 114.58 120.25 1rxs h GLU 1079Ca 0.06 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.03 1rxs h GLU 1079Cb 0.28 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1rxs h GLU 1079CO 0.00 0.20 -0.75 0.93 -1.18 0.00 0.00 179.01 178.21 1rxs h GLU 1080N 0.31 0.38 -0.54 1.92 5.08 -1.22 -1.15 114.58 119.37 1rxs h GLU 1080Ca 0.12 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1rxs h GLU 1080Cb 0.04 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1rxs h GLU 1080CO -0.09 0.97 0.25 -0.07 -1.00 0.00 0.00 179.01 179.07 1rxs h LEU 1081N 0.25 0.71 -0.59 1.33 3.38 -0.99 -2.31 115.31 117.10 1rxs h LEU 1081Ca -0.04 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1rxs h LEU 1081Cb 1.34 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1rxs h LEU 1081CO 0.13 0.65 0.30 0.00 0.09 0.00 0.00 178.44 179.62 1rxs h ALA 1082N 1.09 0.77 -0.61 1.53 0.00 -0.64 -0.37 119.26 121.03 1rxs h ALA 1082Ca 0.18 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1rxs h ALA 1082Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1rxs h ALA 1082CO -0.02 -0.04 0.41 1.96 0.00 0.00 0.00 179.25 181.56 1rxs h GLN 1083N 0.57 0.34 -0.08 0.00 4.20 -0.95 -0.02 115.11 119.17 1rxs h GLN 1083Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1rxs h GLN 1083Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1rxs h GLN 1083CO -0.18 0.22 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 1rxs n LEU 1084N -4.46 1.57 0.00 1.46 4.77 -0.22 -4.92 117.00 115.19 1rxs n LEU 1084Ca 0.10 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1rxs n LEU 1084Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1rxs n LEU 1084CO 0.34 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1rxs n GLY 1085N 1.16 0.84 3.73 -0.72 0.00 -0.02 -4.84 105.19 105.34 1rxs n GLY 1085Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.76 -4.49 121.20 115.38 1rxs s ILE 1086Ca 0.00 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1rxs s ILE 1086Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1rxs s ILE 1086CO 0.00 0.12 0.00 0.54 -1.23 0.00 0.00 174.94 174.37 1rxs n ARG 1087N 2.94 5.36 -4.23 2.79 5.12 0.15 -4.20 116.66 124.58 1rxs n ARG 1087Ca 0.08 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.79 1rxs n ARG 1087Cb 0.42 -0.52 -0.16 0.00 -1.16 0.00 0.00 32.46 31.03 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 -1.03 0.66 -0.12 0.55 2.01 -0.70 -1.08 115.64 115.93 1rxs s THR 1088Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1rxs s THR 1088Cb 0.00 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1rxs s THR 1088CO 0.00 0.25 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.65 1rxs s PHE 1089N 0.90 2.19 -0.24 4.92 0.08 0.10 -0.40 117.98 125.53 1rxs s PHE 1089Ca -0.11 -1.06 -0.01 0.00 0.12 0.00 0.00 56.93 55.87 1rxs s PHE 1089Cb -0.15 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1rxs s PHE 1089CO 0.01 -0.53 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.00 1rxs s LEU 1090N 0.96 3.06 -0.03 -0.37 1.43 -0.16 -1.57 118.68 122.01 1rxs s LEU 1090Ca -0.06 -0.89 -0.20 0.00 -1.03 0.00 0.00 54.13 51.95 1rxs s LEU 1090Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1rxs s LEU 1090CO -0.02 -0.11 0.58 -0.60 0.23 0.00 0.00 176.35 176.43 1rxs s ARG 1091N 1.30 4.32 -0.13 1.70 3.52 -0.06 -0.50 118.95 129.10 1rxs s ARG 1091Ca -0.00 0.70 0.02 0.00 -0.13 0.00 0.00 55.73 56.32 1rxs s ARG 1091Cb -0.16 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1rxs s ARG 1091CO -0.06 0.32 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.05 1rxs s ILE 1092N -0.01 1.88 0.33 4.11 1.10 -1.22 -1.32 121.20 126.08 1rxs s ILE 1092Ca 0.31 -0.87 0.04 0.00 -0.51 0.00 0.00 60.65 59.61 1rxs s ILE 1092Cb -0.18 -1.67 -0.02 0.00 0.15 0.00 0.00 42.46 40.74 1rxs s ILE 1092CO 0.16 0.52 0.35 -0.83 -2.11 0.00 0.00 174.94 173.03 1rxs s GLY 1093N 0.83 2.01 0.11 1.50 0.00 -0.40 -4.09 107.32 107.28 1rxs s GLY 1093Ca -0.08 -1.87 0.08 0.00 0.00 0.00 0.00 44.72 42.85 1rxs s GLY 1093CO -0.01 -1.30 -0.11 -0.51 0.00 0.00 0.00 173.10 171.17 1rxs s THR 1094N -3.29 3.25 0.14 0.90 -4.23 -1.26 -1.69 115.64 109.46 1rxs s THR 1094Ca 0.37 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 59.38 1rxs s THR 1094Cb 0.01 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1rxs s THR 1094CO 0.25 0.09 0.39 0.28 -0.54 0.00 0.00 174.62 175.09 1rxs s THR 1095N -1.24 0.07 -0.22 3.99 -1.32 -0.62 -4.89 115.64 111.41 1rxs s THR 1095Ca 0.21 -0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 59.87 1rxs s THR 1095Cb -0.11 -1.37 -0.00 0.00 -1.51 0.00 0.00 72.50 69.51 1rxs s THR 1095CO 0.13 -0.30 -0.06 -0.83 -2.21 0.00 0.00 174.62 171.35 1rxs s GLY 1096N -2.85 1.58 0.55 6.08 0.00 -1.23 -1.22 107.32 110.23 1rxs s GLY 1096Ca 0.07 -1.21 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 1rxs s GLY 1096CO -0.08 0.42 1.12 0.00 0.00 0.00 0.00 173.10 174.56 1rxs s ALA 1097N 1.44 2.69 -0.06 3.20 0.00 -0.42 -2.27 121.76 126.34 1rxs s ALA 1097Ca 0.05 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1rxs s ALA 1097Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1rxs s ALA 1097CO -0.05 -0.78 0.56 0.44 0.00 0.00 0.00 175.76 175.93 1rxs n ILE 1098N -1.39 0.08 -3.81 0.00 -5.35 0.16 -0.95 119.36 108.10 1rxs n ILE 1098Ca 0.11 -0.54 -0.36 0.00 -0.27 0.00 0.00 62.75 61.70 1rxs n ILE 1098Cb 0.51 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.12 3.91 0.53 6.28 -1.52 -1.24 -4.78 119.66 122.72 1rxs s GLN 1099Ca 0.01 -0.20 0.35 0.00 -1.95 0.00 0.00 55.36 53.57 1rxs s GLN 1099Cb 0.00 -3.32 1.74 0.00 -0.22 0.00 0.00 33.01 31.21 1rxs s GLN 1099CO 0.01 0.46 2.07 -1.00 -0.25 0.00 0.00 175.29 176.58 1rxs h PRO 1100N 6.09 0.00 0.00 2.91 0.13 -1.96 -2.36 132.00 136.80 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rxs h PRO 1100CO 0.69 0.00 -0.43 -2.39 -0.23 0.00 0.00 178.00 175.64 1rxs n HIS 1101N -2.87 0.38 -3.01 1.56 1.44 -1.26 -4.80 115.22 106.67 1rxs n HIS 1101Ca -0.01 0.11 -0.41 0.00 -2.01 0.00 0.00 57.72 55.41 1rxs n HIS 1101Cb 0.16 -0.57 -0.05 0.00 0.12 0.00 0.00 29.99 29.66 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 -3.09 4.97 0.16 0.61 1.01 -0.89 -5.07 121.20 118.90 1rxs s ILE 1102Ca 0.09 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.21 1rxs s ILE 1102Cb 0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1rxs s ILE 1102CO 0.67 0.11 0.19 0.20 0.00 0.00 0.00 174.94 176.11 1rxs s ASN 1103N 1.09 5.80 0.01 3.58 0.02 -1.26 -4.90 114.94 119.28 1rxs s ASN 1103Ca 0.35 -0.03 -0.34 0.00 -1.02 0.00 0.00 52.86 51.82 1rxs s ASN 1103Cb -0.17 -1.60 -0.12 0.00 0.02 0.00 0.00 41.25 39.38 1rxs s ASN 1103CO 0.13 0.06 1.78 0.52 0.02 0.00 0.00 177.10 179.61 1rxs n VAL 1104N -0.45 0.38 0.00 1.60 0.31 -1.26 -0.96 118.33 117.95 1rxs n VAL 1104Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1rxs n VAL 1104Cb 0.55 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 4.06 2.11 3.80 2.92 0.00 -0.79 -5.01 105.19 112.27 1rxs n GLY 1105Ca 0.20 0.00 -0.31 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 -1.15 5.06 -0.10 1.61 -0.00 -0.13 -4.78 116.67 117.17 1rxs s ASP 1106Ca 0.00 1.73 0.01 0.00 -0.00 0.00 0.00 52.55 54.29 1rxs s ASP 1106Cb 0.00 -2.51 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1rxs s ASP 1106CO 0.00 -1.66 -0.14 -0.69 -0.00 0.00 0.00 175.17 172.68 1rxs s VAL 1107N -2.92 3.02 -0.14 -1.27 1.01 -0.47 -1.82 120.40 117.81 1rxs s VAL 1107Ca 0.60 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1rxs s VAL 1107Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1rxs s VAL 1107CO 0.54 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 175.28 1rxs s LEU 1108N -0.08 2.57 -0.24 3.92 1.43 0.30 -0.73 118.68 125.85 1rxs s LEU 1108Ca -0.02 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1rxs s LEU 1108Cb -0.14 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1rxs s LEU 1108CO 0.04 0.13 0.03 -0.69 0.23 0.00 0.00 176.35 176.09 1rxs s VAL 1109N 0.56 4.05 -0.20 -1.59 1.01 0.02 -1.11 120.40 123.15 1rxs s VAL 1109Ca -0.09 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1rxs s VAL 1109Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1rxs s VAL 1109CO 0.04 0.37 0.64 -0.89 0.00 0.00 0.00 175.10 175.26 1rxs s THR 1110N 1.49 5.01 0.04 3.92 2.01 -1.01 -1.92 115.64 125.18 1rxs s THR 1110Ca 0.06 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 63.16 1rxs s THR 1110Cb -0.15 -3.96 -0.33 0.00 0.01 0.00 0.00 72.50 68.08 1rxs s THR 1110CO 0.02 0.10 1.03 0.71 -0.69 0.00 0.00 174.62 175.79 1rxs h THR 1111N 5.19 1.34 -2.83 -0.82 1.35 -1.15 -3.41 112.91 112.58 1rxs h THR 1111Ca -0.31 -2.83 0.04 0.00 -0.55 0.00 0.00 66.41 62.76 1rxs h THR 1111Cb 1.14 2.99 -0.10 0.00 -1.73 0.00 0.00 68.15 70.45 1rxs h THR 1111CO 0.78 0.84 0.28 0.00 -0.25 0.00 0.00 175.52 177.17 1rxs s ALA 1112N -2.62 -1.54 -0.02 6.62 0.00 -1.25 -0.54 121.76 122.40 1rxs s ALA 1112Ca -0.07 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1rxs s ALA 1112Cb 0.05 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1rxs s ALA 1112CO 0.92 -0.85 -0.23 -1.12 0.00 0.00 0.00 175.76 174.49 1rxs s SER 1113N -2.77 2.66 0.03 0.00 0.01 0.07 -2.08 113.70 111.62 1rxs s SER 1113Ca 0.05 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1rxs s SER 1113Cb -0.02 -0.35 -0.08 0.00 0.21 0.00 0.00 66.02 65.78 1rxs s SER 1113CO -0.06 0.27 1.78 -0.69 0.41 0.00 0.00 173.24 174.95 1rxs s VAL 1114N -0.48 3.12 -1.15 3.43 1.01 0.80 -4.32 120.40 122.81 1rxs s VAL 1114Ca 0.07 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1rxs s VAL 1114Cb -0.09 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.20 1rxs s VAL 1114CO -0.00 -0.02 1.43 -0.13 0.00 0.00 0.00 175.10 176.38 1rxs s ARG 1115N 3.67 3.91 -0.45 2.72 0.52 -1.26 -1.43 118.95 126.63 1rxs s ARG 1115Ca 0.80 -2.13 0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1rxs s ARG 1115Cb -0.40 -5.16 0.62 0.00 0.52 0.00 0.00 34.95 30.53 1rxs s ARG 1115CO 0.35 -1.92 1.89 1.28 0.02 0.00 0.00 175.30 176.92 1rxs n LEU 1116N 6.76 6.66 -4.69 2.53 4.77 -0.14 -4.95 117.00 127.94 1rxs n LEU 1116Ca 0.36 -3.57 -0.28 0.00 -0.03 0.00 0.00 56.01 52.49 1rxs n LEU 1116Cb 0.46 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1rxs n LEU 1116CO 0.63 1.06 -0.23 1.51 -1.33 0.00 0.00 177.39 179.03 1rxs s ASP 1117N -1.23 4.11 -0.21 -1.43 -4.77 -1.20 -1.85 116.67 110.09 1rxs s ASP 1117Ca 0.55 -1.34 0.09 0.00 -3.30 0.00 0.00 52.55 48.55 1rxs s ASP 1117Cb 0.46 -0.20 -0.22 0.00 -1.09 0.00 0.00 42.92 41.87 1rxs s ASP 1117CO 0.09 -0.59 0.01 0.61 0.70 0.00 0.00 175.17 176.00 1rxs n GLY 1118N -1.14 -0.71 0.30 2.12 0.00 -1.26 -4.65 105.19 99.85 1rxs n GLY 1118Ca -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 0.53 1.07 -0.98 4.61 0.00 -1.98 -2.96 119.26 119.55 1rxs h ALA 1119Ca -0.53 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.21 1rxs h ALA 1119Cb 2.08 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 1rxs h ALA 1119CO -0.01 0.60 0.63 0.66 0.00 0.00 0.00 179.25 181.12 1rxs h SER 1120N 0.83 0.95 -0.09 0.00 4.64 -1.85 0.97 113.55 119.01 1rxs h SER 1120Ca 0.17 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1rxs h SER 1120Cb 0.42 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1rxs h SER 1120CO 0.01 0.56 0.18 -0.07 -0.87 0.00 0.00 176.83 176.65 1rxs h LEU 1121N 1.05 0.00 0.00 5.97 3.38 -1.63 0.33 115.31 124.42 1rxs h LEU 1121Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1rxs h LEU 1121Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rxs h LEU 1121CO -0.21 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.73 1rxs n HIS 1122N -3.37 0.00 -0.03 1.13 8.25 0.33 -3.87 115.22 117.67 1rxs n HIS 1122Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1rxs n HIS 1122Cb 0.27 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.34 0.00 -3.69 4.41 3.72 0.11 -5.07 117.46 115.59 1rxs n PHE 1123Ca 0.11 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.37 1rxs n PHE 1123Cb 0.25 -0.22 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.08 0.95 4.37 0.00 -0.61 -5.03 121.76 118.24 1rxs s ALA 1124Ca -0.05 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1rxs s ALA 1124Cb 0.02 -0.00 0.16 0.00 0.00 0.00 0.00 23.12 23.29 1rxs s ALA 1124CO 0.16 -0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.47 1rxs s PRO 1125N -1.18 0.84 0.45 0.00 0.04 -1.26 -3.87 135.00 130.03 1rxs s PRO 1125Ca -0.12 0.87 0.13 0.00 0.04 0.00 0.00 61.00 61.93 1rxs s PRO 1125Cb -0.04 -1.76 1.07 0.00 0.04 0.00 0.00 34.50 33.81 1rxs s PRO 1125CO 0.06 -2.54 2.04 1.25 0.04 0.00 0.00 177.00 177.84 1rxs h LEU 1126N -1.77 0.29 -1.40 -3.56 5.85 -1.94 -1.58 115.31 111.19 1rxs h LEU 1126Ca -0.51 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1rxs h LEU 1126Cb 1.29 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rxs h LEU 1126CO 0.53 0.19 0.00 1.05 -0.34 0.00 0.00 178.44 179.87 1rxs h GLU 1127N 0.33 0.00 -6.51 1.25 9.09 -2.03 -3.42 114.58 113.28 1rxs h GLU 1127Ca 0.18 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.06 1rxs h GLU 1127Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1rxs h GLU 1127CO -0.04 0.00 0.43 0.12 0.05 0.00 0.00 179.01 179.57 1rxs s PHE 1128N -3.58 3.63 0.10 2.06 5.36 -0.60 -4.99 117.98 119.96 1rxs s PHE 1128Ca 0.01 1.61 -0.31 0.00 -0.96 0.00 0.00 56.93 57.28 1rxs s PHE 1128Cb 0.09 -3.20 -0.07 0.00 -0.34 0.00 0.00 43.02 39.50 1rxs s PHE 1128CO 0.39 -0.37 1.22 -1.25 -1.46 0.00 0.00 175.22 173.76 1rxs s PRO 1129N 0.55 4.43 -1.35 10.12 0.04 -1.26 -4.92 135.00 142.60 1rxs s PRO 1129Ca 0.52 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.24 1rxs s PRO 1129Cb -0.25 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.01 1rxs s PRO 1129CO 0.30 -0.24 2.08 0.00 0.04 0.00 0.00 177.00 179.18 1rxs n ALA 1130N 3.59 4.79 -2.79 8.56 0.00 -1.26 -4.79 120.51 128.61 1rxs n ALA 1130Ca 0.08 -3.80 -0.35 0.00 0.00 0.00 0.00 53.44 49.37 1rxs n ALA 1130Cb 0.45 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 16.25 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 3.82 4.74 0.54 0.00 0.11 -1.26 -0.75 120.40 127.59 1rxs s VAL 1131Ca 0.50 -0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.30 1rxs s VAL 1131Cb 0.11 -3.06 -0.06 0.00 -1.53 0.00 0.00 36.38 31.84 1rxs s VAL 1131CO -0.03 0.56 1.04 0.00 -3.33 0.00 0.00 175.10 173.34 1rxs s ALA 1132N -0.46 2.83 0.25 1.54 0.00 0.30 -4.67 121.76 121.55 1rxs s ALA 1132Ca 0.10 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1rxs s ALA 1132Cb -0.12 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1rxs s ALA 1132CO 0.02 -0.52 1.67 0.34 0.00 0.00 0.00 175.76 177.27 1rxs s ASP 1133N -2.42 6.36 0.24 0.00 -1.08 0.02 -4.92 116.67 114.87 1rxs s ASP 1133Ca 0.65 2.92 -0.06 0.00 -0.52 0.00 0.00 52.55 55.54 1rxs s ASP 1133Cb -0.16 -2.62 0.28 0.00 -1.46 0.00 0.00 42.92 38.97 1rxs s ASP 1133CO 0.28 -0.96 1.88 0.15 0.52 0.00 0.00 175.17 177.04 1rxs h PHE 1134N 5.91 1.06 -0.31 -5.34 3.04 -1.94 -0.88 116.94 118.47 1rxs h PHE 1134Ca -0.45 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.43 1rxs h PHE 1134Cb 1.21 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1rxs h PHE 1134CO 0.61 0.60 -0.20 0.93 -2.02 0.00 0.00 178.31 178.24 1rxs h GLU 1135N 1.09 0.69 -0.17 1.11 5.08 -1.95 -0.07 114.58 120.37 1rxs h GLU 1135Ca 0.36 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1rxs h GLU 1135Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1rxs h GLU 1135CO -0.13 0.92 0.10 0.00 -1.00 0.00 0.00 179.01 178.91 1rxs h THR 1137N 0.19 1.07 0.22 0.00 2.02 -1.11 0.54 112.91 115.83 1rxs h THR 1137Ca 0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1rxs h THR 1137Cb 0.04 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1rxs h THR 1137CO -0.01 0.12 -0.22 0.74 0.37 0.00 0.00 175.52 176.52 1rxs h THR 1138N 0.68 0.52 -0.85 3.16 2.02 -0.72 -0.49 112.91 117.22 1rxs h THR 1138Ca 0.23 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.53 1rxs h THR 1138Cb 0.01 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 1rxs h THR 1138CO -0.09 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.26 1rxs h ALA 1139N 0.23 1.27 -0.40 6.16 0.00 -0.51 0.96 119.26 126.97 1rxs h ALA 1139Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rxs h ALA 1139Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1rxs h ALA 1139CO -0.05 -0.01 0.09 -0.07 0.00 0.00 0.00 179.25 179.20 1rxs h LEU 1140N 0.70 0.61 -0.58 0.00 3.38 -0.53 0.08 115.31 118.98 1rxs h LEU 1140Ca 0.45 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1rxs h LEU 1140Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1rxs h LEU 1140CO -0.32 0.69 -0.22 0.58 0.09 0.00 0.00 178.44 179.26 1rxs h VAL 1141N 0.50 1.27 -0.21 1.22 2.07 -0.17 -1.26 116.25 119.67 1rxs h VAL 1141Ca 0.12 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 1rxs h VAL 1141Cb 0.33 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1rxs h VAL 1141CO 0.00 0.47 -0.57 -0.33 0.02 0.00 0.00 177.57 177.16 1rxs h GLU 1142N 0.78 0.65 -0.50 1.57 5.08 -0.77 -2.04 114.58 119.35 1rxs h GLU 1142Ca 0.10 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1rxs h GLU 1142Cb 0.78 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1rxs h GLU 1142CO 0.06 1.04 0.19 0.00 -1.00 0.00 0.00 179.01 179.31 1rxs h ALA 1143N 0.87 0.65 -0.85 3.43 0.00 -0.74 -1.47 119.26 121.14 1rxs h ALA 1143Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rxs h ALA 1143Cb 1.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1rxs h ALA 1143CO 0.11 0.27 0.54 0.00 0.00 0.00 0.00 179.25 180.17 1rxs h ALA 1144N 1.04 1.08 -0.82 0.00 0.00 -1.13 -2.07 119.26 117.36 1rxs h ALA 1144Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rxs h ALA 1144Cb 0.21 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1rxs h ALA 1144CO -0.01 0.51 0.34 -0.22 0.00 0.00 0.00 179.25 179.88 1rxs h LYS 1145N 1.16 1.21 0.00 0.00 1.63 -1.06 -1.67 116.57 117.84 1rxs h LYS 1145Ca 0.31 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1rxs h LYS 1145Cb -0.10 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.32 1rxs h LYS 1145CO -0.06 0.96 -0.36 0.66 -3.45 0.00 0.00 179.45 177.20 1rxs h SER 1146N 1.18 0.00 -0.02 4.20 4.64 -0.60 -2.64 113.55 120.32 1rxs h SER 1146Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1rxs h SER 1146Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1rxs h SER 1146CO -0.03 0.36 -0.18 2.30 -0.87 0.00 0.00 176.83 178.41 1rxs n ILE 1147N -3.59 0.00 -1.10 0.95 -6.64 -0.94 -5.01 119.36 103.03 1rxs n ILE 1147Ca -0.01 -0.41 -0.02 0.00 -1.77 0.00 0.00 62.75 60.55 1rxs n ILE 1147Cb 0.48 1.33 -0.01 0.00 -1.44 0.00 0.00 39.64 40.00 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 1.19 0.50 3.78 3.28 0.00 -0.66 -5.03 105.19 108.24 1rxs n GLY 1148Ca 0.10 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.07 3.01 -0.12 4.61 0.00 -1.01 -4.98 121.76 121.20 1rxs s ALA 1149Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1rxs s ALA 1149Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1rxs s ALA 1149CO 0.00 -0.43 1.22 0.95 0.00 0.00 0.00 175.76 177.50 1rxs s THR 1150N -1.64 4.30 -0.00 0.00 -4.23 -1.26 -4.73 115.64 108.07 1rxs s THR 1150Ca 0.62 1.60 0.07 0.00 -1.18 0.00 0.00 61.69 62.79 1rxs s THR 1150Cb -0.24 -4.03 -0.02 0.00 1.34 0.00 0.00 72.50 69.55 1rxs s THR 1150CO 0.30 -0.08 -0.21 -0.89 -0.54 0.00 0.00 174.62 173.20 1rxs s THR 1151N 2.88 1.70 -0.02 3.99 2.01 -1.26 -1.37 115.64 123.56 1rxs s THR 1151Ca 0.55 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.63 1rxs s THR 1151Cb -0.23 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1rxs s THR 1151CO 0.18 0.41 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.27 1rxs s HIS 1152N -0.58 2.19 -0.16 4.92 3.76 0.09 -4.95 115.29 120.56 1rxs s HIS 1152Ca 0.08 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1rxs s HIS 1152Cb -0.08 -1.41 0.03 0.00 1.11 0.00 0.00 32.58 32.23 1rxs s HIS 1152CO -0.00 -0.05 -0.11 0.08 -0.85 0.00 0.00 174.74 173.81 1rxs s VAL 1153N -0.54 1.44 -1.14 -0.90 1.01 -1.26 -0.80 120.40 118.21 1rxs s VAL 1153Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1rxs s VAL 1153Cb -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1rxs s VAL 1153CO -0.01 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1rxs n GLY 1154N 4.79 -0.77 3.85 4.51 0.00 -0.81 -4.94 105.19 111.82 1rxs n GLY 1154Ca -0.15 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.00 5.34 -0.02 1.61 1.01 -1.26 -0.51 120.40 122.58 1rxs s VAL 1155Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.48 1rxs s VAL 1155Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1rxs s VAL 1155CO 0.00 0.58 -0.22 -0.89 0.00 0.00 0.00 175.10 174.57 1rxs s THR 1156N -0.86 2.39 -0.20 3.92 2.01 -0.88 -0.29 115.64 121.72 1rxs s THR 1156Ca 0.17 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1rxs s THR 1156Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1rxs s THR 1156CO 0.07 0.54 0.46 0.00 -0.69 0.00 0.00 174.62 175.00 1rxs s ALA 1157N -0.69 3.55 -0.34 7.40 0.00 0.06 -0.14 121.76 131.60 1rxs s ALA 1157Ca 0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1rxs s ALA 1157Cb -0.10 -2.73 0.07 0.00 0.00 0.00 0.00 23.12 20.35 1rxs s ALA 1157CO 0.00 -0.39 0.08 0.45 0.00 0.00 0.00 175.76 175.90 1rxs s SER 1158N 1.12 5.04 -0.09 0.00 0.15 -0.52 -1.76 113.70 117.66 1rxs s SER 1158Ca 0.22 -1.53 -0.00 0.00 0.70 0.00 0.00 55.95 55.34 1rxs s SER 1158Cb -0.15 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1rxs s SER 1158CO 0.09 -0.36 -0.06 -0.55 1.20 0.00 0.00 173.24 173.55 1rxs s SER 1159N 1.43 4.66 0.09 5.45 0.15 0.21 -0.97 113.70 124.72 1rxs s SER 1159Ca -0.00 -0.05 0.13 0.00 0.70 0.00 0.00 55.95 56.73 1rxs s SER 1159Cb -0.21 -1.31 0.58 0.00 -1.71 0.00 0.00 66.02 63.38 1rxs s SER 1159CO -0.02 0.32 1.40 0.47 1.20 0.00 0.00 173.24 176.61 1rxs n ASP 1160N 2.51 0.19 -4.22 5.45 10.43 -0.77 -4.35 116.55 125.79 1rxs n ASP 1160Ca -0.18 0.56 -0.18 0.00 2.57 0.00 0.00 54.79 57.56 1rxs n ASP 1160Cb 0.53 -0.60 -0.11 0.00 1.84 0.00 0.00 41.12 42.78 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 -3.12 1.25 -0.09 -3.53 -4.23 -1.26 -4.99 115.64 99.67 1rxs s THR 1161Ca 0.03 -1.58 0.14 0.00 -1.18 0.00 0.00 61.69 59.11 1rxs s THR 1161Cb 0.06 -1.38 -0.08 0.00 1.34 0.00 0.00 72.50 72.45 1rxs s THR 1161CO 0.20 -0.35 1.14 0.15 -0.54 0.00 0.00 174.62 175.22 1rxs h PHE 1162N 3.79 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.93 1rxs h PHE 1162Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 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 0.65 0.00 0.66 -2.23 0.00 0.00 178.31 178.04 1rxs n TYR 1163N -3.12 0.00 -0.31 0.41 4.02 -1.26 -4.43 117.16 112.47 1rxs n TYR 1163Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.82 1rxs n TYR 1163Cb 0.83 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 40.28 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 1.19 0.00 -0.72 0.13 -1.87 -0.39 132.00 130.34 1rxs h PRO 1164Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1rxs h PRO 1164Cb 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 30.89 1rxs h PRO 1164CO 0.00 0.86 0.00 0.78 -0.23 0.00 0.00 178.00 179.41 1rxs h GLY 1165N 1.22 0.00 -1.92 1.56 0.00 -1.87 0.16 103.07 102.22 1rxs h GLY 1165Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1rxs h GLY 1165CO -0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 1rxs n GLN 1166N -2.69 3.25 -3.94 4.80 6.02 -0.73 -4.94 117.38 119.14 1rxs n GLN 1166Ca 0.00 -2.78 -0.27 0.00 -0.01 0.00 0.00 57.00 53.93 1rxs n GLN 1166Cb 0.20 -1.83 -0.00 0.00 1.02 0.00 0.00 30.24 29.63 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 -0.11 -4.03 -3.16 -1.09 2.13 0.57 -4.93 120.64 110.02 1rxs n GLU 1167Ca 0.21 0.48 -0.39 0.00 0.66 0.00 0.00 57.16 58.12 1rxs n GLU 1167Cb 0.87 -4.95 -0.06 0.00 0.27 0.00 0.00 31.44 27.57 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 -6.52 4.31 -0.01 5.31 0.52 -0.24 -4.95 118.95 117.38 1rxs s ARG 1168Ca 0.27 0.64 0.20 0.00 -0.52 0.00 0.00 55.73 56.31 1rxs s ARG 1168Cb -0.14 -3.50 -0.25 0.00 0.52 0.00 0.00 34.95 31.58 1rxs s ARG 1168CO 0.87 -0.04 0.74 0.66 0.02 0.00 0.00 175.30 177.55 1rxs n TYR 1169N 4.29 0.00 -2.59 -0.53 4.01 -1.26 -4.42 117.16 116.65 1rxs n TYR 1169Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1rxs n TYR 1169Cb 0.51 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.68 5.06 -3.58 7.72 4.64 -1.26 -4.14 116.55 123.31 1rxs n ASP 1170Ca 0.02 -3.02 -0.20 0.00 -1.38 0.00 0.00 54.79 50.21 1rxs n ASP 1170Cb 0.38 -1.55 -0.08 0.00 -1.04 0.00 0.00 41.12 38.82 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 1.38 0.11 0.19 5.18 -4.23 -1.26 -5.01 115.64 112.00 1rxs s THR 1171Ca 0.43 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1rxs s THR 1171Cb 0.04 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.52 1rxs s THR 1171CO 0.00 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 176.03 1rxs h TYR 1172N 2.13 0.19 0.00 3.99 5.03 -1.99 -3.01 116.97 123.31 1rxs h TYR 1172Ca -0.28 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 60.85 1rxs h TYR 1172Cb 1.24 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.48 1rxs h TYR 1172CO 1.53 0.01 -1.40 0.66 -1.32 0.00 0.00 178.16 177.65 1rxs h SER 1173N 0.26 0.00 -0.32 -2.11 4.64 -1.97 -3.48 113.55 110.57 1rxs h SER 1173Ca 0.25 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 1rxs h SER 1173Cb 0.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1rxs h SER 1173CO -0.32 0.75 -0.12 0.61 -0.87 0.00 0.00 176.83 176.88 1rxs n GLY 1174N 1.43 0.89 3.07 -0.77 0.00 -1.14 -5.00 105.19 103.67 1rxs n GLY 1174Ca -0.10 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.48 0.53 -0.09 1.61 1.70 -1.26 -4.92 118.95 114.05 1rxs s ARG 1175Ca 0.00 -0.92 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1rxs s ARG 1175Cb 0.00 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1rxs s ARG 1175CO 0.00 -0.11 -0.17 0.08 -1.08 0.00 0.00 175.30 174.02 1rxs s VAL 1176N -2.90 1.54 0.29 4.99 1.01 -1.26 -4.92 120.40 119.16 1rxs s VAL 1176Ca -0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1rxs s VAL 1176Cb 0.01 -1.37 -0.15 0.00 0.00 0.00 0.00 36.38 34.87 1rxs s VAL 1176CO -0.06 0.45 0.77 0.55 0.00 0.00 0.00 175.10 176.81 1rxs n VAL 1177N 3.77 1.95 -0.34 2.92 3.14 -1.26 -4.56 118.33 123.95 1rxs n VAL 1177Ca -0.21 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.74 1rxs n VAL 1177Cb 0.52 -0.62 0.16 0.00 -1.06 0.00 0.00 33.84 32.84 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 1.45 0.00 -0.82 1.45 2.43 -1.99 0.90 114.38 117.81 1rxs h ARG 1178Ca -0.36 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1rxs h ARG 1178Cb 1.38 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.87 1rxs h ARG 1178CO 0.58 0.00 0.54 1.25 -1.51 0.00 0.00 179.97 180.82 1rxs h HIS 1179N 0.00 0.66 -0.01 2.20 2.76 -2.03 -2.49 115.15 116.24 1rxs h HIS 1179Ca 0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1rxs h HIS 1179Cb 0.79 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1rxs h HIS 1179CO -0.70 0.25 -0.58 1.19 -1.30 0.00 0.00 177.93 176.79 1rxs n PHE 1180N -4.52 0.00 -1.80 5.26 3.01 0.28 -4.79 117.46 114.90 1rxs n PHE 1180Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 1rxs n PHE 1180Cb 0.48 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.65 4.16 0.00 -1.08 2.20 -0.94 -1.47 119.74 119.96 1rxs s LYS 1181Ca 0.16 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1rxs s LYS 1181Cb 0.18 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1rxs s LYS 1181CO 0.65 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1rxs n GLY 1182N 4.11 0.43 0.19 5.54 0.00 -1.26 -4.92 105.19 109.27 1rxs n GLY 1182Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.38 -0.40 1.61 4.64 -1.56 -2.91 113.55 115.31 1rxs h SER 1183Ca 0.00 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1rxs h SER 1183Cb 0.23 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1rxs h SER 1183CO 0.00 0.86 0.15 -0.03 -0.87 0.00 0.00 176.83 176.94 1rxs h MET 1184N 0.26 0.60 -0.84 4.77 -1.53 -1.91 -1.15 114.93 115.12 1rxs h MET 1184Ca 0.00 -0.12 0.05 0.00 -3.44 0.00 0.00 59.70 56.19 1rxs h MET 1184Cb 1.07 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.98 1rxs h MET 1184CO 0.09 0.58 0.55 1.49 0.14 0.00 0.00 176.91 179.76 1rxs h GLU 1185N 0.49 0.97 -0.04 0.39 4.81 -1.96 0.15 114.58 119.40 1rxs h GLU 1185Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1rxs h GLU 1185Cb 0.21 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1rxs h GLU 1185CO -0.01 0.64 0.01 0.93 -0.73 0.00 0.00 179.01 179.85 1rxs h GLU 1186N 1.00 0.06 -0.88 1.92 4.39 -1.18 -1.95 114.58 117.94 1rxs h GLU 1186Ca 0.34 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.04 1rxs h GLU 1186Cb 0.10 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1rxs h GLU 1186CO -0.11 0.29 0.59 -1.49 -1.16 0.00 0.00 179.01 177.12 1rxs h TRP 1187N -0.18 1.11 -0.11 4.33 -0.00 -0.81 -1.85 115.95 118.43 1rxs h TRP 1187Ca 0.01 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1rxs h TRP 1187Cb 0.26 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.16 28.99 1rxs h TRP 1187CO 0.01 0.69 -0.20 0.37 -0.00 0.00 0.00 178.44 179.31 1rxs h GLN 1188N 1.19 -0.25 0.00 0.49 4.15 -0.58 -1.01 115.11 119.09 1rxs h GLN 1188Ca 0.33 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.74 1rxs h GLN 1188Cb -0.12 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1rxs h GLN 1188CO -0.07 -0.17 -0.11 0.00 -1.93 0.00 0.00 178.83 176.55 1rxs h ALA 1189N 0.72 1.63 -0.07 3.38 0.00 -0.92 -1.43 119.26 122.58 1rxs h ALA 1189Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 1189Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 1189CO -0.26 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 177.79 1rxs n MET 1190N -4.14 1.50 -0.69 0.00 2.81 -0.74 -4.89 117.12 110.97 1rxs n MET 1190Ca -0.03 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1rxs n MET 1190Cb 0.19 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.07 0.66 3.76 3.03 0.00 -0.54 -5.01 105.19 108.16 1rxs n GLY 1191Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.07 2.58 0.03 1.61 1.01 -0.44 -4.66 120.40 118.46 1rxs s VAL 1192Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1rxs s VAL 1192Cb 0.00 -3.34 -0.29 0.00 0.00 0.00 0.00 36.38 32.75 1rxs s VAL 1192CO 0.00 0.10 0.96 0.24 0.00 0.00 0.00 175.10 176.40 1rxs h MET 1193N 4.21 0.31 -2.06 2.72 0.00 -0.97 -3.41 114.93 115.72 1rxs h MET 1193Ca -0.48 -0.53 0.20 0.00 0.00 0.00 0.00 59.70 58.89 1rxs h MET 1193Cb 1.22 0.20 -0.11 0.00 0.00 0.00 0.00 31.60 32.91 1rxs h MET 1193CO 0.72 1.21 0.59 0.54 0.00 0.00 0.00 176.91 179.97 1rxs s ASN 1194N -7.15 -0.19 -0.07 1.22 4.22 -1.26 -0.67 114.94 111.04 1rxs s ASN 1194Ca -0.08 -0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.42 1rxs s ASN 1194Cb 0.06 0.37 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 1rxs s ASN 1194CO 0.88 -0.66 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.92 1rxs s TYR 1195N -2.99 2.97 0.09 1.54 1.51 -0.96 -0.76 117.35 118.75 1rxs s TYR 1195Ca 0.11 0.03 -0.00 0.00 -1.01 0.00 0.00 57.07 56.20 1rxs s TYR 1195Cb 0.00 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1rxs s TYR 1195CO -0.02 0.34 0.12 -0.85 -1.11 0.00 0.00 175.55 174.02 1rxs n GLU 1196N 2.26 0.17 0.00 -0.62 -0.00 -0.72 -3.56 120.64 118.18 1rxs n GLU 1196Ca -0.18 -0.68 0.00 0.00 -0.00 0.00 0.00 57.16 56.30 1rxs n GLU 1196Cb 0.53 0.66 0.00 0.00 -0.00 0.00 0.00 31.44 32.63 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 -0.14 2.50 0.00 3.44 2.81 -1.26 -0.62 117.12 123.85 1rxs n MET 1197Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 1rxs n MET 1197Cb 0.14 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.43 2.31 -0.27 0.03 4.71 -1.26 -3.44 120.64 122.29 1rxs n GLU 1198Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1rxs n GLU 1198Cb 0.24 -0.67 0.22 0.00 -1.01 0.00 0.00 31.44 30.22 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 0.93 -0.55 1.62 4.64 -1.94 -0.79 113.55 117.47 1rxs h SER 1199Ca 0.00 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1rxs h SER 1199Cb 0.21 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1rxs h SER 1199CO 0.00 0.66 0.33 0.00 -0.87 0.00 0.00 176.83 176.95 1rxs h ALA 1200N 1.49 0.70 -0.06 5.18 0.00 -1.87 0.55 119.26 125.25 1rxs h ALA 1200Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1rxs h ALA 1200Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1rxs h ALA 1200CO -0.08 0.05 -0.01 1.15 0.00 0.00 0.00 179.25 180.36 1rxs h THR 1201N 0.66 1.28 0.81 0.00 2.02 -1.74 -2.19 112.91 113.75 1rxs h THR 1201Ca 0.22 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1rxs h THR 1201Cb 0.02 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1rxs h THR 1201CO -0.09 0.24 -0.47 0.25 0.37 0.00 0.00 175.52 175.81 1rxs h LEU 1202N -0.21 -1.17 -1.05 2.58 5.85 -0.67 -1.51 115.31 119.14 1rxs h LEU 1202Ca 0.02 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1rxs h LEU 1202Cb 0.38 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1rxs h LEU 1202CO 0.00 -0.74 0.64 -0.07 -0.34 0.00 0.00 178.44 177.93 1rxs h LEU 1203N -1.20 1.06 -0.14 2.25 3.38 0.01 -1.37 115.31 119.30 1rxs h LEU 1203Ca -0.11 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1rxs h LEU 1203Cb 0.95 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1rxs h LEU 1203CO 0.13 0.72 -0.27 0.74 0.09 0.00 0.00 178.44 179.85 1rxs h THR 1204N 1.22 1.37 -0.40 0.22 2.02 -1.28 -0.70 112.91 115.35 1rxs h THR 1204Ca 0.39 -1.53 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 1rxs h THR 1204Cb 0.03 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1rxs h THR 1204CO -0.13 0.45 -0.06 0.00 0.37 0.00 0.00 175.52 176.15 1rxs h MET 1205N 0.03 0.68 0.03 6.66 -0.00 -1.11 -1.98 114.93 119.24 1rxs h MET 1205Ca 0.01 -0.19 -0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1rxs h MET 1205Cb 0.86 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1rxs h MET 1205CO 0.06 0.74 -0.01 0.00 -0.00 0.00 0.00 176.91 177.70 1rxs h ALA 1207N 0.27 1.45 -0.20 0.00 0.00 -1.08 -0.82 119.26 118.87 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 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rxs h ALA 1207CO 0.01 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1rxs n SER 1208N -3.75 3.11 -0.53 0.00 3.41 -0.75 -4.24 113.62 110.86 1rxs n SER 1208Ca -0.03 -1.97 0.04 0.00 -0.26 0.00 0.00 58.87 56.65 1rxs n SER 1208Cb 0.10 -0.12 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.33 0.44 -1.68 4.33 6.02 -0.60 -5.01 117.38 122.22 1rxs n GLN 1209Ca 0.17 -1.71 -0.16 0.00 -0.01 0.00 0.00 57.00 55.29 1rxs n GLN 1209Cb 0.58 -0.77 -0.05 0.00 1.02 0.00 0.00 30.24 31.02 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 1.13 3.90 1.08 0.00 -0.99 -5.01 105.19 104.93 1rxs n GLY 1210Ca 0.06 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.88 4.33 -0.15 0.99 1.43 -0.41 -5.04 118.68 115.94 1rxs s LEU 1211Ca 0.00 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1rxs s LEU 1211Cb 0.00 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1rxs s LEU 1211CO 0.00 0.22 0.32 -0.13 0.23 0.00 0.00 176.35 176.98 1rxs s ARG 1212N -2.21 4.24 0.04 1.70 0.52 -0.24 -3.85 118.95 119.14 1rxs s ARG 1212Ca 0.31 0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.68 1rxs s ARG 1212Cb -0.13 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 1rxs s ARG 1212CO 0.23 0.25 -0.07 0.00 0.02 0.00 0.00 175.30 175.73 1rxs s ALA 1213N 0.41 0.52 0.11 2.13 0.00 -1.26 0.01 121.76 123.67 1rxs s ALA 1213Ca 0.18 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1rxs s ALA 1213Cb -0.13 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1rxs s ALA 1213CO 0.05 -0.03 0.13 0.20 0.00 0.00 0.00 175.76 176.11 1rxs s GLY 1214N -1.49 0.47 -0.02 0.00 0.00 -0.61 -0.80 107.32 104.88 1rxs s GLY 1214Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1rxs s GLY 1214CO 0.00 -1.06 0.03 1.06 0.00 0.00 0.00 173.10 173.13 1rxs s MET 1215N -3.94 -0.02 0.00 2.90 -1.94 -1.26 -0.88 119.30 114.16 1rxs s MET 1215Ca 0.12 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1rxs s MET 1215Cb 0.06 -0.26 -0.00 0.00 2.01 0.00 0.00 34.83 36.63 1rxs s MET 1215CO -0.05 -0.16 -0.01 0.54 -0.01 0.00 0.00 175.02 175.32 1rxs s VAL 1216N 1.05 0.03 0.01 -6.03 0.11 -0.43 -2.42 120.40 112.72 1rxs s VAL 1216Ca -0.09 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.67 1rxs s VAL 1216Cb -0.13 -0.06 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1rxs s VAL 1216CO -0.03 -0.10 0.19 0.00 -3.33 0.00 0.00 175.10 171.83 1rxs s ALA 1217N -0.31 -0.44 -0.08 1.54 0.00 -0.26 -1.28 121.76 120.93 1rxs s ALA 1217Ca -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1rxs s ALA 1217Cb -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1rxs s ALA 1217CO -0.00 -0.26 0.15 0.20 0.00 0.00 0.00 175.76 175.85 1rxs s GLY 1218N -1.57 2.16 -0.32 0.00 0.00 -0.68 -0.54 107.32 106.36 1rxs s GLY 1218Ca -0.12 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 1rxs s GLY 1218CO 0.01 -0.49 0.99 0.14 0.00 0.00 0.00 173.10 173.75 1rxs s VAL 1219N -1.14 4.58 -0.08 1.40 1.01 -0.75 -1.59 120.40 123.83 1rxs s VAL 1219Ca 0.20 1.54 0.19 0.00 0.00 0.00 0.00 61.98 63.90 1rxs s VAL 1219Cb -0.12 -4.35 -0.29 0.00 0.00 0.00 0.00 36.38 31.63 1rxs s VAL 1219CO 0.10 -0.44 0.31 2.30 0.00 0.00 0.00 175.10 177.37 1rxs n ILE 1220N 5.82 0.44 -3.80 2.22 -5.35 -0.36 -1.89 119.36 116.44 1rxs n ILE 1220Ca 0.09 -0.57 -0.12 0.00 -0.27 0.00 0.00 62.75 61.88 1rxs n ILE 1220Cb 0.47 -0.15 -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 -3.08 0.08 -0.25 7.28 0.11 -1.24 -4.95 120.40 118.36 1rxs s VAL 1221Ca -0.08 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 1rxs s VAL 1221Cb 0.10 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1rxs s VAL 1221CO 0.81 -0.37 -0.02 0.21 -3.33 0.00 0.00 175.10 172.40 1rxs s ASN 1222N -1.75 4.50 0.26 3.54 3.84 -1.26 -1.30 114.94 122.77 1rxs s ASN 1222Ca -0.09 -0.69 0.21 0.00 0.21 0.00 0.00 52.86 52.50 1rxs s ASN 1222Cb -0.03 -1.74 0.99 0.00 -0.55 0.00 0.00 41.25 39.92 1rxs s ASN 1222CO -0.00 -0.11 1.64 0.54 -2.79 0.00 0.00 177.10 176.37 1rxs n ARG 1223N 4.75 0.15 0.00 0.43 5.12 -0.13 -1.92 116.66 125.06 1rxs n ARG 1223Ca -0.17 0.51 0.05 0.00 -1.93 0.00 0.00 57.85 56.32 1rxs n ARG 1223Cb 0.48 -1.87 0.28 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.17 0.00 0.00 0.55 -2.24 -1.26 -3.57 114.28 105.59 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 0.13 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.65 2.79 -3.67 -0.78 10.64 -0.81 -5.10 117.38 119.79 1rxs n GLN 1225Ca 0.07 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.10 1rxs n GLN 1225Cb 0.03 -0.64 -0.07 0.00 -0.86 0.00 0.00 30.24 28.71 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 -0.89 0.85 -0.13 2.61 -0.21 -1.12 -5.09 119.66 115.68 1rxs s GLN 1226Ca 0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 55.36 55.14 1rxs s GLN 1226Cb 0.00 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 1rxs s GLN 1226CO 0.00 -0.27 -0.17 0.39 -2.12 0.00 0.00 175.29 173.13 1rxs n GLU 1227N 0.90 0.41 -3.02 2.91 1.02 -1.26 -3.92 120.64 117.67 1rxs n GLU 1227Ca -0.20 0.49 -0.40 0.00 -0.02 0.00 0.00 57.16 57.03 1rxs n GLU 1227Cb 0.58 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1rxs n GLU 1227CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxs s ILE 1228N -2.15 4.99 0.20 -3.67 -1.09 -1.26 -4.98 121.20 113.24 1rxs s ILE 1228Ca -0.14 1.43 -0.03 0.00 -2.23 0.00 0.00 60.65 59.68 1rxs s ILE 1228Cb 0.02 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1rxs s ILE 1228CO 0.21 0.14 0.11 -2.65 -1.23 0.00 0.00 174.94 171.51 1rxs n PRO 1229N 4.61 -1.33 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.69 1rxs n PRO 1229Ca 0.00 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1rxs n PRO 1229Cb 0.50 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 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 -1.83 0.00 0.22 -0.52 0.00 -1.26 -5.08 117.12 108.65 1rxs n MET 1234Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.81 1rxs n MET 1234Cb 0.07 0.00 0.50 0.00 0.00 0.00 0.00 33.22 33.79 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 -2.85 116.57 117.47 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 0.24 -0.03 1.96 -2.27 0.00 0.00 179.45 179.35 1rxs h GLN 1236N 0.00 0.00 -0.04 1.90 4.20 -2.03 -3.00 115.11 116.14 1rxs h GLN 1236Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1rxs h GLN 1236Cb 0.67 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.45 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 1.45 0.00 -0.54 2.02 -1.86 -2.62 112.91 111.36 1rxs h THR 1237Ca 0.00 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.25 1rxs h THR 1237Cb 0.86 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1rxs h THR 1237CO 0.00 0.53 -0.32 1.05 0.37 0.00 0.00 175.52 177.15 1rxs h GLU 1238N -0.21 0.00 -0.37 6.66 4.11 -1.65 -2.19 114.58 120.93 1rxs h GLU 1238Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1rxs h GLU 1238Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1rxs h GLU 1238CO 0.08 0.32 0.10 0.77 0.07 0.00 0.00 179.01 180.34 1rxs h SER 1239N 0.00 0.49 0.26 3.06 0.02 -1.55 0.64 113.55 116.48 1rxs h SER 1239Ca -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rxs h SER 1239Cb 0.98 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1rxs h SER 1239CO 0.04 0.49 -0.12 0.45 -1.14 0.00 0.00 176.83 176.55 1rxs h HIS 1240N 0.53 -0.32 -0.65 3.45 3.86 -1.05 -2.08 115.15 118.89 1rxs h HIS 1240Ca 0.13 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1rxs h HIS 1240Cb 0.19 0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.71 1rxs h HIS 1240CO 0.01 0.05 0.36 0.00 0.86 0.00 0.00 177.93 179.20 1rxs h ALA 1241N -0.36 0.86 -0.41 2.45 0.00 -1.36 0.29 119.26 120.74 1rxs h ALA 1241Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 1241Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 1241CO 0.06 0.03 0.15 0.28 0.00 0.00 0.00 179.25 179.77 1rxs h VAL 1242N 0.66 1.20 -0.49 0.00 2.07 -0.93 0.72 116.25 119.49 1rxs h VAL 1242Ca 0.29 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1rxs h VAL 1242Cb 0.18 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1rxs h VAL 1242CO -0.18 0.23 0.15 0.50 0.02 0.00 0.00 177.57 178.30 1rxs h LYS 1243N 0.51 0.31 -0.80 1.57 3.64 -1.04 -1.78 116.57 118.99 1rxs h LYS 1243Ca 0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1rxs h LYS 1243Cb 0.21 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1rxs h LYS 1243CO -0.01 0.20 0.43 0.82 -2.27 0.00 0.00 179.45 178.62 1rxs h ILE 1244N 0.32 1.24 -0.26 2.00 2.04 -0.32 -1.06 117.51 121.46 1rxs h ILE 1244Ca 0.24 -0.61 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 1rxs h ILE 1244Cb 0.27 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1rxs h ILE 1244CO -0.26 0.27 -0.49 1.62 0.00 0.00 0.00 178.15 179.29 1rxs h VAL 1245N 1.11 1.29 -0.31 1.67 3.04 -0.49 -0.47 116.25 122.09 1rxs h VAL 1245Ca 0.28 -1.70 -0.03 0.00 -1.01 0.00 0.00 66.70 64.24 1rxs h VAL 1245Cb 0.05 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 1rxs h VAL 1245CO -0.04 0.54 0.06 0.58 -1.01 0.00 0.00 177.57 177.70 1rxs h VAL 1246N 0.57 1.23 -0.30 1.51 2.07 -1.24 -0.24 116.25 119.85 1rxs h VAL 1246Ca 0.03 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1rxs h VAL 1246Cb 1.06 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1rxs h VAL 1246CO 0.10 0.26 -0.01 -0.08 0.02 0.00 0.00 177.57 177.87 1rxs h GLU 1247N 0.34 0.46 -0.33 1.57 4.57 -1.01 -1.44 114.58 118.74 1rxs h GLU 1247Ca 0.10 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1rxs h GLU 1247Cb 0.33 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1rxs h GLU 1247CO 0.00 0.49 -0.15 0.00 -1.18 0.00 0.00 179.01 178.18 1rxs h ALA 1248N 1.56 0.47 -0.53 2.92 0.00 -0.83 -2.89 119.26 119.96 1rxs h ALA 1248Ca 0.10 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1248Cb 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1rxs h ALA 1248CO 0.01 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.72 1rxs h ALA 1249N 0.78 0.59 -0.73 0.00 0.00 -0.55 -1.15 119.26 118.21 1rxs h ALA 1249Ca 0.08 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1rxs h ALA 1249Cb 0.68 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1rxs h ALA 1249CO 0.05 -0.32 0.07 -0.09 0.00 0.00 0.00 179.25 178.95 1rxs h ARG 1250N 0.23 0.15 0.00 0.00 2.43 -1.08 -1.25 114.38 114.86 1rxs h ARG 1250Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1rxs h ARG 1250Cb 0.38 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1rxs h ARG 1250CO -0.36 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.20 1rxs h ARG 1251N 0.16 0.00 -0.16 0.20 3.08 -1.05 -3.12 114.38 113.48 1rxs h ARG 1251Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1rxs h ARG 1251Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1rxs h ARG 1251CO -0.59 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.59 1rxs n LEU 1252N -2.49 3.02 0.00 3.04 4.77 -0.50 -5.06 117.00 119.79 1rxs n LEU 1252Ca 0.04 -1.13 0.13 0.00 -0.03 0.00 0.00 56.01 55.02 1rxs n LEU 1252Cb 0.37 -0.09 0.78 0.00 -2.33 0.00 0.00 43.42 42.15 1rxs n LEU 1252CO 0.27 0.57 0.95 0.18 -1.33 0.00 0.00 177.39 178.03