#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 -4.21 -3.46 3.32 -1.39 -3.47 116.42 107.21 1rxs h ASP 1005Ca 0.00 -0.17 -0.55 0.00 0.02 0.00 0.00 57.03 56.33 1rxs h ASP 1005Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 1rxs h ASP 1005CO 0.00 0.08 -0.83 0.68 -1.72 0.00 0.00 179.24 177.46 1rxs s VAL 1006N -3.22 1.66 0.20 -1.35 -7.23 -1.22 -5.05 120.40 104.19 1rxs s VAL 1006Ca 0.04 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1rxs s VAL 1006Cb 0.12 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.58 1rxs s VAL 1006CO 0.74 -0.03 1.60 0.15 -0.31 0.00 0.00 175.10 177.26 1rxs h PHE 1007N 4.22 0.91 0.00 2.82 3.57 -1.94 -3.34 116.94 123.18 1rxs h PHE 1007Ca -0.45 -0.22 -0.35 0.00 3.53 0.00 0.00 57.97 60.48 1rxs h PHE 1007Cb 1.18 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1rxs h PHE 1007CO 0.60 0.96 -2.30 0.72 -2.23 0.00 0.00 178.31 176.06 1rxs n HIS 1008N -4.10 0.00 0.26 0.41 8.25 -1.26 -4.64 115.22 114.14 1rxs n HIS 1008Ca -0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1rxs n HIS 1008Cb 0.45 -0.87 0.51 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.11 0.00 -2.05 2.41 3.38 -1.93 -3.44 115.31 113.57 1rxs h LEU 1009Ca -0.52 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.09 1rxs h LEU 1009Cb 1.76 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.63 1rxs h LEU 1009CO -0.12 0.01 -0.83 0.61 0.09 0.00 0.00 178.44 178.21 1rxs n GLY 1010N 0.39 -0.57 3.28 0.83 0.00 -1.25 -4.65 105.19 103.21 1rxs n GLY 1010Ca 0.02 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -6.29 2.50 0.18 0.99 1.43 -1.26 -4.74 118.68 111.49 1rxs s LEU 1011Ca 0.15 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1rxs s LEU 1011Cb -0.03 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 1rxs s LEU 1011CO 0.78 -0.23 -0.20 0.42 0.23 0.00 0.00 176.35 177.34 1rxs s THR 1012N -2.90 2.58 0.30 5.49 -4.23 -1.26 -0.88 115.64 114.73 1rxs s THR 1012Ca 0.16 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1rxs s THR 1012Cb -0.00 -2.24 0.30 0.00 1.34 0.00 0.00 72.50 71.89 1rxs s THR 1012CO 0.03 -0.10 1.70 0.50 -0.54 0.00 0.00 174.62 176.21 1rxs h LYS 1013N 3.17 0.42 -0.74 3.99 3.64 -1.96 -0.56 116.57 124.54 1rxs h LYS 1013Ca -0.47 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1rxs h LYS 1013Cb 1.20 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1rxs h LYS 1013CO 0.49 0.28 0.37 -0.97 -2.27 0.00 0.00 179.45 177.35 1rxs h ASN 1014N 0.43 0.47 -0.69 4.20 -0.73 -1.96 -2.57 115.58 114.73 1rxs h ASN 1014Ca 0.59 0.07 0.20 0.00 1.87 0.00 0.00 56.30 59.03 1rxs h ASN 1014Cb 1.15 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.70 1rxs h ASN 1014CO -0.52 0.26 0.50 0.44 -0.37 0.00 0.00 177.43 177.73 1rxs h ASP 1015N 0.61 0.03 1.63 1.15 3.32 -1.50 -1.83 116.42 119.82 1rxs h ASP 1015Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1rxs h ASP 1015Cb 0.42 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1rxs h ASP 1015CO -0.29 0.01 -0.20 -0.07 -1.72 0.00 0.00 179.24 176.97 1rxs h LEU 1016N 0.03 0.00 -1.22 1.55 4.07 -1.53 -3.48 115.31 114.73 1rxs h LEU 1016Ca 0.33 -0.02 -0.52 0.00 0.08 0.00 0.00 57.88 57.75 1rxs h LEU 1016Cb 1.29 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.90 1rxs h LEU 1016CO -0.01 0.01 -0.82 0.00 -1.08 0.00 0.00 178.44 176.54 1rxs n GLN 1017N -2.75 -3.89 -0.80 1.13 6.02 -0.69 -1.25 117.38 115.14 1rxs n GLN 1017Ca 0.04 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1rxs n GLN 1017Cb 0.50 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.64 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 -1.58 0.73 3.70 1.08 0.00 -1.26 -4.79 105.19 103.07 1rxs n GLY 1018Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 0.41 1.26 -0.52 4.61 0.00 -0.38 -4.92 120.51 120.97 1rxs n ALA 1019Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 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 -0.05 0.03 -4.92 0.00 -2.24 -1.26 -4.27 114.28 101.57 1rxs n THR 1020Ca 0.06 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 1rxs n THR 1020Cb 0.38 1.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.03 2.00 -0.03 3.22 0.20 -1.26 0.16 118.68 122.95 1rxs s LEU 1021Ca 0.00 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.50 1rxs s LEU 1021Cb 0.00 -1.00 -0.00 0.00 -0.43 0.00 0.00 46.19 44.76 1rxs s LEU 1021CO 0.00 0.21 -0.14 0.00 -0.29 0.00 0.00 176.35 176.13 1rxs s ALA 1022N -0.30 1.25 -0.22 5.97 0.00 0.26 -1.97 121.76 126.75 1rxs s ALA 1022Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 1rxs s ALA 1022Cb -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1rxs s ALA 1022CO 0.00 0.24 0.42 0.42 0.00 0.00 0.00 175.76 176.84 1rxs s ILE 1023N 0.01 5.17 -0.54 0.00 1.01 -0.17 -0.49 121.20 126.19 1rxs s ILE 1023Ca -0.02 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.39 1rxs s ILE 1023Cb -0.09 -3.74 0.14 0.00 0.01 0.00 0.00 42.46 38.77 1rxs s ILE 1023CO 0.01 0.21 0.29 0.68 0.00 0.00 0.00 174.94 176.14 1rxs s VAL 1024N 1.57 2.73 0.82 2.92 -7.23 0.97 -1.66 120.40 120.52 1rxs s VAL 1024Ca 0.19 -3.35 -0.12 0.00 -1.81 0.00 0.00 61.98 56.89 1rxs s VAL 1024Cb -0.15 -2.87 0.08 0.00 0.56 0.00 0.00 36.38 34.00 1rxs s VAL 1024CO 0.09 -0.82 1.13 -2.16 -0.31 0.00 0.00 175.10 173.03 1rxs s PRO 1025N -0.35 1.90 0.04 4.82 0.04 -1.23 -3.41 135.00 136.81 1rxs s PRO 1025Ca 0.17 0.35 -0.05 0.00 0.04 0.00 0.00 61.00 61.52 1rxs s PRO 1025Cb -0.24 -1.92 -0.29 0.00 0.04 0.00 0.00 34.50 32.09 1rxs s PRO 1025CO -0.01 -1.69 1.00 0.78 0.04 0.00 0.00 177.00 177.12 1rxs h GLY 1026N -1.13 0.34 -7.25 0.56 0.00 -1.85 -1.72 103.07 92.03 1rxs h GLY 1026Ca -0.47 -0.88 -0.62 0.00 0.00 0.00 0.00 47.33 45.35 1rxs h GLY 1026CO 0.63 0.77 -0.39 -0.35 0.00 0.00 0.00 176.54 177.20 1rxs s ASP 1027N -7.14 6.18 0.41 0.19 3.68 -1.26 -0.93 116.67 117.79 1rxs s ASP 1027Ca -0.07 0.19 0.16 0.00 2.13 0.00 0.00 52.55 54.96 1rxs s ASP 1027Cb 0.07 -2.16 1.05 0.00 -1.45 0.00 0.00 42.92 40.43 1rxs s ASP 1027CO 0.88 -0.05 1.85 1.55 0.13 0.00 0.00 175.17 179.52 1rxs h PRO 1028N 7.90 0.43 0.00 4.34 0.13 -1.90 -1.82 132.00 141.08 1rxs h PRO 1028Ca -0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1rxs h PRO 1028Cb 1.17 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1rxs h PRO 1028CO 0.63 0.29 0.00 -0.44 -0.23 0.00 0.00 178.00 178.25 1rxs h ASP 1029N 0.45 0.00 0.47 1.44 3.32 -1.95 -2.52 116.42 117.62 1rxs h ASP 1029Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1rxs h ASP 1029Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1rxs h ASP 1029CO -0.20 0.00 -0.48 -1.14 -1.72 0.00 0.00 179.24 175.70 1rxs n ARG 1030N -2.89 0.09 -0.01 3.56 0.63 -0.69 -4.34 116.66 113.02 1rxs n ARG 1030Ca 0.01 -0.05 -0.12 0.00 -0.92 0.00 0.00 57.85 56.77 1rxs n ARG 1030Cb 0.31 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.64 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 0.13 1.25 -0.79 5.15 2.07 -1.46 -2.78 116.25 119.82 1rxs h VAL 1031Ca 0.00 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1rxs h VAL 1031Cb 0.50 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1rxs h VAL 1031CO 0.00 0.21 0.42 -0.08 0.02 0.00 0.00 177.57 178.14 1rxs h GLU 1032N -0.19 1.11 -0.60 1.57 4.81 -1.76 -1.51 114.58 118.01 1rxs h GLU 1032Ca 0.02 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1rxs h GLU 1032Cb 0.33 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1rxs h GLU 1032CO 0.00 0.83 0.29 0.87 -0.73 0.00 0.00 179.01 180.27 1rxs h LYS 1033N 1.10 0.51 -0.07 1.92 1.57 -1.75 -0.35 116.57 119.50 1rxs h LYS 1033Ca 0.28 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1rxs h LYS 1033Cb 0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1rxs h LYS 1033CO -0.04 0.34 -0.01 0.82 -0.57 0.00 0.00 179.45 179.98 1rxs h ILE 1034N 0.53 1.28 -0.80 1.86 2.04 -1.18 -3.02 117.51 118.23 1rxs h ILE 1034Ca 0.28 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.33 1rxs h ILE 1034Cb 0.25 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1rxs h ILE 1034CO -0.22 0.25 0.52 0.00 0.00 0.00 0.00 178.15 178.69 1rxs h ALA 1035N 0.68 1.72 0.00 1.87 0.00 -1.04 -1.83 119.26 120.66 1rxs h ALA 1035Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rxs h ALA 1035Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rxs h ALA 1035CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1rxs h ALA 1036N 1.59 1.00 -0.00 0.00 0.00 -0.93 -1.04 119.26 119.88 1rxs h ALA 1036Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1rxs h ALA 1036Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 1036CO -0.14 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.39 1rxs n LEU 1037N -2.58 0.01 -4.82 0.00 4.32 -0.69 -4.86 117.00 108.38 1rxs n LEU 1037Ca -0.01 0.31 -0.31 0.00 -0.02 0.00 0.00 56.01 55.98 1rxs n LEU 1037Cb 0.13 -0.32 -0.05 0.00 -1.62 0.00 0.00 43.42 41.57 1rxs n LEU 1037CO 0.17 0.00 -0.15 -0.04 -1.22 0.00 0.00 177.39 176.16 1rxs s MET 1038N -2.64 2.23 0.34 3.23 -1.94 -0.40 -5.13 119.30 114.99 1rxs s MET 1038Ca 0.26 -2.31 -0.13 0.00 -1.71 0.00 0.00 55.69 51.80 1rxs s MET 1038Cb 0.20 -1.71 -0.08 0.00 2.01 0.00 0.00 34.83 35.25 1rxs s MET 1038CO 0.47 -0.49 0.73 -0.51 -0.01 0.00 0.00 175.02 175.21 1rxs s ASP 1039N -4.04 6.69 -1.28 3.03 -0.00 -0.23 -4.47 116.67 116.36 1rxs s ASP 1039Ca 0.13 1.20 -0.19 0.00 -0.00 0.00 0.00 52.55 53.69 1rxs s ASP 1039Cb -0.00 -2.34 0.02 0.00 -0.00 0.00 0.00 42.92 40.59 1rxs s ASP 1039CO 0.08 -0.25 0.55 0.29 -0.00 0.00 0.00 175.17 175.84 1rxs n LYS 1040N -0.60 -1.15 -2.26 8.23 5.02 -1.26 -0.18 118.16 125.96 1rxs n LYS 1040Ca 0.03 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.14 1rxs n LYS 1040Cb 0.53 -3.47 -0.03 0.00 -0.02 0.00 0.00 35.03 32.04 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 -6.89 4.39 -0.03 1.97 0.04 -1.26 -4.39 135.00 128.82 1rxs s PRO 1041Ca 0.32 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 1rxs s PRO 1041Cb -0.15 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1rxs s PRO 1041CO 0.93 -0.29 0.03 0.08 0.04 0.00 0.00 177.00 177.79 1rxs s VAL 1042N 0.60 -0.03 0.15 -0.36 1.01 0.07 -5.00 120.40 116.86 1rxs s VAL 1042Ca 0.59 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.52 1rxs s VAL 1042Cb -0.35 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 1rxs s VAL 1042CO 0.34 0.13 1.56 -0.75 0.00 0.00 0.00 175.10 176.38 1rxs s LYS 1043N 1.43 4.22 -0.27 2.72 2.20 -1.26 -1.08 119.74 127.71 1rxs s LYS 1043Ca -0.04 2.34 -0.15 0.00 -0.36 0.00 0.00 55.97 57.75 1rxs s LYS 1043Cb -0.13 -3.19 -0.12 0.00 -1.51 0.00 0.00 37.83 32.87 1rxs s LYS 1043CO -0.03 -0.60 -0.29 1.28 -0.36 0.00 0.00 175.35 175.34 1rxs n LEU 1044N 4.09 1.95 -3.53 5.43 4.77 0.84 -4.91 117.00 125.64 1rxs n LEU 1044Ca 0.14 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.37 1rxs n LEU 1044Cb 0.39 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1rxs n LEU 1044CO 0.61 0.50 0.52 0.00 -1.33 0.00 0.00 177.39 177.69 1rxs s ALA 1045N -2.51 -1.62 -0.24 -1.18 0.00 -1.03 -5.01 121.76 110.16 1rxs s ALA 1045Ca -0.37 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1rxs s ALA 1045Cb 0.13 0.73 0.13 0.00 0.00 0.00 0.00 23.12 24.11 1rxs s ALA 1045CO 0.50 -0.80 0.38 0.45 0.00 0.00 0.00 175.76 176.28 1rxs s SER 1046N -2.71 0.21 -0.04 0.00 0.15 -1.26 -0.81 113.70 109.24 1rxs s SER 1046Ca 0.04 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.91 1rxs s SER 1046Cb -0.02 1.14 0.03 0.00 -1.71 0.00 0.00 66.02 65.45 1rxs s SER 1046CO -0.08 -0.30 0.10 -1.00 1.20 0.00 0.00 173.24 173.16 1rxs s HIS 1047N 2.55 -0.10 0.00 3.44 3.76 -0.40 -4.99 115.29 119.55 1rxs s HIS 1047Ca 0.13 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 1rxs s HIS 1047Cb -0.15 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1rxs s HIS 1047CO -0.16 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1rxs n ARG 1048N 3.74 0.00 -0.16 1.40 1.74 -1.26 0.11 116.66 122.23 1rxs n ARG 1048Ca -0.21 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.94 1rxs n ARG 1048Cb 0.54 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.19 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 1.81 -3.45 5.56 0.00 -1.26 -4.77 120.64 132.53 1rxs n GLU 1049Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 57.16 55.48 1rxs n GLU 1049Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 31.44 30.07 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 -1.58 3.38 -0.17 -1.84 0.40 0.12 -3.93 117.98 114.35 1rxs s PHE 1050Ca 0.26 -1.69 -0.06 0.00 -0.60 0.00 0.00 56.93 54.85 1rxs s PHE 1050Cb 0.14 -3.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1rxs s PHE 1050CO 0.19 -1.00 0.02 0.99 0.70 0.00 0.00 175.22 176.12 1rxs s THR 1051N 1.33 4.43 -0.13 0.64 2.01 -1.26 -1.28 115.64 121.38 1rxs s THR 1051Ca 0.06 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1rxs s THR 1051Cb -0.26 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1rxs s THR 1051CO 0.00 0.48 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.34 1rxs s THR 1052N 0.35 1.71 0.14 -0.82 2.01 0.01 -1.45 115.64 117.59 1rxs s THR 1052Ca 0.00 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.33 1rxs s THR 1052Cb -0.13 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1rxs s THR 1052CO 0.01 0.48 -0.13 0.26 -0.69 0.00 0.00 174.62 174.55 1rxs s TRP 1053N 1.07 2.61 -0.02 4.92 0.52 0.51 -0.11 118.94 128.43 1rxs s TRP 1053Ca -0.03 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.88 1rxs s TRP 1053Cb -0.14 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1rxs s TRP 1053CO -0.04 0.45 -0.07 0.50 0.02 0.00 0.00 176.95 177.81 1rxs s ARG 1054N -2.44 2.63 0.00 4.98 3.52 -0.24 0.25 118.95 127.64 1rxs s ARG 1054Ca 0.21 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1rxs s ARG 1054Cb -0.10 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1rxs s ARG 1054CO 0.13 0.62 0.00 0.00 -0.81 0.00 0.00 175.30 175.24 1rxs n ALA 1055N 1.78 0.00 -2.97 6.12 0.00 0.39 -0.75 120.51 125.09 1rxs n ALA 1055Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 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 -1.24 0.34 -0.09 0.00 2.12 0.75 -0.79 118.70 119.78 1rxs s GLU 1056Ca 0.00 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 1rxs s GLU 1056Cb 0.00 -0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.06 1rxs s GLU 1056CO 0.00 0.04 0.02 -1.17 -0.54 0.00 0.00 175.26 173.61 1rxs s LEU 1057N 0.12 0.60 -1.48 2.70 2.96 0.15 -1.07 118.68 122.66 1rxs s LEU 1057Ca -0.01 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 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 0.18 0.47 -1.32 0.00 0.00 176.35 175.44 1rxs n ASP 1058N 5.16 0.19 -0.09 3.68 8.00 -1.26 -1.00 116.55 131.23 1rxs n ASP 1058Ca -0.07 -1.20 -0.01 0.00 0.71 0.00 0.00 54.79 54.22 1rxs n ASP 1058Cb 0.49 -2.06 -0.01 0.00 -0.02 0.00 0.00 41.12 39.53 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 -2.37 0.32 3.47 0.44 0.00 -1.26 -5.01 105.19 100.79 1rxs n GLY 1059Ca -0.31 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.32 2.73 0.27 1.61 1.02 -0.17 -5.08 119.74 118.79 1rxs s LYS 1060Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 1rxs s LYS 1060Cb 0.00 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 1rxs s LYS 1060CO 0.00 0.54 1.19 -1.25 -0.92 0.00 0.00 175.35 174.91 1rxs s PRO 1061N -0.51 4.52 0.00 -1.68 0.04 -1.26 -0.68 135.00 135.43 1rxs s PRO 1061Ca 0.07 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1rxs s PRO 1061Cb -0.12 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1rxs s PRO 1061CO 0.02 0.01 -0.04 0.08 0.04 0.00 0.00 177.00 177.11 1rxs s VAL 1062N -0.83 0.30 -0.04 -0.36 1.01 0.02 -4.36 120.40 116.15 1rxs s VAL 1062Ca 0.48 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1rxs s VAL 1062Cb -0.34 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1rxs s VAL 1062CO 0.43 -0.01 0.18 -0.63 0.00 0.00 0.00 175.10 175.08 1rxs s ILE 1063N -0.31 5.43 -0.14 2.22 -1.09 -0.83 -0.46 121.20 126.02 1rxs s ILE 1063Ca -0.01 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1rxs s ILE 1063Cb -0.03 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1rxs s ILE 1063CO -0.00 0.43 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.25 1rxs s VAL 1064N -1.22 1.90 -0.06 2.92 1.01 0.14 -1.00 120.40 124.08 1rxs s VAL 1064Ca 0.23 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1rxs s VAL 1064Cb -0.13 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.60 1rxs s VAL 1064CO 0.13 0.52 0.14 0.00 0.00 0.00 0.00 175.10 175.89 1rxs s SER 1066N 1.28 7.08 -0.00 0.00 1.04 -0.53 -3.54 113.70 119.03 1rxs s SER 1066Ca -0.08 1.60 0.22 0.00 0.48 0.00 0.00 55.95 58.17 1rxs s SER 1066Cb -0.12 -2.50 -0.29 0.00 0.10 0.00 0.00 66.02 63.22 1rxs s SER 1066CO -0.06 -0.14 0.58 0.35 0.98 0.00 0.00 173.24 174.95 1rxs n THR 1067N 0.14 0.07 -1.19 2.02 -2.24 -0.65 -4.39 114.28 108.04 1rxs n THR 1067Ca 0.02 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1rxs n THR 1067Cb 0.52 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.09 3.72 3.38 0.00 -0.10 -3.37 105.19 108.00 1rxs n GLY 1068Ca -0.03 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1rxs n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1069N -1.08 5.03 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.58 1rxs s ILE 1069Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1rxs s ILE 1069Cb 0.00 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1rxs s ILE 1069CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1rxs n GLY 1070N 3.06 2.01 0.19 6.18 0.00 -1.25 -4.59 105.19 110.79 1rxs n GLY 1070Ca -0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 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 0.45 0.74 -0.02 0.00 -1.86 -1.69 103.07 100.70 1rxs h GLY 1071Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1rxs h GLY 1071CO 0.00 -0.13 -0.08 -2.55 0.00 0.00 0.00 176.54 173.78 1rxs h PRO 1072N 0.10 -0.11 -0.17 4.80 0.11 -1.94 0.34 132.00 135.13 1rxs h PRO 1072Ca 0.23 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.18 1rxs h PRO 1072Cb 0.34 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1rxs h PRO 1072CO -0.39 -0.07 -0.57 0.66 -0.21 0.00 0.00 178.00 177.42 1rxs h SER 1073N -0.11 0.59 -0.74 -2.05 4.64 -1.78 -2.29 113.55 111.81 1rxs h SER 1073Ca 0.05 -0.32 0.09 0.00 -0.47 0.00 0.00 61.79 61.14 1rxs h SER 1073Cb 0.18 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.03 1rxs h SER 1073CO -0.11 1.04 0.39 0.74 -0.87 0.00 0.00 176.83 178.01 1rxs h THR 1074N 0.41 0.87 0.00 2.95 2.02 -0.73 -1.12 112.91 117.31 1rxs h THR 1074Ca 0.00 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1rxs h THR 1074Cb 1.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1rxs h THR 1074CO 0.11 0.12 -0.19 0.77 0.37 0.00 0.00 175.52 176.69 1rxs h SER 1075N 0.65 0.00 -0.04 4.18 4.64 0.22 -0.61 113.55 122.59 1rxs h SER 1075Ca 0.36 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.62 1rxs h SER 1075Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1rxs h SER 1075CO -0.26 0.19 -0.20 0.40 -0.87 0.00 0.00 176.83 176.09 1rxs h ILE 1076N 0.00 1.46 -0.55 0.95 2.04 -0.88 -2.49 117.51 118.04 1rxs h ILE 1076Ca -0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 1rxs h ILE 1076Cb 0.43 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1rxs h ILE 1076CO 0.03 0.46 0.24 0.00 0.00 0.00 0.00 178.15 178.88 1rxs h ALA 1077N 0.39 0.72 0.05 1.87 0.00 -0.90 -1.28 119.26 120.11 1rxs h ALA 1077Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rxs h ALA 1077Cb 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxs h ALA 1077CO 0.04 0.30 -0.03 0.28 0.00 0.00 0.00 179.25 179.85 1rxs h VAL 1078N 0.75 1.15 -0.39 0.00 2.07 -1.20 0.31 116.25 118.94 1rxs h VAL 1078Ca 0.19 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1rxs h VAL 1078Cb 0.16 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1rxs h VAL 1078CO -0.02 0.17 -0.10 -0.08 0.02 0.00 0.00 177.57 177.57 1rxs h GLU 1079N -0.38 -0.00 -0.09 1.57 4.57 -1.38 0.18 114.58 119.04 1rxs h GLU 1079Ca -0.01 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 1rxs h GLU 1079Cb 0.34 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1rxs h GLU 1079CO 0.01 -0.00 -0.75 0.93 -1.18 0.00 0.00 179.01 178.02 1rxs h GLU 1080N -0.00 0.51 -0.82 1.92 5.08 -1.15 -0.71 114.58 119.41 1rxs h GLU 1080Ca 0.19 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1rxs h GLU 1080Cb 0.28 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1rxs h GLU 1080CO -0.40 1.05 0.54 -0.07 -1.00 0.00 0.00 179.01 179.13 1rxs h LEU 1081N 0.34 0.93 -1.06 1.33 3.38 -0.58 -2.28 115.31 117.37 1rxs h LEU 1081Ca -0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1rxs h LEU 1081Cb 1.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1rxs h LEU 1081CO 0.14 0.67 0.20 0.00 0.09 0.00 0.00 178.44 179.53 1rxs h ALA 1082N 1.31 1.25 -0.11 1.53 0.00 -0.15 0.60 119.26 123.68 1rxs h ALA 1082Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rxs h ALA 1082Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1rxs h ALA 1082CO -0.07 0.54 -0.04 1.96 0.00 0.00 0.00 179.25 181.64 1rxs h GLN 1083N 0.85 0.16 -0.02 0.00 4.20 -0.64 -2.23 115.11 117.43 1rxs h GLN 1083Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1rxs h GLN 1083Cb 0.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1rxs h GLN 1083CO -0.01 0.22 0.00 1.28 -0.67 0.00 0.00 178.83 179.65 1rxs n LEU 1084N -4.40 1.61 0.00 1.46 4.77 0.14 -4.92 117.00 115.66 1rxs n LEU 1084Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1rxs n LEU 1084Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rxs n LEU 1084CO 0.36 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1rxs n GLY 1085N 1.19 1.07 3.75 -0.72 0.00 -0.82 -4.81 105.19 104.85 1rxs n GLY 1085Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1rxs n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1086N -2.00 2.67 0.00 -0.61 -1.09 -0.81 -4.47 121.20 114.88 1rxs s ILE 1086Ca 0.00 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1rxs s ILE 1086Cb 0.00 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1rxs s ILE 1086CO 0.00 0.11 0.12 0.54 -1.23 0.00 0.00 174.94 174.48 1rxs n ARG 1087N 1.82 2.73 -4.12 2.79 5.12 0.12 -4.31 116.66 120.81 1rxs n ARG 1087Ca 0.05 -0.12 -0.19 0.00 -1.93 0.00 0.00 57.85 55.65 1rxs n ARG 1087Cb 0.41 -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 -0.42 0.45 -0.11 0.55 2.01 -0.82 -1.70 115.64 115.60 1rxs s THR 1088Ca 0.00 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1rxs s THR 1088Cb 0.00 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1rxs s THR 1088CO 0.00 0.20 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.65 1rxs s PHE 1089N 0.89 1.82 -0.25 4.92 0.08 0.77 -0.58 117.98 125.64 1rxs s PHE 1089Ca -0.11 -0.89 -0.01 0.00 0.12 0.00 0.00 56.93 56.03 1rxs s PHE 1089Cb -0.14 -1.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1rxs s PHE 1089CO -0.00 -0.50 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.04 1rxs s LEU 1090N 1.22 3.16 -0.03 -0.37 1.43 0.36 -1.61 118.68 122.83 1rxs s LEU 1090Ca -0.03 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.00 1rxs s LEU 1090Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1rxs s LEU 1090CO -0.04 -0.12 0.59 -0.60 0.23 0.00 0.00 176.35 176.40 1rxs s ARG 1091N 1.32 4.33 -0.15 1.70 3.52 -0.16 -0.02 118.95 129.50 1rxs s ARG 1091Ca 0.00 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1rxs s ARG 1091Cb -0.17 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1rxs s ARG 1091CO -0.05 0.29 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.06 1rxs s ILE 1092N 0.09 1.76 0.34 4.11 1.10 -1.22 -1.09 121.20 126.29 1rxs s ILE 1092Ca 0.31 -0.77 0.06 0.00 -0.51 0.00 0.00 60.65 59.73 1rxs s ILE 1092Cb -0.18 -1.61 -0.03 0.00 0.15 0.00 0.00 42.46 40.80 1rxs s ILE 1092CO 0.16 0.49 0.23 -0.83 -2.11 0.00 0.00 174.94 172.88 1rxs s GLY 1093N 1.21 2.32 0.18 1.50 0.00 -0.37 -4.02 107.32 108.13 1rxs s GLY 1093Ca 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 42.96 1rxs s GLY 1093CO -0.08 -1.56 0.03 -0.51 0.00 0.00 0.00 173.10 170.98 1rxs s THR 1094N -3.46 3.86 0.20 0.90 -4.23 -1.26 -1.79 115.64 109.86 1rxs s THR 1094Ca 0.36 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 59.32 1rxs s THR 1094Cb 0.03 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.94 1rxs s THR 1094CO 0.23 -0.12 0.52 0.28 -0.54 0.00 0.00 174.62 174.99 1rxs s THR 1095N -1.76 0.03 -0.19 3.99 -1.32 -0.67 -4.88 115.64 110.83 1rxs s THR 1095Ca 0.28 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1rxs s THR 1095Cb -0.09 -1.60 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1rxs s THR 1095CO 0.20 -0.11 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.53 1rxs s GLY 1096N -2.88 1.49 0.55 6.08 0.00 -1.24 -1.00 107.32 110.32 1rxs s GLY 1096Ca 0.10 -1.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.46 1rxs s GLY 1096CO -0.02 0.29 1.10 0.00 0.00 0.00 0.00 173.10 174.47 1rxs s ALA 1097N 1.28 2.72 0.00 3.20 0.00 -0.52 -2.38 121.76 126.05 1rxs s ALA 1097Ca 0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1rxs s ALA 1097Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1rxs s ALA 1097CO -0.07 -0.72 0.81 0.44 0.00 0.00 0.00 175.76 176.23 1rxs n ILE 1098N -1.40 0.63 -4.14 0.00 -5.35 0.07 -1.21 119.36 107.96 1rxs n ILE 1098Ca 0.11 -0.80 -0.34 0.00 -0.27 0.00 0.00 62.75 61.44 1rxs n ILE 1098Cb 0.52 0.69 -0.10 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.63 3.79 0.49 6.28 -1.52 -1.24 -4.80 119.66 122.02 1rxs s GLN 1099Ca 0.00 -0.39 0.33 0.00 -1.95 0.00 0.00 55.36 53.35 1rxs s GLN 1099Cb 0.00 -3.10 1.65 0.00 -0.22 0.00 0.00 33.01 31.34 1rxs s GLN 1099CO 0.00 0.33 2.00 -1.00 -0.25 0.00 0.00 175.29 176.37 1rxs h PRO 1100N 6.48 0.00 0.00 2.91 0.13 -1.96 -2.33 132.00 137.23 1rxs h PRO 1100Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.67 0.00 -0.39 -2.39 -0.23 0.00 0.00 178.00 175.65 1rxs n HIS 1101N -2.74 0.29 -3.22 1.56 1.44 -1.26 -4.80 115.22 106.49 1rxs n HIS 1101Ca -0.01 0.08 -0.39 0.00 -2.01 0.00 0.00 57.72 55.39 1rxs n HIS 1101Cb 0.14 -0.51 -0.06 0.00 0.12 0.00 0.00 29.99 29.68 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 -3.07 5.10 0.17 0.61 1.01 -0.88 -5.07 121.20 119.08 1rxs s ILE 1102Ca 0.10 1.04 0.05 0.00 0.00 0.00 0.00 60.65 61.84 1rxs s ILE 1102Cb 0.16 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1rxs s ILE 1102CO 0.66 0.20 0.19 0.20 0.00 0.00 0.00 174.94 176.19 1rxs s ASN 1103N 1.02 5.77 0.01 3.58 0.02 -1.26 -4.88 114.94 119.19 1rxs s ASN 1103Ca 0.27 -0.06 -0.33 0.00 -1.02 0.00 0.00 52.86 51.72 1rxs s ASN 1103Cb -0.16 -1.58 -0.12 0.00 0.02 0.00 0.00 41.25 39.42 1rxs s ASN 1103CO 0.11 0.05 1.81 0.52 0.02 0.00 0.00 177.10 179.60 1rxs n VAL 1104N -0.54 0.43 0.00 1.60 0.31 -1.26 -0.85 118.33 118.02 1rxs n VAL 1104Ca -0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1rxs n VAL 1104Cb 0.55 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 4.16 2.42 3.82 2.92 0.00 -0.65 -5.01 105.19 112.85 1rxs n GLY 1105Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.66 4.93 -0.08 1.61 -0.00 -0.03 -4.80 116.67 116.63 1rxs s ASP 1106Ca 0.00 1.34 0.04 0.00 -0.00 0.00 0.00 52.55 53.93 1rxs s ASP 1106Cb 0.00 -2.13 -0.01 0.00 -0.00 0.00 0.00 42.92 40.78 1rxs s ASP 1106CO 0.00 -1.70 -0.21 -0.69 -0.00 0.00 0.00 175.17 172.57 1rxs s VAL 1107N -3.17 2.40 -0.17 -1.27 1.01 -0.59 -2.11 120.40 116.50 1rxs s VAL 1107Ca 0.59 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1rxs s VAL 1107Cb -0.14 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1rxs s VAL 1107CO 0.54 0.56 -0.08 -0.76 0.00 0.00 0.00 175.10 175.36 1rxs s LEU 1108N 0.01 2.91 -0.23 3.92 1.43 0.53 -0.57 118.68 126.68 1rxs s LEU 1108Ca -0.07 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1rxs s LEU 1108Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1rxs s LEU 1108CO 0.05 0.10 0.06 -0.69 0.23 0.00 0.00 176.35 176.10 1rxs s VAL 1109N 0.76 4.35 -0.17 -1.59 1.01 0.40 -1.09 120.40 124.07 1rxs s VAL 1109Ca -0.03 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1rxs s VAL 1109Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1rxs s VAL 1109CO 0.02 0.37 0.57 -0.89 0.00 0.00 0.00 175.10 175.17 1rxs s THR 1110N 1.35 5.08 0.03 3.92 2.01 -1.01 -1.95 115.64 125.07 1rxs s THR 1110Ca 0.05 1.10 -0.07 0.00 0.31 0.00 0.00 61.69 63.08 1rxs s THR 1110Cb -0.15 -3.90 -0.30 0.00 0.01 0.00 0.00 72.50 68.16 1rxs s THR 1110CO 0.03 0.19 0.96 0.71 -0.69 0.00 0.00 174.62 175.82 1rxs h THR 1111N 5.03 1.27 -2.67 -0.82 1.35 -1.11 -3.40 112.91 112.55 1rxs h THR 1111Ca -0.35 -2.83 0.07 0.00 -0.55 0.00 0.00 66.41 62.75 1rxs h THR 1111Cb 1.16 2.88 -0.11 0.00 -1.73 0.00 0.00 68.15 70.35 1rxs h THR 1111CO 0.76 0.84 0.35 0.00 -0.25 0.00 0.00 175.52 177.22 1rxs s ALA 1112N -2.62 -1.61 0.02 6.62 0.00 -1.26 -0.49 121.76 122.42 1rxs s ALA 1112Ca -0.08 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1rxs s ALA 1112Cb 0.06 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1rxs s ALA 1112CO 0.88 -0.84 -0.24 -1.12 0.00 0.00 0.00 175.76 174.44 1rxs s SER 1113N -2.73 2.87 -0.03 0.00 0.01 -0.05 -1.85 113.70 111.91 1rxs s SER 1113Ca 0.06 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1rxs s SER 1113Cb -0.02 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1rxs s SER 1113CO -0.06 0.25 1.62 -0.69 0.41 0.00 0.00 173.24 174.77 1rxs s VAL 1114N -0.72 3.53 -1.17 3.43 1.01 0.16 -4.33 120.40 122.31 1rxs s VAL 1114Ca 0.10 0.73 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 1rxs s VAL 1114Cb -0.09 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.88 1rxs s VAL 1114CO 0.01 -0.05 1.59 -0.13 0.00 0.00 0.00 175.10 176.52 1rxs s ARG 1115N 3.62 3.82 -0.46 2.72 0.52 -1.26 -1.43 118.95 126.49 1rxs s ARG 1115Ca 0.72 -1.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1rxs s ARG 1115Cb -0.34 -5.42 0.66 0.00 0.52 0.00 0.00 34.95 30.37 1rxs s ARG 1115CO 0.29 -2.20 1.92 1.28 0.02 0.00 0.00 175.30 176.61 1rxs n LEU 1116N 8.38 6.74 -4.67 2.53 4.77 0.17 -4.96 117.00 129.97 1rxs n LEU 1116Ca 0.41 -3.64 -0.30 0.00 -0.03 0.00 0.00 56.01 52.46 1rxs n LEU 1116Cb 0.48 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1rxs n LEU 1116CO 0.71 1.07 -0.28 1.51 -1.33 0.00 0.00 177.39 179.07 1rxs s ASP 1117N -1.34 3.95 -0.18 -1.43 -4.77 -1.22 -1.77 116.67 109.92 1rxs s ASP 1117Ca 0.57 -1.47 0.13 0.00 -3.30 0.00 0.00 52.55 48.48 1rxs s ASP 1117Cb 0.48 -0.06 -0.20 0.00 -1.09 0.00 0.00 42.92 42.04 1rxs s ASP 1117CO 0.10 -0.60 0.01 0.61 0.70 0.00 0.00 175.17 176.00 1rxs n GLY 1118N -1.07 -0.77 0.29 2.12 0.00 -1.26 -4.60 105.19 99.90 1rxs n GLY 1118Ca -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 0.71 1.00 -0.33 4.61 0.00 -1.98 -2.88 119.26 120.39 1rxs h ALA 1119Ca -0.48 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.17 1rxs h ALA 1119Cb 2.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1rxs h ALA 1119CO 0.01 0.61 0.22 0.66 0.00 0.00 0.00 179.25 180.75 1rxs h SER 1120N 0.80 0.27 0.51 0.00 4.64 -1.85 0.41 113.55 118.32 1rxs h SER 1120Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1rxs h SER 1120Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1rxs h SER 1120CO 0.03 0.18 0.00 -0.07 -0.87 0.00 0.00 176.83 176.10 1rxs h LEU 1121N 0.31 0.00 -0.02 5.97 3.38 -1.63 0.68 115.31 123.99 1rxs h LEU 1121Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rxs h LEU 1121Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rxs h LEU 1121CO -0.03 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 179.90 1rxs n HIS 1122N -2.44 0.00 0.00 1.13 8.25 0.14 -4.06 115.22 118.25 1rxs n HIS 1122Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1rxs n HIS 1122Cb 0.17 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.24 0.00 -3.71 4.41 3.72 0.13 -5.07 117.46 115.70 1rxs n PHE 1123Ca 0.15 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 1rxs n PHE 1123Cb 0.24 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.98 -1.04 1.06 4.37 0.00 -0.62 -5.02 121.76 118.54 1rxs s ALA 1124Ca 0.00 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1rxs s ALA 1124Cb 0.00 -0.27 0.22 0.00 0.00 0.00 0.00 23.12 23.07 1rxs s ALA 1124CO 0.00 -0.25 1.07 -1.25 0.00 0.00 0.00 175.76 175.33 1rxs s PRO 1125N -0.63 -0.08 0.42 0.00 0.04 -1.26 -3.98 135.00 129.51 1rxs s PRO 1125Ca -0.07 0.89 0.09 0.00 0.04 0.00 0.00 61.00 61.95 1rxs s PRO 1125Cb -0.04 -1.65 0.92 0.00 0.04 0.00 0.00 34.50 33.77 1rxs s PRO 1125CO 0.03 -3.18 2.05 1.25 0.04 0.00 0.00 177.00 177.20 1rxs h LEU 1126N -2.23 0.42 -1.59 -3.56 5.85 -1.93 -1.65 115.31 110.62 1rxs h LEU 1126Ca -0.56 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1rxs h LEU 1126Cb 1.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1rxs h LEU 1126CO 0.51 0.30 0.00 1.05 -0.34 0.00 0.00 178.44 179.96 1rxs h GLU 1127N 0.49 0.00 -6.55 1.25 9.09 -2.03 -3.43 114.58 113.41 1rxs h GLU 1127Ca 0.17 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.05 1rxs h GLU 1127Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 1rxs h GLU 1127CO -0.04 0.00 0.45 0.12 0.05 0.00 0.00 179.01 179.59 1rxs s PHE 1128N -3.65 3.61 0.08 2.06 5.36 -0.62 -4.98 117.98 119.85 1rxs s PHE 1128Ca -0.00 1.59 -0.30 0.00 -0.96 0.00 0.00 56.93 57.25 1rxs s PHE 1128Cb 0.09 -3.24 -0.06 0.00 -0.34 0.00 0.00 43.02 39.48 1rxs s PHE 1128CO 0.38 -0.49 1.18 -1.25 -1.46 0.00 0.00 175.22 173.59 1rxs s PRO 1129N 0.29 4.46 -1.29 10.12 0.04 -1.26 -4.91 135.00 142.44 1rxs s PRO 1129Ca 0.52 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1rxs s PRO 1129Cb -0.27 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1rxs s PRO 1129CO 0.31 -0.20 2.16 0.00 0.04 0.00 0.00 177.00 179.31 1rxs n ALA 1130N 3.63 5.02 -2.79 8.56 0.00 -1.26 -4.76 120.51 128.91 1rxs n ALA 1130Ca 0.08 -3.73 -0.36 0.00 0.00 0.00 0.00 53.44 49.43 1rxs n ALA 1130Cb 0.46 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.29 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 3.64 5.42 0.55 0.00 0.11 -1.26 -0.88 120.40 127.98 1rxs s VAL 1131Ca 0.50 0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 59.66 1rxs s VAL 1131Cb 0.14 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1rxs s VAL 1131CO -0.04 0.55 1.05 0.00 -3.33 0.00 0.00 175.10 173.33 1rxs s ALA 1132N -0.53 2.80 0.32 1.54 0.00 0.35 -4.67 121.76 121.58 1rxs s ALA 1132Ca 0.14 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1rxs s ALA 1132Cb -0.12 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1rxs s ALA 1132CO 0.03 -0.60 1.57 0.34 0.00 0.00 0.00 175.76 177.11 1rxs s ASP 1133N -2.44 6.35 0.16 0.00 -1.08 0.10 -4.91 116.67 114.85 1rxs s ASP 1133Ca 0.65 3.00 -0.13 0.00 -0.52 0.00 0.00 52.55 55.55 1rxs s ASP 1133Cb -0.16 -2.65 0.06 0.00 -1.46 0.00 0.00 42.92 38.71 1rxs s ASP 1133CO 0.30 -0.91 1.74 0.15 0.52 0.00 0.00 175.17 176.96 1rxs h PHE 1134N 4.31 0.80 -0.34 -5.34 3.04 -1.95 -0.52 116.94 116.94 1rxs h PHE 1134Ca -0.48 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.38 1rxs h PHE 1134Cb 1.23 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1rxs h PHE 1134CO 0.57 0.64 0.05 0.93 -2.02 0.00 0.00 178.31 178.48 1rxs h GLU 1135N 0.74 0.57 -0.52 1.11 5.08 -1.95 -0.10 114.58 119.51 1rxs h GLU 1135Ca 0.18 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1rxs h GLU 1135Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1rxs h GLU 1135CO -0.02 0.65 0.34 0.00 -1.00 0.00 0.00 179.01 178.98 1rxs h THR 1137N 0.68 1.16 -0.01 0.00 2.02 -0.93 -0.38 112.91 115.46 1rxs h THR 1137Ca 0.20 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1rxs h THR 1137Cb -0.06 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1rxs h THR 1137CO -0.05 0.17 -0.17 0.74 0.37 0.00 0.00 175.52 176.58 1rxs h THR 1138N 0.50 0.59 -0.97 3.16 2.02 -0.69 0.15 112.91 117.67 1rxs h THR 1138Ca 0.14 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.36 1rxs h THR 1138Cb 0.10 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1rxs h THR 1138CO -0.02 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.50 1rxs h ALA 1139N 0.66 1.29 -0.37 6.16 0.00 -0.56 0.61 119.26 127.06 1rxs h ALA 1139Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rxs h ALA 1139Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rxs h ALA 1139CO -0.17 0.50 0.06 -0.07 0.00 0.00 0.00 179.25 179.57 1rxs h LEU 1140N 1.21 0.59 -0.74 0.00 3.38 -0.54 0.73 115.31 119.94 1rxs h LEU 1140Ca 0.39 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1rxs h LEU 1140Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1rxs h LEU 1140CO -0.13 0.70 -0.15 0.58 0.09 0.00 0.00 178.44 179.53 1rxs h VAL 1141N 0.45 1.26 -0.11 1.22 2.07 -0.09 -1.54 116.25 119.52 1rxs h VAL 1141Ca 0.11 -1.24 -0.20 0.00 0.82 0.00 0.00 66.70 66.19 1rxs h VAL 1141Cb 0.36 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1rxs h VAL 1141CO 0.01 0.42 -0.75 -0.33 0.02 0.00 0.00 177.57 176.94 1rxs h GLU 1142N 0.72 0.56 -0.65 1.57 5.08 -0.80 -1.59 114.58 119.47 1rxs h GLU 1142Ca 0.11 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1rxs h GLU 1142Cb 0.65 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1rxs h GLU 1142CO 0.05 1.08 0.34 0.00 -1.00 0.00 0.00 179.01 179.48 1rxs h ALA 1143N 0.79 0.83 -0.48 3.43 0.00 -0.68 -1.67 119.26 121.48 1rxs h ALA 1143Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1rxs h ALA 1143Cb 1.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rxs h ALA 1143CO 0.14 0.36 0.16 0.00 0.00 0.00 0.00 179.25 179.91 1rxs h ALA 1144N 1.16 0.62 -0.90 0.00 0.00 -1.13 -2.43 119.26 116.59 1rxs h ALA 1144Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rxs h ALA 1144Cb 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1rxs h ALA 1144CO -0.03 0.26 0.59 -0.22 0.00 0.00 0.00 179.25 179.85 1rxs h LYS 1145N 0.64 1.13 0.00 0.00 1.63 -1.12 -1.53 116.57 117.31 1rxs h LYS 1145Ca 0.16 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.80 1rxs h LYS 1145Cb 0.25 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1rxs h LYS 1145CO -0.01 0.75 -0.43 0.66 -3.45 0.00 0.00 179.45 176.97 1rxs h SER 1146N 1.16 0.00 -0.03 4.20 4.64 -0.85 -2.74 113.55 119.94 1rxs h SER 1146Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1rxs h SER 1146Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1rxs h SER 1146CO -0.09 0.43 -0.02 2.30 -0.87 0.00 0.00 176.83 178.57 1rxs n ILE 1147N -3.66 0.00 -1.60 0.95 -6.64 -0.98 -5.00 119.36 102.43 1rxs n ILE 1147Ca -0.01 -0.49 -0.04 0.00 -1.77 0.00 0.00 62.75 60.44 1rxs n ILE 1147Cb 0.52 1.42 -0.01 0.00 -1.44 0.00 0.00 39.64 40.12 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 1.17 0.46 3.79 3.28 0.00 -0.60 -5.03 105.19 108.25 1rxs n GLY 1148Ca 0.12 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.19 2.98 -0.12 4.61 0.00 -1.04 -5.00 121.76 121.00 1rxs s ALA 1149Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1rxs s ALA 1149Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1rxs s ALA 1149CO 0.00 -0.31 1.11 0.95 0.00 0.00 0.00 175.76 177.50 1rxs s THR 1150N -1.78 4.53 -0.01 0.00 -4.23 -1.26 -4.74 115.64 108.16 1rxs s THR 1150Ca 0.63 1.83 0.07 0.00 -1.18 0.00 0.00 61.69 63.03 1rxs s THR 1150Cb -0.20 -4.18 -0.02 0.00 1.34 0.00 0.00 72.50 69.44 1rxs s THR 1150CO 0.25 -0.04 -0.21 -0.89 -0.54 0.00 0.00 174.62 173.19 1rxs s THR 1151N 2.44 1.65 -0.04 3.99 2.01 -1.26 -1.54 115.64 122.90 1rxs s THR 1151Ca 0.51 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1rxs s THR 1151Cb -0.20 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1rxs s THR 1151CO 0.17 0.43 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.29 1rxs s HIS 1152N -0.53 2.44 -0.15 4.92 3.76 0.26 -4.95 115.29 121.04 1rxs s HIS 1152Ca 0.08 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1rxs s HIS 1152Cb -0.08 -1.56 0.01 0.00 1.11 0.00 0.00 32.58 32.06 1rxs s HIS 1152CO -0.00 -0.06 -0.22 0.08 -0.85 0.00 0.00 174.74 173.69 1rxs s VAL 1153N -0.46 2.06 -2.58 -0.90 1.01 -1.26 -0.45 120.40 117.82 1rxs s VAL 1153Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1rxs s VAL 1153Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1rxs s VAL 1153CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxs n GLY 1154N 4.19 -0.61 3.84 4.51 0.00 -0.82 -4.96 105.19 111.34 1rxs n GLY 1154Ca -0.20 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.70 5.08 0.00 1.61 1.01 -1.26 -0.45 120.40 122.69 1rxs s VAL 1155Ca 0.00 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.82 1rxs s VAL 1155Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1rxs s VAL 1155CO 0.00 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.63 1rxs s THR 1156N -1.03 2.93 -0.24 3.92 2.01 -0.77 -0.71 115.64 121.75 1rxs s THR 1156Ca 0.23 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 1rxs s THR 1156Cb -0.16 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1rxs s THR 1156CO 0.12 0.45 0.42 0.00 -0.69 0.00 0.00 174.62 174.92 1rxs s ALA 1157N -0.85 3.57 -0.33 7.40 0.00 0.11 0.39 121.76 132.06 1rxs s ALA 1157Ca 0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1rxs s ALA 1157Cb -0.11 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.34 1rxs s ALA 1157CO 0.04 -0.53 0.06 0.45 0.00 0.00 0.00 175.76 175.77 1rxs s SER 1158N 1.37 5.09 -0.01 0.00 0.15 -0.51 -1.40 113.70 118.39 1rxs s SER 1158Ca 0.18 -1.31 0.03 0.00 0.70 0.00 0.00 55.95 55.55 1rxs s SER 1158Cb -0.15 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1rxs s SER 1158CO 0.09 -0.32 -0.06 -0.55 1.20 0.00 0.00 173.24 173.60 1rxs s SER 1159N 1.38 4.69 0.00 5.45 0.15 0.32 -0.65 113.70 125.04 1rxs s SER 1159Ca -0.02 -0.11 0.21 0.00 0.70 0.00 0.00 55.95 56.73 1rxs s SER 1159Cb -0.20 -1.13 1.00 0.00 -1.71 0.00 0.00 66.02 63.99 1rxs s SER 1159CO -0.00 0.30 1.65 0.47 1.20 0.00 0.00 173.24 176.86 1rxs n ASP 1160N 1.67 0.00 -4.20 5.45 10.43 -0.73 -4.35 116.55 124.81 1rxs n ASP 1160Ca -0.16 0.10 -0.15 0.00 2.57 0.00 0.00 54.79 57.15 1rxs n ASP 1160Cb 0.53 -0.33 -0.11 0.00 1.84 0.00 0.00 41.12 43.05 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 -2.66 1.08 -0.02 -3.53 -4.23 -1.26 -5.01 115.64 99.99 1rxs s THR 1161Ca 0.17 -1.69 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1rxs s THR 1161Cb 0.14 -1.45 -0.15 0.00 1.34 0.00 0.00 72.50 72.38 1rxs s THR 1161CO 0.33 -0.53 1.05 0.15 -0.54 0.00 0.00 174.62 175.08 1rxs h PHE 1162N 3.49 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.64 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 0.82 0.00 0.66 -2.23 0.00 0.00 178.31 178.20 1rxs n TYR 1163N -3.15 0.00 -0.13 0.41 4.02 -1.26 -4.34 117.16 112.71 1rxs n TYR 1163Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.81 1rxs n TYR 1163Cb 0.91 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 40.46 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 0.81 0.00 -0.72 0.13 -1.87 0.16 132.00 130.51 1rxs h PRO 1164Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1rxs h PRO 1164Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 1rxs h PRO 1164CO 0.00 0.69 0.00 0.78 -0.23 0.00 0.00 178.00 179.24 1rxs h GLY 1165N 0.94 0.00 -2.61 1.56 0.00 -1.86 0.19 103.07 101.29 1rxs h GLY 1165Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1rxs h GLY 1165CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1rxs n GLN 1166N -2.99 3.94 -3.95 4.80 6.02 -0.80 -4.94 117.38 119.46 1rxs n GLN 1166Ca 0.01 -3.00 -0.26 0.00 -0.01 0.00 0.00 57.00 53.75 1rxs n GLN 1166Cb 0.34 -2.05 -0.01 0.00 1.02 0.00 0.00 30.24 29.53 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 0.13 -3.58 -3.24 -1.09 2.13 0.67 -4.93 120.64 110.73 1rxs n GLU 1167Ca 0.25 0.44 -0.38 0.00 0.66 0.00 0.00 57.16 58.12 1rxs n GLU 1167Cb 1.04 -4.70 -0.06 0.00 0.27 0.00 0.00 31.44 27.99 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 -6.53 4.33 -0.00 5.31 0.52 -0.02 -4.96 118.95 117.60 1rxs s ARG 1168Ca 0.10 0.61 0.19 0.00 -0.52 0.00 0.00 55.73 56.11 1rxs s ARG 1168Cb -0.06 -3.41 -0.22 0.00 0.52 0.00 0.00 34.95 31.79 1rxs s ARG 1168CO 0.88 0.22 0.73 0.66 0.02 0.00 0.00 175.30 177.80 1rxs n TYR 1169N 3.38 0.00 -2.43 -0.53 4.01 -1.26 -4.38 117.16 115.95 1rxs n TYR 1169Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 1rxs n TYR 1169Cb 0.51 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.58 5.06 -3.13 7.72 4.64 -1.26 -4.07 116.55 123.93 1rxs n ASP 1170Ca 0.02 -3.07 -0.18 0.00 -1.38 0.00 0.00 54.79 50.18 1rxs n ASP 1170Cb 0.33 -1.51 -0.06 0.00 -1.04 0.00 0.00 41.12 38.84 1rxs n ASP 1170CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1rxs n THR 1171N 3.70 0.00 -0.13 5.18 -2.24 -1.26 -5.01 114.28 114.51 1rxs n THR 1171Ca 0.40 -1.99 -0.07 0.00 -2.27 0.00 0.00 64.05 60.12 1rxs n THR 1171Cb 0.38 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 1rxs n THR 1171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1rxs h TYR 1172N 1.73 0.43 0.00 4.78 5.03 -1.99 -3.06 116.97 123.91 1rxs h TYR 1172Ca -0.23 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.02 1rxs h TYR 1172Cb 1.00 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 1rxs h TYR 1172CO 0.00 0.24 -1.08 0.66 -1.32 0.00 0.00 178.16 176.66 1rxs h SER 1173N 0.47 0.00 -0.35 -2.11 4.64 -1.97 -3.48 113.55 110.75 1rxs h SER 1173Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 1rxs h SER 1173Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 1rxs h SER 1173CO -0.10 0.27 -0.14 0.61 -0.87 0.00 0.00 176.83 176.60 1rxs n GLY 1174N 1.27 0.90 3.11 -0.77 0.00 -1.16 -4.98 105.19 103.56 1rxs n GLY 1174Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.31 0.67 -0.05 1.61 1.70 -1.26 -4.91 118.95 114.40 1rxs s ARG 1175Ca 0.00 -1.24 0.03 0.00 -0.47 0.00 0.00 55.73 54.05 1rxs s ARG 1175Cb 0.00 0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1rxs s ARG 1175CO 0.00 -0.08 -0.13 0.08 -1.08 0.00 0.00 175.30 174.09 1rxs s VAL 1176N -3.74 1.19 0.38 4.99 1.01 -1.26 -4.92 120.40 118.05 1rxs s VAL 1176Ca 0.08 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1rxs s VAL 1176Cb 0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 36.38 35.27 1rxs s VAL 1176CO -0.08 0.36 1.02 0.55 0.00 0.00 0.00 175.10 176.95 1rxs n VAL 1177N 3.54 2.26 -0.32 2.92 3.14 -1.26 -4.63 118.33 123.98 1rxs n VAL 1177Ca -0.21 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.77 1rxs n VAL 1177Cb 0.52 -1.14 0.21 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.73 0.03 -0.94 1.45 2.43 -1.99 0.12 114.38 117.19 1rxs h ARG 1178Ca -0.43 -0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1rxs h ARG 1178Cb 1.33 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 1rxs h ARG 1178CO 0.58 0.02 0.62 1.25 -1.51 0.00 0.00 179.97 180.92 1rxs h HIS 1179N 0.03 0.63 -0.02 2.20 2.76 -2.03 -2.79 115.15 115.94 1rxs h HIS 1179Ca 0.51 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1rxs h HIS 1179Cb 0.95 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1rxs h HIS 1179CO -0.56 0.15 -0.32 1.19 -1.30 0.00 0.00 177.93 177.09 1rxs n PHE 1180N -4.56 0.00 -2.04 5.26 3.01 0.38 -4.78 117.46 114.73 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 0.71 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.15 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 -2.27 4.23 0.00 -1.08 2.20 -1.05 -1.46 119.74 120.31 1rxs s LYS 1181Ca 0.21 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1rxs s LYS 1181Cb 0.18 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1rxs s LYS 1181CO 0.47 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 1rxs n GLY 1182N 3.86 0.35 0.22 5.54 0.00 -1.26 -4.93 105.19 108.97 1rxs n GLY 1182Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 0.63 -0.75 1.61 4.64 -1.56 -3.09 113.55 115.04 1rxs h SER 1183Ca 0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1rxs h SER 1183Cb 0.34 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1rxs h SER 1183CO 0.00 1.03 0.42 -0.03 -0.87 0.00 0.00 176.83 177.38 1rxs h MET 1184N 0.45 1.03 -0.47 4.77 -1.53 -1.92 -1.66 114.93 115.61 1rxs h MET 1184Ca 0.02 -0.11 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 1rxs h MET 1184Cb 1.05 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.87 1rxs h MET 1184CO 0.10 0.76 0.06 1.49 0.14 0.00 0.00 176.91 179.46 1rxs h GLU 1185N 1.03 0.73 -0.15 0.39 4.81 -1.96 0.19 114.58 119.61 1rxs h GLU 1185Ca 0.26 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1rxs h GLU 1185Cb 0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1rxs h GLU 1185CO -0.04 0.70 0.05 0.93 -0.73 0.00 0.00 179.01 179.92 1rxs h GLU 1186N 0.70 0.23 -0.59 1.92 4.39 -1.35 -1.73 114.58 118.15 1rxs h GLU 1186Ca 0.15 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1rxs h GLU 1186Cb 0.34 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1rxs h GLU 1186CO 0.01 0.34 0.20 -1.49 -1.16 0.00 0.00 179.01 176.91 1rxs h TRP 1187N 0.08 0.89 0.06 4.33 -0.00 -0.91 -1.94 115.95 118.47 1rxs h TRP 1187Ca 0.05 -0.06 0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1rxs h TRP 1187Cb 0.20 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.06 1rxs h TRP 1187CO -0.01 0.71 -0.21 0.37 -0.00 0.00 0.00 178.44 179.30 1rxs h GLN 1188N 0.86 -0.36 0.00 0.49 4.15 -0.86 -1.10 115.11 118.30 1rxs h GLN 1188Ca 0.20 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1rxs h GLN 1188Cb 0.22 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1rxs h GLN 1188CO -0.01 -0.24 -0.10 0.00 -1.93 0.00 0.00 178.83 176.55 1rxs h ALA 1189N 0.46 1.73 -0.13 3.38 0.00 -0.98 -1.59 119.26 122.14 1rxs h ALA 1189Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rxs h ALA 1189Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rxs h ALA 1189CO -0.15 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 1rxs n MET 1190N -4.27 1.54 -0.65 0.00 2.81 -0.76 -4.89 117.12 110.89 1rxs n MET 1190Ca -0.03 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 1rxs n MET 1190Cb 0.18 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.03 0.77 3.75 3.03 0.00 -0.60 -5.01 105.19 108.16 1rxs n GLY 1191Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rxs n GLY 1191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rxs n VAL 1192N -2.23 1.25 0.10 1.61 0.31 -0.46 -4.68 118.33 114.23 1rxs n VAL 1192Ca 0.00 -0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 63.81 1rxs n VAL 1192Cb 0.00 -1.95 -0.15 0.00 -0.91 0.00 0.00 33.84 30.83 1rxs n VAL 1192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1rxs h MET 1193N 4.35 0.38 -2.51 5.55 0.00 -1.24 -3.42 114.93 118.04 1rxs h MET 1193Ca -0.48 -0.65 0.14 0.00 0.00 0.00 0.00 59.70 58.71 1rxs h MET 1193Cb 1.23 0.24 -0.08 0.00 0.00 0.00 0.00 31.60 32.99 1rxs h MET 1193CO 0.76 1.29 0.42 0.54 0.00 0.00 0.00 176.91 179.91 1rxs s ASN 1194N -7.28 -0.23 -0.05 1.22 4.22 -1.26 -0.75 114.94 110.80 1rxs s ASN 1194Ca -0.09 -0.39 0.01 0.00 -2.14 0.00 0.00 52.86 50.25 1rxs s ASN 1194Cb 0.06 0.54 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1rxs s ASN 1194CO 0.89 -0.98 -0.05 -0.31 -2.04 0.00 0.00 177.10 174.62 1rxs s TYR 1195N -3.43 2.98 0.14 1.54 1.51 -1.00 -0.71 117.35 118.38 1rxs s TYR 1195Ca 0.11 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1rxs s TYR 1195Cb -0.02 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1rxs s TYR 1195CO 0.01 0.38 0.21 -0.85 -1.11 0.00 0.00 175.55 174.19 1rxs n GLU 1196N 2.02 0.30 0.00 -0.62 -0.00 -0.49 -3.64 120.64 118.21 1rxs n GLU 1196Ca -0.17 -1.08 0.00 0.00 -0.00 0.00 0.00 57.16 55.91 1rxs n GLU 1196Cb 0.53 1.07 0.00 0.00 -0.00 0.00 0.00 31.44 33.04 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 -0.23 2.16 0.00 3.44 2.81 -1.26 -0.52 117.12 123.53 1rxs n MET 1197Ca -0.00 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 1rxs n MET 1197Cb 0.23 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 -0.38 2.65 0.02 0.03 4.71 -1.26 -3.41 120.64 123.00 1rxs n GLU 1198Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1rxs n GLU 1198Cb 0.26 -0.69 0.38 0.00 -1.01 0.00 0.00 31.44 30.38 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 0.43 -0.60 1.62 4.64 -1.94 -1.26 113.55 116.45 1rxs h SER 1199Ca 0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1rxs h SER 1199Cb 0.19 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1rxs h SER 1199CO 0.00 0.42 0.20 0.00 -0.87 0.00 0.00 176.83 176.58 1rxs h ALA 1200N 1.64 0.78 0.15 5.18 0.00 -1.88 0.39 119.26 125.52 1rxs h ALA 1200Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rxs h ALA 1200Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rxs h ALA 1200CO -0.01 0.43 -0.07 1.15 0.00 0.00 0.00 179.25 180.75 1rxs h THR 1201N 0.84 1.00 -0.04 0.00 2.02 -1.80 -1.96 112.91 112.97 1rxs h THR 1201Ca 0.19 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1rxs h THR 1201Cb 0.27 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1rxs h THR 1201CO -0.01 0.17 -0.06 0.25 0.37 0.00 0.00 175.52 176.24 1rxs h LEU 1202N -0.55 -0.17 -0.51 2.58 5.85 -1.00 -0.94 115.31 120.56 1rxs h LEU 1202Ca -0.02 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1rxs h LEU 1202Cb 0.43 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1rxs h LEU 1202CO 0.03 -0.08 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.60 1rxs h LEU 1203N -0.08 0.85 -0.32 2.25 3.38 -0.28 -1.45 115.31 119.66 1rxs h LEU 1203Ca 0.04 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1rxs h LEU 1203Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1rxs h LEU 1203CO -0.09 1.13 -0.12 0.74 0.09 0.00 0.00 178.44 180.19 1rxs h THR 1204N 0.66 1.29 -0.08 0.22 2.02 -1.24 -0.07 112.91 115.71 1rxs h THR 1204Ca 0.06 -1.20 -0.12 0.00 0.77 0.00 0.00 66.41 65.91 1rxs h THR 1204Cb 0.94 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1rxs h THR 1204CO 0.09 0.39 -0.51 0.00 0.37 0.00 0.00 175.52 175.85 1rxs h MET 1205N 0.41 0.20 0.01 6.66 -0.00 -1.05 -2.24 114.93 118.93 1rxs h MET 1205Ca 0.08 -0.12 -0.06 0.00 -0.00 0.00 0.00 59.70 59.60 1rxs h MET 1205Cb 0.63 0.01 0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1rxs h MET 1205CO 0.04 0.67 -0.23 0.00 -0.00 0.00 0.00 176.91 177.39 1rxs h ALA 1207N 0.19 1.42 -0.32 0.00 0.00 -0.98 -0.91 119.26 118.67 1rxs h ALA 1207Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rxs h ALA 1207Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rxs h ALA 1207CO 0.04 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1rxs n SER 1208N -3.72 3.40 -0.21 0.00 3.41 -0.85 -4.26 113.62 111.39 1rxs n SER 1208Ca -0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 58.87 56.60 1rxs n SER 1208Cb 0.11 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.48 0.68 -1.44 4.33 6.02 -0.76 -5.00 117.38 122.70 1rxs n GLN 1209Ca 0.18 -1.27 -0.06 0.00 -0.01 0.00 0.00 57.00 55.85 1rxs n GLN 1209Cb 0.61 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 31.07 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 -0.37 0.64 3.74 1.08 0.00 -1.02 -5.02 105.19 104.24 1rxs n GLY 1210Ca 0.03 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1rxs n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1211N -1.47 3.75 -0.12 0.99 1.43 -0.42 -5.05 118.68 117.78 1rxs s LEU 1211Ca 0.00 0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 1rxs s LEU 1211Cb 0.00 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1rxs s LEU 1211CO 0.00 0.30 0.50 -0.13 0.23 0.00 0.00 176.35 177.25 1rxs s ARG 1212N -1.50 4.34 0.05 1.70 0.52 -0.69 -3.86 118.95 119.50 1rxs s ARG 1212Ca 0.20 0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1rxs s ARG 1212Cb -0.12 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 1rxs s ARG 1212CO 0.10 0.12 -0.08 0.00 0.02 0.00 0.00 175.30 175.47 1rxs s ALA 1213N 0.74 0.60 0.12 2.13 0.00 -1.26 -0.16 121.76 123.92 1rxs s ALA 1213Ca 0.27 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 1rxs s ALA 1213Cb -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1rxs s ALA 1213CO 0.11 -0.04 0.16 0.20 0.00 0.00 0.00 175.76 176.19 1rxs s GLY 1214N -1.68 0.47 -0.01 0.00 0.00 -0.63 -0.72 107.32 104.74 1rxs s GLY 1214Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1rxs s GLY 1214CO 0.00 -1.01 0.02 1.06 0.00 0.00 0.00 173.10 173.17 1rxs s MET 1215N -3.95 -0.01 -0.07 2.90 -1.94 -1.26 -0.98 119.30 113.99 1rxs s MET 1215Ca 0.13 0.13 -0.06 0.00 -1.71 0.00 0.00 55.69 54.18 1rxs s MET 1215Cb 0.05 -0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.72 1rxs s MET 1215CO -0.04 -0.12 0.18 0.54 -0.01 0.00 0.00 175.02 175.57 1rxs s VAL 1216N 0.76 0.00 0.01 -6.03 0.11 -0.25 -2.40 120.40 112.60 1rxs s VAL 1216Ca -0.06 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1rxs s VAL 1216Cb -0.09 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1rxs s VAL 1216CO -0.02 -0.01 0.18 0.00 -3.33 0.00 0.00 175.10 171.92 1rxs s ALA 1217N 0.06 -0.41 -0.08 1.54 0.00 -0.25 -1.24 121.76 121.38 1rxs s ALA 1217Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1rxs s ALA 1217Cb -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1rxs s ALA 1217CO 0.00 -0.24 0.23 0.20 0.00 0.00 0.00 175.76 175.95 1rxs s GLY 1218N -1.51 2.26 -0.32 0.00 0.00 -0.74 -0.35 107.32 106.67 1rxs s GLY 1218Ca -0.13 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 1rxs s GLY 1218CO 0.01 -0.22 0.95 0.14 0.00 0.00 0.00 173.10 173.99 1rxs s VAL 1219N -1.06 4.62 -0.09 1.40 1.01 -0.90 -1.68 120.40 123.71 1rxs s VAL 1219Ca 0.18 1.47 0.20 0.00 0.00 0.00 0.00 61.98 63.82 1rxs s VAL 1219Cb -0.13 -4.31 -0.30 0.00 0.00 0.00 0.00 36.38 31.64 1rxs s VAL 1219CO 0.07 -0.41 0.32 2.30 0.00 0.00 0.00 175.10 177.39 1rxs n ILE 1220N 5.76 0.48 -3.81 2.22 -5.35 -0.17 -1.64 119.36 116.85 1rxs n ILE 1220Ca 0.08 -0.60 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 1rxs n ILE 1220Cb 0.48 -0.16 -0.08 0.00 -1.74 0.00 0.00 39.64 38.13 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 -3.10 0.09 -0.24 7.28 0.11 -1.24 -4.94 120.40 118.36 1rxs s VAL 1221Ca -0.08 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 1rxs s VAL 1221Cb 0.11 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1rxs s VAL 1221CO 0.85 -0.41 -0.05 0.21 -3.33 0.00 0.00 175.10 172.36 1rxs s ASN 1222N -1.90 4.27 0.62 3.54 3.84 -1.26 -1.44 114.94 122.61 1rxs s ASN 1222Ca -0.07 -0.67 0.41 0.00 0.21 0.00 0.00 52.86 52.74 1rxs s ASN 1222Cb -0.02 -1.69 2.16 0.00 -0.55 0.00 0.00 41.25 41.14 1rxs s ASN 1222CO -0.02 -0.08 2.26 0.03 -2.79 0.00 0.00 177.10 176.49 1rxs h ARG 1223N 8.06 0.00 0.00 0.43 2.47 -1.25 -2.09 114.38 121.99 1rxs h ARG 1223Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1rxs h ARG 1223Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1rxs h ARG 1223CO 0.59 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.37 1rxs n THR 1224N -3.02 0.00 0.00 2.04 -2.24 -1.26 -3.31 114.28 106.48 1rxs n THR 1224Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1rxs n THR 1224Cb 0.11 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.77 2.91 -3.65 -0.78 10.64 -0.81 -5.10 117.38 119.82 1rxs n GLN 1225Ca 0.10 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.11 1rxs n GLN 1225Cb 0.04 -0.68 -0.07 0.00 -0.86 0.00 0.00 30.24 28.67 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 -0.96 0.84 -0.09 2.61 -0.21 -1.07 -5.09 119.66 115.69 1rxs s GLN 1226Ca 0.00 0.03 -0.05 0.00 0.02 0.00 0.00 55.36 55.36 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 -0.10 0.93 -2.12 0.00 0.00 175.29 173.76 1rxs h GLU 1227N 3.52 0.00 -6.07 2.91 5.08 -1.88 -3.31 114.58 114.83 1rxs h GLU 1227Ca -0.28 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 1rxs h GLU 1227Cb 1.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1rxs h GLU 1227CO 0.39 0.00 0.45 0.42 -1.00 0.00 0.00 179.01 179.27 1rxs s ILE 1228N -1.75 4.85 0.10 3.13 -1.09 -1.26 -4.96 121.20 120.22 1rxs s ILE 1228Ca -0.08 1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 60.11 1rxs s ILE 1228Cb 0.01 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1rxs s ILE 1228CO 0.12 0.03 0.05 -2.65 -1.23 0.00 0.00 174.94 171.26 1rxs n PRO 1229N 5.08 -1.42 0.00 2.79 -0.02 -1.26 -5.10 135.00 135.07 1rxs n PRO 1229Ca 0.06 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1rxs n PRO 1229Cb 0.49 -0.13 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 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 -1.81 0.00 0.24 -0.52 0.00 -1.26 -5.08 117.12 108.68 1rxs n MET 1234Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.82 1rxs n MET 1234Cb 0.04 0.00 0.55 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 -2.86 116.57 117.46 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 0.19 -0.09 1.96 -2.27 0.00 0.00 179.45 179.25 1rxs h GLN 1236N 0.00 0.00 -0.11 1.90 4.20 -2.03 -2.98 115.11 116.09 1rxs h GLN 1236Ca -0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1rxs h GLN 1236Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1rxs h GLN 1236CO 0.03 0.00 -0.34 1.15 -0.67 0.00 0.00 178.83 178.99 1rxs h THR 1237N 0.00 1.38 0.00 -0.54 2.02 -1.86 -2.48 112.91 111.44 1rxs h THR 1237Ca 0.00 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 1rxs h THR 1237Cb 0.94 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1rxs h THR 1237CO 0.00 0.49 -0.29 1.05 0.37 0.00 0.00 175.52 177.14 1rxs h GLU 1238N -0.00 0.00 -0.33 6.66 4.11 -1.65 -2.28 114.58 121.09 1rxs h GLU 1238Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1rxs h GLU 1238Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1rxs h GLU 1238CO 0.07 0.29 0.04 0.77 0.07 0.00 0.00 179.01 180.26 1rxs h SER 1239N 0.00 0.46 0.17 3.06 0.02 -1.53 0.53 113.55 116.26 1rxs h SER 1239Ca -0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rxs h SER 1239Cb 1.10 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1rxs h SER 1239CO 0.04 0.50 -0.08 0.45 -1.14 0.00 0.00 176.83 176.60 1rxs h HIS 1240N 0.49 -0.21 -0.81 3.45 3.86 -1.04 -2.08 115.15 118.81 1rxs h HIS 1240Ca 0.11 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1rxs h HIS 1240Cb 0.26 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 1rxs h HIS 1240CO 0.01 0.19 0.50 0.00 0.86 0.00 0.00 177.93 179.48 1rxs h ALA 1241N 0.01 1.03 -0.30 2.45 0.00 -1.36 0.34 119.26 121.43 1rxs h ALA 1241Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1241Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rxs h ALA 1241CO 0.04 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.11 1rxs h VAL 1242N 1.11 1.23 -0.70 0.00 2.07 -0.95 -0.23 116.25 118.77 1rxs h VAL 1242Ca 0.29 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 67.14 1rxs h VAL 1242Cb -0.06 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1rxs h VAL 1242CO -0.06 0.25 0.32 0.50 0.02 0.00 0.00 177.57 178.61 1rxs h LYS 1243N 0.33 0.52 -0.36 1.57 3.64 -0.97 -1.58 116.57 119.72 1rxs h LYS 1243Ca 0.09 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1rxs h LYS 1243Cb 0.32 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1rxs h LYS 1243CO 0.00 0.34 0.01 0.82 -2.27 0.00 0.00 179.45 178.36 1rxs h ILE 1244N 0.53 1.25 -0.64 2.00 2.04 -0.33 -1.83 117.51 120.53 1rxs h ILE 1244Ca 0.36 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1rxs h ILE 1244Cb 0.43 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1rxs h ILE 1244CO -0.30 0.31 0.11 1.62 0.00 0.00 0.00 178.15 179.89 1rxs h VAL 1245N 0.44 1.26 -0.27 1.67 3.04 -0.69 -0.71 116.25 120.98 1rxs h VAL 1245Ca 0.10 -0.99 -0.04 0.00 -1.01 0.00 0.00 66.70 64.76 1rxs h VAL 1245Cb 0.43 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1rxs h VAL 1245CO 0.02 0.37 0.01 0.58 -1.01 0.00 0.00 177.57 177.54 1rxs h VAL 1246N 0.98 1.25 -0.55 1.51 2.07 -1.21 -0.17 116.25 120.13 1rxs h VAL 1246Ca 0.20 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1rxs h VAL 1246Cb 0.41 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1rxs h VAL 1246CO 0.01 0.28 0.30 -0.08 0.02 0.00 0.00 177.57 178.10 1rxs h GLU 1247N 0.27 0.75 -0.24 1.57 4.57 -1.10 -1.52 114.58 118.87 1rxs h GLU 1247Ca 0.08 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1rxs h GLU 1247Cb 0.40 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1rxs h GLU 1247CO 0.01 0.55 -0.13 0.00 -1.18 0.00 0.00 179.01 178.26 1rxs h ALA 1248N 1.57 0.35 -0.63 2.92 0.00 -0.88 -2.84 119.26 119.75 1rxs h ALA 1248Ca 0.20 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1248Cb 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 1rxs h ALA 1248CO -0.03 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.56 1rxs h ALA 1249N 0.72 0.74 -0.74 0.00 0.00 -0.61 -0.58 119.26 118.79 1rxs h ALA 1249Ca 0.05 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1rxs h ALA 1249Cb 0.65 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1rxs h ALA 1249CO 0.04 -0.32 0.17 -0.09 0.00 0.00 0.00 179.25 179.05 1rxs h ARG 1250N 0.25 0.25 0.00 0.00 2.43 -1.07 -0.36 114.38 115.87 1rxs h ARG 1250Ca 0.33 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1rxs h ARG 1250Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1rxs h ARG 1250CO -0.43 0.16 0.00 0.54 -1.51 0.00 0.00 179.97 178.73 1rxs n ARG 1251N -5.17 0.23 -0.17 0.20 1.74 -0.30 -3.19 116.66 110.00 1rxs n ARG 1251Ca 0.14 0.28 0.11 0.00 -0.77 0.00 0.00 57.85 57.61 1rxs n ARG 1251Cb 0.47 -1.81 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.22 3.28 0.00 0.55 4.77 -0.17 -5.06 117.00 118.15 1rxs n LEU 1252Ca 0.04 -1.50 0.14 0.00 -0.03 0.00 0.00 56.01 54.66 1rxs n LEU 1252Cb 0.36 -0.22 0.81 0.00 -2.33 0.00 0.00 43.42 42.04 1rxs n LEU 1252CO 0.27 0.71 0.99 0.18 -1.33 0.00 0.00 177.39 178.20