#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 -4.00 -3.46 3.32 -1.01 -3.47 116.42 107.79 1rxs h ASP 1005Ca 0.00 -0.17 -0.52 0.00 0.02 0.00 0.00 57.03 56.36 1rxs h ASP 1005Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxs h ASP 1005CO 0.00 0.08 -0.80 0.68 -1.72 0.00 0.00 179.24 177.48 1rxs s VAL 1006N -3.23 1.66 0.21 -1.35 -7.23 -1.22 -5.06 120.40 104.17 1rxs s VAL 1006Ca 0.04 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1rxs s VAL 1006Cb 0.12 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1rxs s VAL 1006CO 0.75 -0.18 1.55 0.15 -0.31 0.00 0.00 175.10 177.05 1rxs h PHE 1007N 3.79 0.68 0.00 2.82 3.57 -1.94 -3.35 116.94 122.51 1rxs h PHE 1007Ca -0.44 -0.22 -0.29 0.00 3.53 0.00 0.00 57.97 60.55 1rxs h PHE 1007Cb 1.19 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1rxs h PHE 1007CO 0.64 0.93 -2.10 0.72 -2.23 0.00 0.00 178.31 176.27 1rxs n HIS 1008N -3.99 0.00 0.31 0.41 8.25 -1.26 -4.65 115.22 114.30 1rxs n HIS 1008Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 1rxs n HIS 1008Cb 0.56 -0.74 0.41 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.06 0.00 -1.76 2.41 3.38 -1.93 -3.45 115.31 113.91 1rxs h LEU 1009Ca -0.44 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.16 1rxs h LEU 1009Cb 1.65 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.52 1rxs h LEU 1009CO -0.09 0.00 -0.80 0.61 0.09 0.00 0.00 178.44 178.25 1rxs n GLY 1010N 0.66 -0.36 3.38 0.83 0.00 -1.26 -4.65 105.19 103.79 1rxs n GLY 1010Ca 0.03 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 1011N -6.47 2.50 0.21 0.99 1.43 -1.26 -4.77 118.68 111.31 1rxs s LEU 1011Ca 0.02 -1.11 0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1rxs s LEU 1011Cb -0.00 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1rxs s LEU 1011CO 0.77 -0.27 -0.22 0.42 0.23 0.00 0.00 176.35 177.27 1rxs s THR 1012N -3.02 2.43 0.30 5.49 -4.23 -1.26 -0.27 115.64 115.07 1rxs s THR 1012Ca 0.26 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1rxs s THR 1012Cb 0.02 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 71.96 1rxs s THR 1012CO 0.09 -0.19 1.79 0.50 -0.54 0.00 0.00 174.62 176.28 1rxs h LYS 1013N 2.96 0.80 -0.78 3.99 3.64 -1.96 -0.43 116.57 124.79 1rxs h LYS 1013Ca -0.45 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1rxs h LYS 1013Cb 1.22 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 1rxs h LYS 1013CO 0.51 0.53 0.42 -0.97 -2.27 0.00 0.00 179.45 177.67 1rxs h ASN 1014N 0.82 0.58 -0.38 4.20 -0.73 -1.96 -2.60 115.58 115.50 1rxs h ASN 1014Ca 0.56 0.06 0.11 0.00 1.87 0.00 0.00 56.30 58.89 1rxs h ASN 1014Cb 0.79 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.31 1rxs h ASN 1014CO -0.35 0.32 0.28 0.44 -0.37 0.00 0.00 177.43 177.75 1rxs h ASP 1015N 0.70 0.00 1.92 1.15 3.32 -1.47 -1.66 116.42 120.37 1rxs h ASP 1015Ca 0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1rxs h ASP 1015Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1rxs h ASP 1015CO -0.26 0.00 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.17 1rxs h LEU 1016N 0.00 0.00 -1.19 1.55 4.07 -1.52 -3.48 115.31 114.74 1rxs h LEU 1016Ca 0.18 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.62 1rxs h LEU 1016Cb 0.74 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 42.34 1rxs h LEU 1016CO -0.00 0.02 -0.82 0.00 -1.08 0.00 0.00 178.44 176.55 1rxs n GLN 1017N -3.11 -3.74 -0.66 1.13 6.02 -0.63 -1.53 117.38 114.86 1rxs n GLN 1017Ca 0.04 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1rxs n GLN 1017Cb 0.52 -5.11 0.00 0.00 1.02 0.00 0.00 30.24 26.67 1rxs n GLN 1017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 1018N -1.55 0.75 3.69 1.08 0.00 -1.26 -4.77 105.19 103.14 1rxs n GLY 1018Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.01 1.22 -0.53 4.61 0.00 -0.59 -4.91 120.51 120.30 1rxs n ALA 1019Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1rxs n ALA 1019Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 0.35 0.09 -4.92 0.00 -2.24 -1.26 -4.30 114.28 102.00 1rxs n THR 1020Ca 0.05 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1rxs n THR 1020Cb 0.36 1.39 -0.16 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.09 1.95 -0.04 3.22 0.20 -1.26 0.01 118.68 122.67 1rxs s LEU 1021Ca 0.00 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.47 1rxs s LEU 1021Cb 0.00 -1.05 0.00 0.00 -0.43 0.00 0.00 46.19 44.72 1rxs s LEU 1021CO 0.00 0.17 -0.12 0.00 -0.29 0.00 0.00 176.35 176.11 1rxs s ALA 1022N -0.00 1.17 -0.18 5.97 0.00 -0.09 -1.98 121.76 126.66 1rxs s ALA 1022Ca -0.04 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.28 1rxs s ALA 1022Cb -0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1rxs s ALA 1022CO 0.02 0.17 0.53 0.42 0.00 0.00 0.00 175.76 176.90 1rxs s ILE 1023N 0.30 5.11 -0.51 0.00 1.01 0.17 -1.01 121.20 126.27 1rxs s ILE 1023Ca -0.07 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.61 1rxs s ILE 1023Cb -0.12 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.63 1rxs s ILE 1023CO 0.02 0.20 0.25 0.68 0.00 0.00 0.00 174.94 176.09 1rxs s VAL 1024N 1.46 2.61 0.82 2.92 -7.23 0.92 -1.44 120.40 120.46 1rxs s VAL 1024Ca 0.25 -3.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.05 1rxs s VAL 1024Cb -0.15 -2.82 0.09 0.00 0.56 0.00 0.00 36.38 34.05 1rxs s VAL 1024CO 0.10 -0.79 1.18 -2.16 -0.31 0.00 0.00 175.10 173.12 1rxs s PRO 1025N -0.21 1.89 -0.05 4.82 0.04 -1.23 -3.41 135.00 136.84 1rxs s PRO 1025Ca 0.17 0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.23 1rxs s PRO 1025Cb -0.25 -1.94 -0.29 0.00 0.04 0.00 0.00 34.50 32.05 1rxs s PRO 1025CO -0.01 -1.65 0.64 0.78 0.04 0.00 0.00 177.00 176.80 1rxs h GLY 1026N -1.10 0.39 -6.82 0.56 0.00 -1.85 -1.42 103.07 92.84 1rxs h GLY 1026Ca -0.46 -1.00 -0.62 0.00 0.00 0.00 0.00 47.33 45.24 1rxs h GLY 1026CO 0.65 0.88 0.01 -0.35 0.00 0.00 0.00 176.54 177.73 1rxs s ASP 1027N -7.18 6.43 0.45 0.19 3.68 -1.26 -1.07 116.67 117.91 1rxs s ASP 1027Ca -0.16 0.46 0.23 0.00 2.13 0.00 0.00 52.55 55.20 1rxs s ASP 1027Cb 0.06 -2.29 1.22 0.00 -1.45 0.00 0.00 42.92 40.46 1rxs s ASP 1027CO 0.84 -0.34 1.82 1.55 0.13 0.00 0.00 175.17 179.17 1rxs h PRO 1028N 8.09 0.27 0.00 4.34 0.13 -1.90 -0.63 132.00 142.30 1rxs h PRO 1028Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1rxs h PRO 1028Cb 1.13 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1rxs h PRO 1028CO 0.74 0.18 0.00 -0.44 -0.23 0.00 0.00 178.00 178.25 1rxs h ASP 1029N 0.28 0.00 0.68 1.44 3.32 -1.95 -2.69 116.42 117.50 1rxs h ASP 1029Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1rxs h ASP 1029Cb 1.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1rxs h ASP 1029CO -0.17 0.00 -0.85 -1.14 -1.72 0.00 0.00 179.24 175.36 1rxs n ARG 1030N -2.43 0.32 0.10 3.56 0.63 -0.25 -4.40 116.66 114.19 1rxs n ARG 1030Ca 0.02 0.05 -0.13 0.00 -0.92 0.00 0.00 57.85 56.87 1rxs n ARG 1030Cb 0.29 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.47 1rxs n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 1031N 0.00 0.89 -0.96 5.15 2.07 -1.47 -2.41 116.25 119.51 1rxs h VAL 1031Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1rxs h VAL 1031Cb 0.76 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1rxs h VAL 1031CO 0.00 0.02 0.59 -0.08 0.02 0.00 0.00 177.57 178.12 1rxs h GLU 1032N -0.22 1.30 -0.71 1.57 4.81 -1.77 -1.13 114.58 118.43 1rxs h GLU 1032Ca -0.02 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1rxs h GLU 1032Cb 0.17 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1rxs h GLU 1032CO 0.03 0.90 0.45 0.87 -0.73 0.00 0.00 179.01 180.53 1rxs h LYS 1033N 1.32 0.87 0.11 1.92 1.57 -1.72 -1.15 116.57 119.49 1rxs h LYS 1033Ca 0.35 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1rxs h LYS 1033Cb -0.08 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1rxs h LYS 1033CO -0.07 0.58 -0.05 0.82 -0.57 0.00 0.00 179.45 180.16 1rxs h ILE 1034N 0.90 1.04 -0.88 1.86 2.04 -1.06 -3.14 117.51 118.28 1rxs h ILE 1034Ca 0.28 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.64 1rxs h ILE 1034Cb -0.03 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 1rxs h ILE 1034CO -0.09 0.14 0.57 0.00 0.00 0.00 0.00 178.15 178.77 1rxs h ALA 1035N 0.43 1.67 0.00 1.87 0.00 -1.04 -1.30 119.26 120.89 1rxs h ALA 1035Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1035Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rxs h ALA 1035CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1rxs h ALA 1036N 1.56 1.00 -0.00 0.00 0.00 -1.16 0.07 119.26 120.74 1rxs h ALA 1036Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1rxs h ALA 1036Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rxs h ALA 1036CO -0.17 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.34 1rxs n LEU 1037N -2.61 0.05 0.00 0.00 4.32 -0.49 -4.84 117.00 113.44 1rxs n LEU 1037Ca -0.01 0.20 -0.22 0.00 -0.02 0.00 0.00 56.01 55.96 1rxs n LEU 1037Cb 0.14 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 1rxs n LEU 1037CO 0.18 0.01 -0.09 0.23 -1.22 0.00 0.00 177.39 176.50 1rxs n MET 1038N -1.20 1.01 -3.38 3.23 2.81 0.01 -5.13 117.12 114.47 1rxs n MET 1038Ca 0.16 -2.68 -0.33 0.00 -1.81 0.00 0.00 57.70 53.05 1rxs n MET 1038Cb 0.22 0.56 -0.06 0.00 -0.71 0.00 0.00 33.22 33.24 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 -3.20 6.69 -1.29 7.83 -0.00 -0.33 -4.53 116.67 121.84 1rxs s ASP 1039Ca 0.09 0.98 -0.08 0.00 -0.00 0.00 0.00 52.55 53.54 1rxs s ASP 1039Cb -0.01 -2.25 -0.00 0.00 -0.00 0.00 0.00 42.92 40.66 1rxs s ASP 1039CO 0.06 -0.04 0.60 0.29 -0.00 0.00 0.00 175.17 176.08 1rxs n LYS 1040N 0.09 -2.71 -2.24 8.23 5.02 -1.26 -0.17 118.16 125.13 1rxs n LYS 1040Ca -0.01 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 1rxs n LYS 1040Cb 0.52 -4.43 -0.03 0.00 -0.02 0.00 0.00 35.03 31.07 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 -6.28 4.37 -0.03 1.97 0.04 -1.26 -4.38 135.00 129.44 1rxs s PRO 1041Ca 0.18 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 1rxs s PRO 1041Cb -0.07 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1rxs s PRO 1041CO 0.87 -0.31 0.01 0.08 0.04 0.00 0.00 177.00 177.69 1rxs s VAL 1042N 0.62 0.13 0.14 -0.36 1.01 0.45 -5.00 120.40 117.39 1rxs s VAL 1042Ca 0.60 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 1rxs s VAL 1042Cb -0.35 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 1rxs s VAL 1042CO 0.34 0.15 1.46 -0.75 0.00 0.00 0.00 175.10 176.30 1rxs s LYS 1043N 1.24 4.28 -0.26 2.72 2.20 -1.26 -0.96 119.74 127.69 1rxs s LYS 1043Ca -0.07 2.20 -0.14 0.00 -0.36 0.00 0.00 55.97 57.60 1rxs s LYS 1043Cb -0.13 -3.20 -0.14 0.00 -1.51 0.00 0.00 37.83 32.85 1rxs s LYS 1043CO -0.02 -0.50 -0.24 1.28 -0.36 0.00 0.00 175.35 175.51 1rxs n LEU 1044N 3.87 2.03 -3.74 5.43 4.77 0.74 -4.90 117.00 125.20 1rxs n LEU 1044Ca 0.12 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1rxs n LEU 1044Cb 0.41 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1rxs n LEU 1044CO 0.60 0.56 0.55 0.00 -1.33 0.00 0.00 177.39 177.77 1rxs s ALA 1045N -2.49 -1.44 -0.28 -1.18 0.00 -1.03 -5.01 121.76 110.33 1rxs s ALA 1045Ca -0.37 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1rxs s ALA 1045Cb 0.13 0.76 0.17 0.00 0.00 0.00 0.00 23.12 24.18 1rxs s ALA 1045CO 0.52 -0.98 0.52 0.45 0.00 0.00 0.00 175.76 176.27 1rxs s SER 1046N -2.87 -0.81 -0.04 0.00 0.15 -1.26 -1.25 113.70 107.63 1rxs s SER 1046Ca 0.10 0.57 -0.02 0.00 0.70 0.00 0.00 55.95 57.30 1rxs s SER 1046Cb -0.04 1.78 0.03 0.00 -1.71 0.00 0.00 66.02 66.08 1rxs s SER 1046CO 0.02 -0.28 0.08 -1.00 1.20 0.00 0.00 173.24 173.25 1rxs s HIS 1047N 2.74 -0.06 0.00 3.44 3.76 -0.34 -5.00 115.29 119.84 1rxs s HIS 1047Ca 0.17 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 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 -0.20 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1rxs n ARG 1048N 3.87 0.00 -0.08 1.40 1.74 -1.26 0.03 116.66 122.36 1rxs n ARG 1048Ca -0.23 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.93 1rxs n ARG 1048Cb 0.53 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.30 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 1.58 -3.41 5.56 0.00 -1.26 -4.76 120.64 132.35 1rxs n GLU 1049Ca 0.00 -0.88 -0.44 0.00 0.00 0.00 0.00 57.16 55.84 1rxs n GLU 1049Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 31.44 30.05 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 -1.78 3.34 -0.16 -1.84 0.40 0.10 -4.01 117.98 114.03 1rxs s PHE 1050Ca 0.27 -1.55 -0.04 0.00 -0.60 0.00 0.00 56.93 55.01 1rxs s PHE 1050Cb 0.14 -3.68 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1rxs s PHE 1050CO 0.21 -1.01 -0.02 0.99 0.70 0.00 0.00 175.22 176.09 1rxs s THR 1051N 1.45 4.01 -0.10 0.64 2.01 -1.26 -1.20 115.64 121.20 1rxs s THR 1051Ca 0.05 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1rxs s THR 1051Cb -0.28 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1rxs s THR 1051CO 0.01 0.49 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.37 1rxs s THR 1052N 0.36 1.57 0.15 -0.82 2.01 -0.38 -1.44 115.64 117.09 1rxs s THR 1052Ca -0.03 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 61.37 1rxs s THR 1052Cb -0.14 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1rxs s THR 1052CO 0.03 0.45 -0.22 0.26 -0.69 0.00 0.00 174.62 174.45 1rxs s TRP 1053N 0.81 2.40 0.00 4.92 0.52 0.29 -0.19 118.94 127.70 1rxs s TRP 1053Ca -0.10 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.74 1rxs s TRP 1053Cb -0.16 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.88 1rxs s TRP 1053CO 0.01 0.42 -0.13 0.50 0.02 0.00 0.00 176.95 177.77 1rxs s ARG 1054N -2.34 2.37 0.00 4.98 3.52 -0.14 -0.46 118.95 126.88 1rxs s ARG 1054Ca 0.18 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1rxs s ARG 1054Cb -0.09 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 1rxs s ARG 1054CO 0.09 0.59 0.00 0.00 -0.81 0.00 0.00 175.30 175.17 1rxs n ALA 1055N 1.78 0.00 -2.98 6.12 0.00 -0.29 -0.41 120.51 124.72 1rxs n ALA 1055Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1rxs n ALA 1055Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1rxs n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 1056N -1.18 0.23 -0.09 0.00 2.12 0.76 -0.82 118.70 119.72 1rxs s GLU 1056Ca 0.00 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 1rxs s GLU 1056Cb 0.00 -0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.16 1rxs s GLU 1056CO 0.00 0.02 0.01 -1.17 -0.54 0.00 0.00 175.26 173.58 1rxs s LEU 1057N 0.14 0.62 -1.52 2.70 2.96 0.62 -1.19 118.68 123.01 1rxs s LEU 1057Ca -0.01 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1rxs s LEU 1057Cb -0.03 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.25 1rxs s LEU 1057CO -0.00 -0.22 0.24 0.47 -1.32 0.00 0.00 176.35 175.52 1rxs n ASP 1058N 5.15 0.06 -0.01 3.68 8.00 -1.26 -0.86 116.55 131.32 1rxs n ASP 1058Ca -0.07 -1.16 -0.00 0.00 0.71 0.00 0.00 54.79 54.27 1rxs n ASP 1058Cb 0.50 -2.22 -0.00 0.00 -0.02 0.00 0.00 41.12 39.37 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 -2.20 0.26 3.50 0.44 0.00 -1.26 -5.00 105.19 100.92 1rxs n GLY 1059Ca -0.27 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1rxs n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 1060N -1.01 2.65 0.27 1.61 1.02 -0.04 -5.08 119.74 119.16 1rxs s LYS 1060Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 1rxs s LYS 1060Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1rxs s LYS 1060CO 0.00 0.60 1.22 -1.25 -0.92 0.00 0.00 175.35 175.00 1rxs s PRO 1061N -0.66 4.48 0.01 -1.68 0.04 -1.26 -0.27 135.00 135.66 1rxs s PRO 1061Ca 0.10 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1rxs s PRO 1061Cb -0.11 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1rxs s PRO 1061CO 0.01 -0.04 -0.05 0.08 0.04 0.00 0.00 177.00 177.04 1rxs s VAL 1062N -0.80 0.39 -0.10 -0.36 1.01 -0.00 -4.36 120.40 116.18 1rxs s VAL 1062Ca 0.49 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1rxs s VAL 1062Cb -0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1rxs s VAL 1062CO 0.44 -0.03 0.11 -0.63 0.00 0.00 0.00 175.10 174.99 1rxs s ILE 1063N -0.43 5.20 -0.14 2.22 -1.09 -0.83 -1.14 121.20 124.99 1rxs s ILE 1063Ca -0.01 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1rxs s ILE 1063Cb -0.04 -3.26 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1rxs s ILE 1063CO -0.00 0.60 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.40 1rxs s VAL 1064N -1.01 2.08 -0.08 2.92 1.01 0.39 -0.66 120.40 125.05 1rxs s VAL 1064Ca 0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1rxs s VAL 1064Cb -0.12 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1rxs s VAL 1064CO 0.04 0.55 0.18 0.00 0.00 0.00 0.00 175.10 175.87 1rxs s SER 1066N 1.51 7.08 -0.02 0.00 1.04 -0.52 -3.51 113.70 119.28 1rxs s SER 1066Ca -0.06 1.59 0.21 0.00 0.48 0.00 0.00 55.95 58.17 1rxs s SER 1066Cb -0.11 -2.49 -0.30 0.00 0.10 0.00 0.00 66.02 63.22 1rxs s SER 1066CO -0.07 -0.12 0.62 0.35 0.98 0.00 0.00 173.24 175.00 1rxs n THR 1067N 0.21 0.00 -2.15 2.02 -2.24 -0.53 -4.37 114.28 107.22 1rxs n THR 1067Ca 0.02 -0.33 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1rxs n THR 1067Cb 0.52 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.35 -1.90 3.71 3.38 0.00 -0.24 -3.18 105.19 108.31 1rxs n GLY 1068Ca -0.01 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.93 5.00 0.00 -0.61 1.01 -1.26 -4.72 121.20 119.70 1rxs s ILE 1069Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1rxs s ILE 1069Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1rxs s ILE 1069CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1rxs n GLY 1070N 3.12 2.27 0.14 6.18 0.00 -1.26 -4.60 105.19 111.05 1rxs n GLY 1070Ca 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 0.01 0.29 -0.02 0.00 -1.86 -2.21 103.07 99.28 1rxs h GLY 1071Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1rxs h GLY 1071CO 0.00 -0.11 -0.17 -2.55 0.00 0.00 0.00 176.54 173.71 1rxs h PRO 1072N -0.10 -0.17 -0.02 4.80 0.11 -1.94 0.45 132.00 135.13 1rxs h PRO 1072Ca 0.08 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1rxs h PRO 1072Cb 0.22 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1rxs h PRO 1072CO -0.19 -0.11 -0.72 0.66 -0.21 0.00 0.00 178.00 177.44 1rxs h SER 1073N -0.17 0.14 -0.38 -2.05 4.64 -1.80 -2.60 113.55 111.33 1rxs h SER 1073Ca 0.13 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1rxs h SER 1073Cb 0.37 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1rxs h SER 1073CO -0.33 0.81 0.17 0.74 -0.87 0.00 0.00 176.83 177.35 1rxs h THR 1074N 0.07 0.95 -0.33 2.95 2.02 -0.68 -2.04 112.91 115.84 1rxs h THR 1074Ca -0.02 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1rxs h THR 1074Cb 1.27 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1rxs h THR 1074CO 0.10 0.06 0.21 0.77 0.37 0.00 0.00 175.52 177.04 1rxs h SER 1075N 0.36 0.39 -0.01 4.18 4.64 0.22 -0.43 113.55 122.90 1rxs h SER 1075Ca 0.16 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1rxs h SER 1075Cb 0.09 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rxs h SER 1075CO -0.13 0.29 -0.00 0.40 -0.87 0.00 0.00 176.83 176.51 1rxs h ILE 1076N 0.45 1.36 -0.18 0.95 2.04 -1.11 -1.79 117.51 119.23 1rxs h ILE 1076Ca 0.12 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1rxs h ILE 1076Cb -0.04 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1rxs h ILE 1076CO -0.03 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.37 1rxs h ALA 1077N 0.56 0.14 -0.05 1.87 0.00 -0.97 -1.18 119.26 119.62 1rxs h ALA 1077Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rxs h ALA 1077Cb 0.45 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rxs h ALA 1077CO 0.00 -0.46 0.03 0.28 0.00 0.00 0.00 179.25 179.10 1rxs h VAL 1078N 0.03 1.10 -0.44 0.00 2.07 -1.15 -0.02 116.25 117.84 1rxs h VAL 1078Ca 0.09 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.39 1rxs h VAL 1078Cb 0.12 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1rxs h VAL 1078CO -0.17 0.08 0.11 -0.08 0.02 0.00 0.00 177.57 177.53 1rxs h GLU 1079N -0.03 0.25 -0.07 1.57 4.57 -1.22 0.95 114.58 120.61 1rxs h GLU 1079Ca 0.02 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 1rxs h GLU 1079Cb 0.11 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1rxs h GLU 1079CO -0.00 0.16 -0.80 0.93 -1.18 0.00 0.00 179.01 178.13 1rxs h GLU 1080N 0.26 0.46 -0.85 1.92 5.08 -1.07 -0.94 114.58 119.43 1rxs h GLU 1080Ca 0.21 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1rxs h GLU 1080Cb 0.25 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1rxs h GLU 1080CO -0.26 1.05 0.46 -0.07 -1.00 0.00 0.00 179.01 179.19 1rxs h LEU 1081N 0.30 1.07 -0.68 1.33 3.38 -0.72 -2.42 115.31 117.58 1rxs h LEU 1081Ca -0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1rxs h LEU 1081Cb 1.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1rxs h LEU 1081CO 0.14 0.87 0.22 0.00 0.09 0.00 0.00 178.44 179.76 1rxs h ALA 1082N 1.25 0.89 -0.73 1.53 0.00 -0.45 -0.78 119.26 120.97 1rxs h ALA 1082Ca 0.30 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1rxs h ALA 1082Cb 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1rxs h ALA 1082CO -0.05 0.56 0.48 1.96 0.00 0.00 0.00 179.25 182.21 1rxs h GLN 1083N 0.99 0.55 -0.04 0.00 4.20 -0.87 -1.76 115.11 118.18 1rxs h GLN 1083Ca 0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rxs h GLN 1083Cb 0.29 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1rxs h GLN 1083CO -0.01 0.36 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 1rxs n LEU 1084N -4.49 1.41 0.00 1.46 4.77 -0.37 -4.91 117.00 114.87 1rxs n LEU 1084Ca 0.13 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1rxs n LEU 1084Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1rxs n LEU 1084CO 0.33 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1rxs n GLY 1085N 1.15 0.92 3.74 -0.72 0.00 -0.66 -4.83 105.19 104.79 1rxs n GLY 1085Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1rxs n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 1086N -2.00 3.56 0.00 -0.61 -1.09 -0.79 -4.46 121.20 115.82 1rxs s ILE 1086Ca 0.00 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1rxs s ILE 1086Cb 0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1rxs s ILE 1086CO 0.00 0.24 0.04 0.54 -1.23 0.00 0.00 174.94 174.53 1rxs n ARG 1087N 2.20 4.51 -4.34 2.79 5.12 0.10 -4.25 116.66 122.80 1rxs n ARG 1087Ca 0.03 -0.04 -0.23 0.00 -1.93 0.00 0.00 57.85 55.68 1rxs n ARG 1087Cb 0.45 -0.42 -0.17 0.00 -1.16 0.00 0.00 32.46 31.16 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 -0.66 0.88 -0.13 0.55 2.01 -0.79 -1.67 115.64 115.84 1rxs s THR 1088Ca 0.00 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1rxs s THR 1088Cb 0.00 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.68 1rxs s THR 1088CO 0.00 0.31 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.71 1rxs s PHE 1089N 0.90 2.21 -0.26 4.92 0.08 0.13 -0.91 117.98 125.05 1rxs s PHE 1089Ca -0.11 -1.15 -0.01 0.00 0.12 0.00 0.00 56.93 55.78 1rxs s PHE 1089Cb -0.15 -1.58 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1rxs s PHE 1089CO 0.01 -0.59 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.96 1rxs s LEU 1090N 1.18 3.35 -0.07 -0.37 1.43 -0.18 -1.30 118.68 122.73 1rxs s LEU 1090Ca -0.01 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 1rxs s LEU 1090Cb -0.14 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1rxs s LEU 1090CO -0.06 -0.16 0.53 -0.60 0.23 0.00 0.00 176.35 176.28 1rxs s ARG 1091N 1.27 4.30 -0.14 1.70 3.52 -0.31 -0.06 118.95 129.24 1rxs s ARG 1091Ca -0.02 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1rxs s ARG 1091Cb -0.18 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1rxs s ARG 1091CO -0.04 0.27 -0.19 -1.50 -0.81 0.00 0.00 175.30 173.02 1rxs s ILE 1092N 0.22 1.89 0.33 4.11 1.10 -1.22 -0.65 121.20 126.98 1rxs s ILE 1092Ca 0.28 -0.86 0.07 0.00 -0.51 0.00 0.00 60.65 59.63 1rxs s ILE 1092Cb -0.16 -1.70 -0.03 0.00 0.15 0.00 0.00 42.46 40.72 1rxs s ILE 1092CO 0.13 0.52 0.30 0.61 -2.11 0.00 0.00 174.94 174.39 1rxs n GLY 1093N 4.28 2.85 3.59 1.50 0.00 -0.17 -4.09 105.19 113.15 1rxs n GLY 1093Ca -0.20 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 1rxs n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 1094N -3.29 3.36 0.15 2.61 -4.23 -1.26 -1.59 115.64 111.40 1rxs s THR 1094Ca 0.39 -1.43 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1rxs s THR 1094Cb 0.02 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1rxs s THR 1094CO 0.27 0.00 0.44 0.28 -0.54 0.00 0.00 174.62 175.07 1rxs s THR 1095N -1.46 0.05 -0.20 3.99 -1.32 -0.54 -4.88 115.64 111.28 1rxs s THR 1095Ca 0.23 -0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 59.96 1rxs s THR 1095Cb -0.10 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1rxs s THR 1095CO 0.15 -0.24 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.42 1rxs s GLY 1096N -2.84 1.58 0.47 6.08 0.00 -1.22 -1.19 107.32 110.19 1rxs s GLY 1096Ca 0.07 -1.12 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 1rxs s GLY 1096CO -0.08 0.32 1.01 0.00 0.00 0.00 0.00 173.10 174.36 1rxs s ALA 1097N 1.28 2.93 -0.01 3.20 0.00 -0.59 -2.09 121.76 126.48 1rxs s ALA 1097Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1rxs s ALA 1097Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1rxs s ALA 1097CO -0.03 -0.18 0.83 0.44 0.00 0.00 0.00 175.76 176.82 1rxs n ILE 1098N -0.82 0.65 -4.19 0.00 -5.35 0.64 -0.85 119.36 109.43 1rxs n ILE 1098Ca 0.08 -0.82 -0.35 0.00 -0.27 0.00 0.00 62.75 61.39 1rxs n ILE 1098Cb 0.53 0.68 -0.09 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 -0.65 3.34 0.50 6.28 -1.52 -1.23 -4.81 119.66 121.57 1rxs s GLN 1099Ca 0.00 -0.34 0.33 0.00 -1.95 0.00 0.00 55.36 53.40 1rxs s GLN 1099Cb 0.00 -2.98 1.38 0.00 -0.22 0.00 0.00 33.01 31.19 1rxs s GLN 1099CO 0.00 0.60 1.96 -1.00 -0.25 0.00 0.00 175.29 176.60 1rxs h PRO 1100N 5.54 0.00 0.00 2.91 0.13 -1.96 -2.73 132.00 135.90 1rxs h PRO 1100Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rxs h PRO 1100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rxs h PRO 1100CO 0.59 0.00 -0.28 -2.39 -0.23 0.00 0.00 178.00 175.69 1rxs n HIS 1101N -2.92 0.03 -3.30 1.56 1.44 -1.26 -4.80 115.22 105.98 1rxs n HIS 1101Ca 0.01 0.01 -0.39 0.00 -2.01 0.00 0.00 57.72 55.33 1rxs n HIS 1101Cb 0.27 -0.38 -0.08 0.00 0.12 0.00 0.00 29.99 29.92 1rxs n HIS 1101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 1102N -3.01 5.12 0.19 0.61 1.01 -1.03 -5.07 121.20 119.03 1rxs s ILE 1102Ca 0.12 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.62 1rxs s ILE 1102Cb 0.18 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1rxs s ILE 1102CO 0.63 0.16 0.31 0.20 0.00 0.00 0.00 174.94 176.23 1rxs s ASN 1103N 1.34 6.29 0.08 3.58 0.02 -1.26 -4.89 114.94 120.10 1rxs s ASN 1103Ca 0.20 0.11 -0.33 0.00 -1.02 0.00 0.00 52.86 51.83 1rxs s ASN 1103Cb -0.15 -1.87 -0.12 0.00 0.02 0.00 0.00 41.25 39.13 1rxs s ASN 1103CO 0.09 0.00 1.76 0.52 0.02 0.00 0.00 177.10 179.50 1rxs n VAL 1104N -0.89 0.30 0.00 1.60 0.31 -1.26 -1.37 118.33 117.02 1rxs n VAL 1104Ca -0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1rxs n VAL 1104Cb 0.55 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1rxs n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 1105N 4.00 1.84 3.78 2.92 0.00 -0.80 -5.02 105.19 111.92 1rxs n GLY 1105Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.63 4.77 -0.09 1.61 -0.00 -0.47 -4.78 116.67 117.08 1rxs s ASP 1106Ca 0.00 1.78 0.02 0.00 -0.00 0.00 0.00 52.55 54.36 1rxs s ASP 1106Cb 0.00 -2.52 -0.02 0.00 -0.00 0.00 0.00 42.92 40.38 1rxs s ASP 1106CO 0.00 -1.86 -0.15 -0.69 -0.00 0.00 0.00 175.17 172.47 1rxs s VAL 1107N -2.90 2.94 -0.17 -1.27 1.01 -0.42 -1.81 120.40 117.77 1rxs s VAL 1107Ca 0.61 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1rxs s VAL 1107Cb -0.17 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1rxs s VAL 1107CO 0.55 0.56 -0.14 -0.76 0.00 0.00 0.00 175.10 175.31 1rxs s LEU 1108N -0.16 2.53 -0.22 3.92 1.43 0.43 -0.47 118.68 126.15 1rxs s LEU 1108Ca -0.01 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1rxs s LEU 1108Cb -0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1rxs s LEU 1108CO 0.03 0.06 0.07 -0.69 0.23 0.00 0.00 176.35 176.06 1rxs s VAL 1109N 0.96 4.62 -0.24 -1.59 1.01 -0.26 -1.16 120.40 123.74 1rxs s VAL 1109Ca -0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1rxs s VAL 1109Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1rxs s VAL 1109CO -0.02 0.39 0.48 -0.89 0.00 0.00 0.00 175.10 175.07 1rxs s THR 1110N 0.99 5.11 0.06 3.92 2.01 -0.89 -1.65 115.64 125.18 1rxs s THR 1110Ca 0.04 0.83 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 1rxs s THR 1110Cb -0.14 -3.80 -0.27 0.00 0.01 0.00 0.00 72.50 68.30 1rxs s THR 1110CO 0.03 0.13 1.06 0.71 -0.69 0.00 0.00 174.62 175.86 1rxs h THR 1111N 5.30 1.41 -2.46 -0.82 1.35 -1.18 -3.41 112.91 113.10 1rxs h THR 1111Ca -0.31 -3.03 0.07 0.00 -0.55 0.00 0.00 66.41 62.59 1rxs h THR 1111Cb 1.15 2.86 -0.14 0.00 -1.73 0.00 0.00 68.15 70.28 1rxs h THR 1111CO 0.71 0.87 0.42 0.00 -0.25 0.00 0.00 175.52 177.27 1rxs s ALA 1112N -2.65 -1.77 0.03 6.62 0.00 -1.26 -0.85 121.76 121.88 1rxs s ALA 1112Ca -0.05 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.87 1rxs s ALA 1112Cb 0.07 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1rxs s ALA 1112CO 0.86 -0.70 -0.18 -1.12 0.00 0.00 0.00 175.76 174.62 1rxs s SER 1113N -2.53 3.80 0.03 0.00 0.01 -0.03 -2.25 113.70 112.72 1rxs s SER 1113Ca 0.04 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1rxs s SER 1113Cb -0.01 -0.63 -0.07 0.00 0.21 0.00 0.00 66.02 65.52 1rxs s SER 1113CO -0.10 0.27 1.53 -0.69 0.41 0.00 0.00 173.24 174.66 1rxs s VAL 1114N -0.89 3.40 -1.13 3.43 1.01 0.13 -4.36 120.40 121.99 1rxs s VAL 1114Ca 0.14 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 1rxs s VAL 1114Cb -0.10 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1rxs s VAL 1114CO 0.04 -0.01 1.41 -0.13 0.00 0.00 0.00 175.10 176.41 1rxs s ARG 1115N 2.65 3.89 -0.43 2.72 0.52 -1.26 -1.58 118.95 125.45 1rxs s ARG 1115Ca 0.69 -2.10 0.03 0.00 -0.52 0.00 0.00 55.73 53.82 1rxs s ARG 1115Cb -0.35 -5.14 0.55 0.00 0.52 0.00 0.00 34.95 30.52 1rxs s ARG 1115CO 0.29 -1.90 1.84 1.28 0.02 0.00 0.00 175.30 176.83 1rxs n LEU 1116N 6.72 6.46 -4.81 2.53 4.77 -0.24 -4.95 117.00 127.47 1rxs n LEU 1116Ca 0.35 -3.46 -0.31 0.00 -0.03 0.00 0.00 56.01 52.56 1rxs n LEU 1116Cb 0.46 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1rxs n LEU 1116CO 0.62 1.06 -0.16 1.51 -1.33 0.00 0.00 177.39 179.08 1rxs s ASP 1117N -1.05 4.29 -0.15 -1.43 -4.77 -1.21 -1.73 116.67 110.62 1rxs s ASP 1117Ca 0.51 -1.56 0.08 0.00 -3.30 0.00 0.00 52.55 48.28 1rxs s ASP 1117Cb 0.42 0.56 -0.15 0.00 -1.09 0.00 0.00 42.92 42.66 1rxs s ASP 1117CO 0.08 -0.96 -0.03 0.61 0.70 0.00 0.00 175.17 175.56 1rxs n GLY 1118N -1.43 -0.51 0.25 2.12 0.00 -1.26 -4.69 105.19 99.67 1rxs n GLY 1118Ca -0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 1rxs n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 1119N 0.41 0.93 -0.67 4.61 0.00 -1.97 -2.67 119.26 119.91 1rxs h ALA 1119Ca -0.38 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.24 1rxs h ALA 1119Cb 1.76 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1rxs h ALA 1119CO -0.01 0.61 0.44 0.66 0.00 0.00 0.00 179.25 180.95 1rxs h SER 1120N 0.59 0.52 0.22 0.00 4.64 -1.85 0.15 113.55 117.84 1rxs h SER 1120Ca 0.08 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1rxs h SER 1120Cb 0.73 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1rxs h SER 1120CO 0.06 0.33 0.00 -0.07 -0.87 0.00 0.00 176.83 176.27 1rxs h LEU 1121N 0.59 0.00 -0.12 5.97 3.38 -1.60 0.14 115.31 123.68 1rxs h LEU 1121Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1rxs h LEU 1121Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1rxs h LEU 1121CO -0.10 0.00 -0.14 1.41 0.09 0.00 0.00 178.44 179.70 1rxs n HIS 1122N -2.92 0.00 -0.04 1.13 8.25 0.53 -4.02 115.22 118.15 1rxs n HIS 1122Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 1rxs n HIS 1122Cb 0.12 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.21 0.00 -3.72 4.41 3.72 0.39 -5.08 117.46 115.98 1rxs n PHE 1123Ca 0.11 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 1rxs n PHE 1123Cb 0.30 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.18 -0.93 1.08 4.37 0.00 -0.57 -5.01 121.76 118.51 1rxs s ALA 1124Ca -0.09 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1rxs s ALA 1124Cb 0.03 0.03 0.23 0.00 0.00 0.00 0.00 23.12 23.41 1rxs s ALA 1124CO 0.24 -0.27 1.06 -1.25 0.00 0.00 0.00 175.76 175.53 1rxs s PRO 1125N -1.23 -0.22 0.51 0.00 0.04 -1.26 -3.97 135.00 128.88 1rxs s PRO 1125Ca -0.13 0.84 0.19 0.00 0.04 0.00 0.00 61.00 61.95 1rxs s PRO 1125Cb -0.04 -1.64 1.32 0.00 0.04 0.00 0.00 34.50 34.18 1rxs s PRO 1125CO 0.05 -3.25 2.12 1.25 0.04 0.00 0.00 177.00 177.20 1rxs h LEU 1126N -2.28 0.00 -1.66 -3.56 5.85 -1.94 -2.31 115.31 109.42 1rxs h LEU 1126Ca -0.57 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1rxs h LEU 1126Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1rxs h LEU 1126CO 0.51 0.06 0.00 1.05 -0.34 0.00 0.00 178.44 179.73 1rxs h GLU 1127N 0.00 0.00 -6.52 1.25 9.09 -2.03 -3.43 114.58 112.94 1rxs h GLU 1127Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1rxs h GLU 1127Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1rxs h GLU 1127CO 0.01 0.00 0.54 0.12 0.05 0.00 0.00 179.01 179.73 1rxs s PHE 1128N -3.72 3.46 0.07 2.06 5.36 -0.87 -4.98 117.98 119.36 1rxs s PHE 1128Ca 0.00 1.36 -0.31 0.00 -0.96 0.00 0.00 56.93 57.03 1rxs s PHE 1128Cb 0.10 -3.39 -0.06 0.00 -0.34 0.00 0.00 43.02 39.32 1rxs s PHE 1128CO 0.51 -1.15 1.19 -1.25 -1.46 0.00 0.00 175.22 173.06 1rxs s PRO 1129N 0.77 4.44 -1.07 10.12 0.04 -1.26 -4.91 135.00 143.12 1rxs s PRO 1129Ca 0.57 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1rxs s PRO 1129Cb -0.29 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 1rxs s PRO 1129CO 0.31 -0.24 2.03 0.00 0.04 0.00 0.00 177.00 179.14 1rxs n ALA 1130N 3.81 4.08 -2.86 8.56 0.00 -1.26 -4.74 120.51 128.10 1rxs n ALA 1130Ca 0.08 -3.54 -0.37 0.00 0.00 0.00 0.00 53.44 49.62 1rxs n ALA 1130Cb 0.46 -3.59 -0.06 0.00 0.00 0.00 0.00 19.45 16.26 1rxs n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 1131N 4.62 5.41 0.60 0.00 0.11 -1.26 -0.86 120.40 129.02 1rxs s VAL 1131Ca 0.54 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.62 1rxs s VAL 1131Cb 0.13 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1rxs s VAL 1131CO 0.04 0.61 1.04 0.00 -3.33 0.00 0.00 175.10 173.46 1rxs s ALA 1132N -0.98 2.83 0.22 1.54 0.00 -0.03 -4.69 121.76 120.66 1rxs s ALA 1132Ca 0.15 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1rxs s ALA 1132Cb -0.12 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1rxs s ALA 1132CO 0.04 -0.77 1.33 0.34 0.00 0.00 0.00 175.76 176.70 1rxs s ASP 1133N -3.23 6.84 0.25 0.00 -1.08 0.52 -4.93 116.67 115.05 1rxs s ASP 1133Ca 0.60 2.48 -0.05 0.00 -0.52 0.00 0.00 52.55 55.06 1rxs s ASP 1133Cb -0.14 -2.62 0.29 0.00 -1.46 0.00 0.00 42.92 38.99 1rxs s ASP 1133CO 0.42 -0.56 1.90 0.15 0.52 0.00 0.00 175.17 177.60 1rxs h PHE 1134N 5.13 1.19 -0.26 -5.34 3.04 -1.95 -0.76 116.94 117.99 1rxs h PHE 1134Ca -0.45 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.45 1rxs h PHE 1134Cb 1.22 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1rxs h PHE 1134CO 0.61 0.79 -0.02 0.93 -2.02 0.00 0.00 178.31 178.60 1rxs h GLU 1135N 1.24 0.48 -0.11 1.11 5.08 -1.95 -1.23 114.58 119.20 1rxs h GLU 1135Ca 0.32 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1rxs h GLU 1135Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1rxs h GLU 1135CO -0.06 0.66 0.07 0.00 -1.00 0.00 0.00 179.01 178.68 1rxs h THR 1137N 0.14 1.06 -0.44 0.00 2.02 -1.13 0.25 112.91 114.82 1rxs h THR 1137Ca 0.04 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1rxs h THR 1137Cb -0.01 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1rxs h THR 1137CO -0.01 0.17 0.25 0.74 0.37 0.00 0.00 175.52 177.04 1rxs h THR 1138N 0.94 1.16 -0.65 3.16 2.02 -0.80 0.11 112.91 118.84 1rxs h THR 1138Ca 0.34 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1rxs h THR 1138Cb 0.11 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1rxs h THR 1138CO -0.15 0.16 0.11 0.00 0.37 0.00 0.00 175.52 176.01 1rxs h ALA 1139N 1.10 0.96 -0.43 6.16 0.00 0.11 0.12 119.26 127.28 1rxs h ALA 1139Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1rxs h ALA 1139Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rxs h ALA 1139CO -0.03 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.83 1rxs h LEU 1140N 1.00 0.71 -0.38 0.00 3.38 -0.19 0.04 115.31 119.87 1rxs h LEU 1140Ca 0.20 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1rxs h LEU 1140Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1rxs h LEU 1140CO 0.01 0.83 -0.15 0.58 0.09 0.00 0.00 178.44 179.79 1rxs h VAL 1141N 0.58 1.28 -0.52 1.22 2.07 -0.27 -1.63 116.25 118.98 1rxs h VAL 1141Ca 0.12 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1rxs h VAL 1141Cb 0.44 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1rxs h VAL 1141CO 0.02 0.42 -0.03 -0.33 0.02 0.00 0.00 177.57 177.67 1rxs h GLU 1142N 0.58 0.91 -0.45 1.57 5.08 -0.72 -1.73 114.58 119.82 1rxs h GLU 1142Ca 0.09 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1rxs h GLU 1142Cb 0.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1rxs h GLU 1142CO 0.05 0.92 0.06 0.00 -1.00 0.00 0.00 179.01 179.04 1rxs h ALA 1143N 1.13 0.59 -0.62 3.43 0.00 -0.79 -1.25 119.26 121.76 1rxs h ALA 1143Ca 0.15 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 1143Cb 0.53 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1rxs h ALA 1143CO 0.03 0.33 0.36 0.00 0.00 0.00 0.00 179.25 179.97 1rxs h ALA 1144N 0.94 0.80 -0.84 0.00 0.00 -1.11 -2.23 119.26 116.82 1rxs h ALA 1144Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rxs h ALA 1144Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1rxs h ALA 1144CO 0.01 0.08 0.49 -0.22 0.00 0.00 0.00 179.25 179.61 1rxs h LYS 1145N 0.70 1.15 0.00 0.00 1.63 -0.98 -1.52 116.57 117.56 1rxs h LYS 1145Ca 0.26 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 1rxs h LYS 1145Cb 0.08 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 1rxs h LYS 1145CO -0.13 0.82 -0.33 0.66 -3.45 0.00 0.00 179.45 177.01 1rxs h SER 1146N 1.17 0.00 -0.03 4.20 4.64 -0.64 -2.22 113.55 120.67 1rxs h SER 1146Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1rxs h SER 1146Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1rxs h SER 1146CO -0.05 0.33 0.00 2.30 -0.87 0.00 0.00 176.83 178.54 1rxs n ILE 1147N -3.46 0.00 -1.29 0.95 -6.64 -1.00 -5.01 119.36 102.91 1rxs n ILE 1147Ca 0.00 -0.50 -0.03 0.00 -1.77 0.00 0.00 62.75 60.45 1rxs n ILE 1147Cb 0.50 1.40 -0.01 0.00 -1.44 0.00 0.00 39.64 40.09 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 1.10 0.52 3.79 3.28 0.00 -0.60 -5.03 105.19 108.25 1rxs n GLY 1148Ca 0.11 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.11 2.82 -0.13 4.61 0.00 -1.02 -5.00 121.76 120.93 1rxs s ALA 1149Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1rxs s ALA 1149Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1rxs s ALA 1149CO 0.00 -0.49 1.01 0.95 0.00 0.00 0.00 175.76 177.23 1rxs s THR 1150N -1.87 4.76 0.00 0.00 -4.23 -1.26 -4.73 115.64 108.31 1rxs s THR 1150Ca 0.69 2.04 0.07 0.00 -1.18 0.00 0.00 61.69 63.30 1rxs s THR 1150Cb -0.20 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.31 1rxs s THR 1150CO 0.23 -0.03 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.17 1rxs s THR 1151N 2.25 1.78 -0.04 3.99 2.01 -1.26 -1.31 115.64 123.07 1rxs s THR 1151Ca 0.47 -1.06 0.07 0.00 0.31 0.00 0.00 61.69 61.48 1rxs s THR 1151Cb -0.18 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1rxs s THR 1151CO 0.15 0.42 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.25 1rxs s HIS 1152N -0.62 2.34 -0.15 4.92 3.76 0.38 -4.95 115.29 120.97 1rxs s HIS 1152Ca 0.09 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1rxs s HIS 1152Cb -0.09 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.09 1rxs s HIS 1152CO 0.00 -0.14 -0.20 0.08 -0.85 0.00 0.00 174.74 173.63 1rxs s VAL 1153N -0.34 2.24 -2.71 -0.90 1.01 -1.26 -1.10 120.40 117.35 1rxs s VAL 1153Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1rxs s VAL 1153Cb -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1rxs s VAL 1153CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxs n GLY 1154N 4.08 -0.58 3.85 4.51 0.00 -0.66 -4.95 105.19 111.43 1rxs n GLY 1154Ca -0.20 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.52 5.09 0.02 1.61 1.01 -1.26 -0.56 120.40 122.78 1rxs s VAL 1155Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1rxs s VAL 1155Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rxs s VAL 1155CO 0.00 0.55 -0.25 -0.89 0.00 0.00 0.00 175.10 174.51 1rxs s THR 1156N -1.11 2.00 -0.26 3.92 2.01 -0.95 -0.25 115.64 121.00 1rxs s THR 1156Ca 0.24 -1.22 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 1rxs s THR 1156Cb -0.16 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1rxs s THR 1156CO 0.13 0.43 0.37 0.00 -0.69 0.00 0.00 174.62 174.87 1rxs s ALA 1157N -0.70 3.57 -0.32 7.40 0.00 -0.10 0.22 121.76 131.82 1rxs s ALA 1157Ca 0.10 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1rxs s ALA 1157Cb -0.10 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.36 1rxs s ALA 1157CO 0.01 -0.62 0.07 0.45 0.00 0.00 0.00 175.76 175.67 1rxs s SER 1158N 1.57 5.15 -0.04 0.00 0.15 -0.62 -1.83 113.70 118.09 1rxs s SER 1158Ca 0.15 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.70 1rxs s SER 1158Cb -0.16 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1rxs s SER 1158CO 0.10 -0.29 -0.10 -0.55 1.20 0.00 0.00 173.24 173.59 1rxs s SER 1159N 1.37 4.37 0.09 5.45 0.15 0.27 -1.07 113.70 124.33 1rxs s SER 1159Ca -0.02 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.65 1rxs s SER 1159Cb -0.19 -1.00 0.70 0.00 -1.71 0.00 0.00 66.02 63.81 1rxs s SER 1159CO 0.01 0.33 1.50 0.47 1.20 0.00 0.00 173.24 176.76 1rxs n ASP 1160N 2.04 0.22 -4.32 5.45 10.43 -0.70 -4.31 116.55 125.36 1rxs n ASP 1160Ca -0.17 0.56 -0.19 0.00 2.57 0.00 0.00 54.79 57.56 1rxs n ASP 1160Cb 0.53 -0.61 -0.10 0.00 1.84 0.00 0.00 41.12 42.77 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 1.65 -0.04 -3.53 -4.23 -1.26 -5.00 115.64 100.11 1rxs s THR 1161Ca 0.05 -2.05 0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1rxs s THR 1161Cb 0.08 -1.90 -0.21 0.00 1.34 0.00 0.00 72.50 71.82 1rxs s THR 1161CO 0.28 -0.51 0.77 0.15 -0.54 0.00 0.00 174.62 174.77 1rxs h PHE 1162N 2.89 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.04 1rxs h PHE 1162Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1rxs h PHE 1162Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1rxs h PHE 1162CO 0.69 0.93 0.00 0.66 -2.23 0.00 0.00 178.31 178.36 1rxs n TYR 1163N -3.06 0.00 -0.23 0.41 4.02 -1.26 -4.31 117.16 112.72 1rxs n TYR 1163Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.68 1rxs n TYR 1163Cb 1.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.36 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 1.05 0.00 -0.72 0.13 -1.87 0.00 132.00 130.59 1rxs h PRO 1164Ca 0.00 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1rxs h PRO 1164Cb 0.00 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 30.99 1rxs h PRO 1164CO 0.00 0.95 -0.05 0.78 -0.23 0.00 0.00 178.00 179.45 1rxs h GLY 1165N 0.97 0.00 -3.17 1.56 0.00 -1.87 0.29 103.07 100.85 1rxs h GLY 1165Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1rxs h GLY 1165CO 0.00 0.00 0.13 -1.06 0.00 0.00 0.00 176.54 175.62 1rxs n GLN 1166N -3.48 3.76 -4.00 4.80 6.02 -1.00 -4.94 117.38 118.53 1rxs n GLN 1166Ca -0.02 -3.08 -0.27 0.00 -0.01 0.00 0.00 57.00 53.62 1rxs n GLN 1166Cb 0.18 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 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 -0.10 -3.31 -3.27 -1.09 2.13 0.10 -4.95 120.64 110.15 1rxs n GLU 1167Ca 0.34 0.40 -0.38 0.00 0.66 0.00 0.00 57.16 58.17 1rxs n GLU 1167Cb 1.24 -4.63 -0.06 0.00 0.27 0.00 0.00 31.44 28.25 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 -6.63 4.30 -0.00 5.31 0.52 -0.05 -4.96 118.95 117.43 1rxs s ARG 1168Ca 0.14 0.47 0.22 0.00 -0.52 0.00 0.00 55.73 56.04 1rxs s ARG 1168Cb -0.08 -3.48 -0.20 0.00 0.52 0.00 0.00 34.95 31.71 1rxs s ARG 1168CO 0.89 0.04 0.83 0.66 0.02 0.00 0.00 175.30 177.75 1rxs n TYR 1169N 4.07 0.03 -2.66 -0.53 4.01 -1.26 -4.42 117.16 116.40 1rxs n TYR 1169Ca -0.06 0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1rxs n TYR 1169Cb 0.51 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.72 5.12 -3.28 7.72 4.64 -1.26 -4.07 116.55 123.71 1rxs n ASP 1170Ca 0.02 -3.03 -0.20 0.00 -1.38 0.00 0.00 54.79 50.20 1rxs n ASP 1170Cb 0.40 -1.54 -0.08 0.00 -1.04 0.00 0.00 41.12 38.85 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 4.18 0.00 -0.13 5.18 -2.24 -1.26 -5.01 114.28 114.99 1rxs n THR 1171Ca 0.39 -2.47 -0.06 0.00 -2.27 0.00 0.00 64.05 59.64 1rxs n THR 1171Cb 0.40 1.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.88 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 2.07 0.40 0.00 4.78 5.03 -1.99 -3.13 116.97 124.13 1rxs h TYR 1172Ca -0.24 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 60.85 1rxs h TYR 1172Cb 1.21 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.34 1rxs h TYR 1172CO 0.00 0.21 -1.44 0.66 -1.32 0.00 0.00 178.16 176.27 1rxs h SER 1173N 0.43 0.00 -0.33 -2.11 4.64 -1.97 -3.48 113.55 110.73 1rxs h SER 1173Ca 0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1rxs h SER 1173Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1rxs h SER 1173CO -0.12 0.87 -0.13 0.61 -0.87 0.00 0.00 176.83 177.19 1rxs n GLY 1174N 1.46 0.91 3.06 -0.77 0.00 -1.19 -5.00 105.19 103.67 1rxs n GLY 1174Ca -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.53 0.53 -0.05 1.61 1.70 -1.26 -4.91 118.95 114.03 1rxs s ARG 1175Ca 0.00 -0.97 0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1rxs s ARG 1175Cb 0.00 0.19 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 1rxs s ARG 1175CO 0.00 -0.10 -0.19 0.08 -1.08 0.00 0.00 175.30 174.01 1rxs s VAL 1176N -3.02 1.57 0.35 4.99 1.01 -1.26 -4.93 120.40 119.11 1rxs s VAL 1176Ca -0.01 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1rxs s VAL 1176Cb 0.01 -1.35 -0.13 0.00 0.00 0.00 0.00 36.38 34.92 1rxs s VAL 1176CO -0.07 0.45 0.97 0.55 0.00 0.00 0.00 175.10 177.00 1rxs n VAL 1177N 3.21 2.14 -0.35 2.92 3.14 -1.26 -4.65 118.33 123.47 1rxs n VAL 1177Ca -0.19 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.74 1rxs n VAL 1177Cb 0.53 -1.02 0.12 0.00 -1.06 0.00 0.00 33.84 32.41 1rxs n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rxs n ARG 1178N 0.49 -0.11 -0.28 1.45 0.63 -1.26 -0.59 116.66 116.99 1rxs n ARG 1178Ca 0.10 1.52 0.22 0.00 -0.92 0.00 0.00 57.85 58.77 1rxs n ARG 1178Cb 0.36 -2.27 0.54 0.00 0.45 0.00 0.00 32.46 31.53 1rxs n ARG 1178CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxs h HIS 1179N 0.00 0.54 -0.01 -0.14 2.76 -2.03 -2.33 115.15 113.93 1rxs h HIS 1179Ca 0.45 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1rxs h HIS 1179Cb 0.70 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1rxs h HIS 1179CO -0.76 0.09 -0.56 1.19 -1.30 0.00 0.00 177.93 176.58 1rxs n PHE 1180N -4.53 0.00 -1.91 5.26 3.01 0.25 -4.81 117.46 114.73 1rxs n PHE 1180Ca 0.23 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.26 1rxs n PHE 1180Cb 0.83 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.27 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 -2.43 4.18 0.00 -1.08 2.20 -0.88 -1.08 119.74 120.66 1rxs s LYS 1181Ca 0.14 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1rxs s LYS 1181Cb 0.16 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1rxs s LYS 1181CO 0.59 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1rxs n GLY 1182N 4.15 0.50 0.19 5.54 0.00 -1.26 -4.93 105.19 109.38 1rxs n GLY 1182Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.54 -0.41 1.61 4.64 -1.42 -3.00 113.55 115.52 1rxs h SER 1183Ca 0.00 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1rxs h SER 1183Cb 0.09 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1rxs h SER 1183CO 0.00 1.07 0.16 -0.03 -0.87 0.00 0.00 176.83 177.16 1rxs h MET 1184N 0.33 0.61 -0.94 4.77 -1.53 -1.92 -0.79 114.93 115.45 1rxs h MET 1184Ca -0.02 -0.11 0.10 0.00 -3.44 0.00 0.00 59.70 56.23 1rxs h MET 1184Cb 1.25 -0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 32.13 1rxs h MET 1184CO 0.12 0.57 0.58 1.49 0.14 0.00 0.00 176.91 179.81 1rxs h GLU 1185N 0.51 0.93 -0.14 0.39 4.81 -1.96 0.21 114.58 119.34 1rxs h GLU 1185Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1rxs h GLU 1185Cb 0.19 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1rxs h GLU 1185CO -0.01 0.62 0.04 0.93 -0.73 0.00 0.00 179.01 179.85 1rxs h GLU 1186N 0.96 0.22 -0.47 1.92 4.39 -1.19 -1.99 114.58 118.41 1rxs h GLU 1186Ca 0.45 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1rxs h GLU 1186Cb 0.38 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1rxs h GLU 1186CO -0.24 0.37 0.18 -1.49 -1.16 0.00 0.00 179.01 176.67 1rxs h TRP 1187N 0.03 0.67 -0.22 4.33 -0.00 -0.81 -1.83 115.95 118.13 1rxs h TRP 1187Ca 0.04 -0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1rxs h TRP 1187Cb 0.24 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.18 1rxs h TRP 1187CO 0.00 0.53 0.13 0.37 -0.00 0.00 0.00 178.44 179.47 1rxs h GLN 1188N 0.67 0.26 0.00 0.49 4.15 -0.81 -1.10 115.11 118.76 1rxs h GLN 1188Ca 0.16 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 1rxs h GLN 1188Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1rxs h GLN 1188CO -0.02 0.17 -0.25 0.00 -1.93 0.00 0.00 178.83 176.81 1rxs h ALA 1189N 1.09 1.24 -0.04 3.38 0.00 -0.79 -2.28 119.26 121.86 1rxs h ALA 1189Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1rxs h ALA 1189Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rxs h ALA 1189CO -0.04 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 1rxs n MET 1190N -3.73 1.53 -0.72 0.00 2.81 -0.74 -4.90 117.12 111.36 1rxs n MET 1190Ca -0.01 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.11 1rxs n MET 1190Cb 0.36 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 1.12 0.69 3.73 3.03 0.00 -0.86 -5.03 105.19 107.87 1rxs n GLY 1191Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 0.46 0.14 1.61 0.31 -0.47 -4.63 118.33 113.19 1rxs n VAL 1192Ca 0.00 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 1rxs n VAL 1192Cb 0.00 -1.96 -0.16 0.00 -0.91 0.00 0.00 33.84 30.81 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 5.86 0.52 -2.83 5.55 0.00 -0.94 -3.41 114.93 119.67 1rxs h MET 1193Ca -0.45 -0.89 0.07 0.00 0.00 0.00 0.00 59.70 58.44 1rxs h MET 1193Cb 1.21 0.33 -0.04 0.00 0.00 0.00 0.00 31.60 33.11 1rxs h MET 1193CO 0.88 1.43 0.33 0.54 0.00 0.00 0.00 176.91 180.08 1rxs s ASN 1194N -7.53 -0.14 -0.05 1.22 4.22 -1.26 -0.26 114.94 111.14 1rxs s ASN 1194Ca -0.10 -0.73 0.04 0.00 -2.14 0.00 0.00 52.86 49.93 1rxs s ASN 1194Cb 0.04 0.70 -0.03 0.00 1.28 0.00 0.00 41.25 43.24 1rxs s ASN 1194CO 0.93 -1.33 -0.15 -0.31 -2.04 0.00 0.00 177.10 174.20 1rxs s TYR 1195N -3.16 2.67 0.00 1.54 1.51 -0.89 -0.93 117.35 118.10 1rxs s TYR 1195Ca 0.14 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1rxs s TYR 1195Cb -0.05 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1rxs s TYR 1195CO 0.07 0.17 0.00 -0.85 -1.11 0.00 0.00 175.55 173.83 1rxs n GLU 1196N 2.31 0.00 0.00 -0.62 -0.00 -0.76 -3.43 120.64 118.14 1rxs n GLU 1196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1rxs n GLU 1196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.00 1.78 0.00 3.44 2.81 -1.26 -0.56 117.12 123.33 1rxs n MET 1197Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 1rxs n MET 1197Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 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 -0.30 2.29 -0.15 0.03 4.71 -1.26 -3.47 120.64 122.49 1rxs n GLU 1198Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1rxs n GLU 1198Cb 0.34 -0.72 0.21 0.00 -1.01 0.00 0.00 31.44 30.25 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 0.79 -0.73 1.62 4.64 -1.94 -1.06 113.55 116.86 1rxs h SER 1199Ca 0.00 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1rxs h SER 1199Cb 0.30 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1rxs h SER 1199CO 0.00 0.72 0.46 0.00 -0.87 0.00 0.00 176.83 177.15 1rxs h ALA 1200N 1.39 0.96 -0.01 5.18 0.00 -1.87 0.38 119.26 125.29 1rxs h ALA 1200Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rxs h ALA 1200Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rxs h ALA 1200CO -0.01 0.26 -0.01 1.15 0.00 0.00 0.00 179.25 180.64 1rxs h THR 1201N 0.91 1.36 -0.07 0.00 2.02 -1.74 -2.28 112.91 113.12 1rxs h THR 1201Ca 0.29 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1rxs h THR 1201Cb 0.00 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1rxs h THR 1201CO -0.10 0.28 -0.07 0.25 0.37 0.00 0.00 175.52 176.25 1rxs h LEU 1202N -0.43 -0.21 -0.38 2.58 5.85 -0.92 -0.40 115.31 121.40 1rxs h LEU 1202Ca 0.00 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1rxs h LEU 1202Cb 0.47 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1rxs h LEU 1202CO 0.00 -0.09 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.71 1rxs h LEU 1203N -0.08 0.86 -0.40 2.25 3.38 -0.29 -1.72 115.31 119.32 1rxs h LEU 1203Ca 0.05 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1rxs h LEU 1203Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1rxs h LEU 1203CO -0.13 1.10 0.09 0.74 0.09 0.00 0.00 178.44 180.33 1rxs h THR 1204N 0.63 1.23 -0.24 0.22 2.02 -1.29 0.15 112.91 115.64 1rxs h THR 1204Ca 0.08 -0.81 -0.13 0.00 0.77 0.00 0.00 66.41 66.32 1rxs h THR 1204Cb 0.79 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1rxs h THR 1204CO 0.06 0.28 -0.40 0.00 0.37 0.00 0.00 175.52 175.83 1rxs h MET 1205N 0.50 0.56 -0.09 6.66 -0.00 -0.95 -2.20 114.93 119.42 1rxs h MET 1205Ca 0.12 -0.29 -0.11 0.00 -0.00 0.00 0.00 59.70 59.43 1rxs h MET 1205Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1rxs h MET 1205CO 0.00 0.87 -0.35 0.00 -0.00 0.00 0.00 176.91 177.43 1rxs h ALA 1207N 0.46 1.15 -0.59 0.00 0.00 -0.89 -1.17 119.26 118.23 1rxs h ALA 1207Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rxs h ALA 1207Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rxs h ALA 1207CO 0.07 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 1rxs n SER 1208N -3.39 3.68 -0.20 0.00 3.41 -0.83 -4.31 113.62 111.97 1rxs n SER 1208Ca -0.01 -1.99 0.01 0.00 -0.26 0.00 0.00 58.87 56.62 1rxs n SER 1208Cb 0.22 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.44 0.45 -1.16 4.33 6.02 -0.77 -5.01 117.38 122.68 1rxs n GLN 1209Ca 0.21 -1.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.15 1rxs n GLN 1209Cb 0.59 -0.65 -0.02 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.19 0.81 3.80 1.08 0.00 -1.04 -5.02 105.19 104.62 1rxs n GLY 1210Ca 0.02 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.27 3.98 -0.05 0.99 1.43 -0.51 -5.05 118.68 118.21 1rxs s LEU 1211Ca 0.00 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 1rxs s LEU 1211Cb 0.00 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1rxs s LEU 1211CO 0.00 0.31 0.59 -0.13 0.23 0.00 0.00 176.35 177.35 1rxs s ARG 1212N -1.48 4.35 0.03 1.70 0.52 -0.67 -3.91 118.95 119.48 1rxs s ARG 1212Ca 0.20 0.70 0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1rxs s ARG 1212Cb -0.12 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 1rxs s ARG 1212CO 0.11 0.25 -0.05 0.00 0.02 0.00 0.00 175.30 175.62 1rxs s ALA 1213N 0.23 0.36 0.10 2.13 0.00 -1.26 0.22 121.76 123.53 1rxs s ALA 1213Ca 0.31 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1rxs s ALA 1213Cb -0.17 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1rxs s ALA 1213CO 0.16 -0.06 0.02 0.20 0.00 0.00 0.00 175.76 176.07 1rxs s GLY 1214N -1.35 0.77 -0.04 0.00 0.00 -0.42 -0.35 107.32 105.93 1rxs s GLY 1214Ca -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.24 1rxs s GLY 1214CO -0.00 -1.35 0.07 -0.29 0.00 0.00 0.00 173.10 171.52 1rxs s MET 1215N -3.99 -0.02 -0.01 2.90 1.75 -1.26 -1.16 119.30 117.51 1rxs s MET 1215Ca 0.17 0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.91 1rxs s MET 1215Cb 0.08 -0.31 0.00 0.00 2.84 0.00 0.00 34.83 37.44 1rxs s MET 1215CO -0.03 -0.22 -0.04 0.54 -0.65 0.00 0.00 175.02 174.62 1rxs s VAL 1216N 1.46 0.33 0.03 10.11 0.11 0.17 -2.10 120.40 130.52 1rxs s VAL 1216Ca -0.05 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1rxs s VAL 1216Cb -0.12 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1rxs s VAL 1216CO -0.04 0.11 0.00 0.00 -3.33 0.00 0.00 175.10 171.85 1rxs s ALA 1217N 0.13 0.12 -0.04 1.54 0.00 -0.30 -1.00 121.76 122.21 1rxs s ALA 1217Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1rxs s ALA 1217Cb -0.04 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1rxs s ALA 1217CO -0.00 -0.22 0.27 0.20 0.00 0.00 0.00 175.76 176.01 1rxs s GLY 1218N -1.78 2.30 -0.29 0.00 0.00 -0.62 -0.43 107.32 106.50 1rxs s GLY 1218Ca -0.11 -0.47 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 1rxs s GLY 1218CO -0.03 -0.19 0.98 0.14 0.00 0.00 0.00 173.10 174.00 1rxs s VAL 1219N -1.12 4.63 -0.07 1.40 1.01 -0.75 -1.46 120.40 124.04 1rxs s VAL 1219Ca 0.21 1.66 0.19 0.00 0.00 0.00 0.00 61.98 64.05 1rxs s VAL 1219Cb -0.14 -4.31 -0.29 0.00 0.00 0.00 0.00 36.38 31.64 1rxs s VAL 1219CO 0.10 -0.33 0.34 2.30 0.00 0.00 0.00 175.10 177.51 1rxs n ILE 1220N 5.63 0.35 -3.80 2.22 -5.35 -0.33 -1.90 119.36 116.18 1rxs n ILE 1220Ca 0.10 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.91 1rxs n ILE 1220Cb 0.47 -0.11 -0.08 0.00 -1.74 0.00 0.00 39.64 38.18 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 -3.14 0.10 -0.23 7.28 0.11 -1.24 -4.94 120.40 118.33 1rxs s VAL 1221Ca -0.08 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1rxs s VAL 1221Cb 0.11 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1rxs s VAL 1221CO 0.82 -0.43 -0.07 0.21 -3.33 0.00 0.00 175.10 172.30 1rxs s ASN 1222N -2.04 4.15 0.22 3.54 3.84 -1.26 -1.54 114.94 121.86 1rxs s ASN 1222Ca -0.06 -0.67 0.20 0.00 0.21 0.00 0.00 52.86 52.54 1rxs s ASN 1222Cb -0.01 -1.67 0.91 0.00 -0.55 0.00 0.00 41.25 39.93 1rxs s ASN 1222CO -0.03 -0.07 1.62 0.54 -2.79 0.00 0.00 177.10 176.36 1rxs n ARG 1223N 4.71 0.14 0.00 0.43 5.12 -0.03 -1.81 116.66 125.22 1rxs n ARG 1223Ca -0.18 0.46 0.09 0.00 -1.93 0.00 0.00 57.85 56.29 1rxs n ARG 1223Cb 0.49 -1.82 0.54 0.00 -1.16 0.00 0.00 32.46 30.51 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 -2.09 0.00 0.00 0.55 -2.24 -1.26 -3.59 114.28 105.64 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 0.16 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.79 3.06 -3.62 -0.78 10.64 -0.75 -5.11 117.38 120.02 1rxs n GLN 1225Ca 0.14 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.15 1rxs n GLN 1225Cb 0.06 -0.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.68 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 -0.95 0.89 -0.14 2.61 -0.21 -1.11 -5.08 119.66 115.67 1rxs s GLN 1226Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 55.36 55.36 1rxs s GLN 1226Cb 0.00 0.41 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 1rxs s GLN 1226CO 0.00 -0.27 -0.15 0.93 -2.12 0.00 0.00 175.29 173.68 1rxs h GLU 1227N 3.36 0.00 -5.86 2.91 5.08 -1.88 -3.34 114.58 114.85 1rxs h GLU 1227Ca -0.28 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.50 1rxs h GLU 1227Cb 1.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 1rxs h GLU 1227CO 0.39 0.01 0.24 0.42 -1.00 0.00 0.00 179.01 179.07 1rxs s ILE 1228N -2.15 4.96 0.05 3.13 -1.09 -1.26 -4.99 121.20 119.85 1rxs s ILE 1228Ca -0.13 1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 59.72 1rxs s ILE 1228Cb 0.02 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1rxs s ILE 1228CO 0.19 0.10 0.03 -2.65 -1.23 0.00 0.00 174.94 171.38 1rxs n PRO 1229N 4.90 -1.48 0.00 2.79 -0.02 -1.26 -5.10 135.00 134.83 1rxs n PRO 1229Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1rxs n PRO 1229Cb 0.50 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1rxs n PRO 1229CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1rxs n MET 1234N -1.80 0.00 0.24 -0.52 0.00 -1.26 -5.07 117.12 108.71 1rxs n MET 1234Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.82 1rxs n MET 1234Cb 0.02 0.00 0.57 0.00 0.00 0.00 0.00 33.22 33.81 1rxs n MET 1234CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1rxs h LYS 1235N 0.00 0.00 0.00 2.12 3.64 -2.01 -2.84 116.57 117.48 1rxs h LYS 1235Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rxs h LYS 1235Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1rxs h LYS 1235CO 0.00 0.18 -0.09 1.96 -2.27 0.00 0.00 179.45 179.23 1rxs h GLN 1236N 0.00 0.00 -0.01 1.90 4.20 -2.03 -2.93 115.11 116.24 1rxs h GLN 1236Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1rxs h GLN 1236Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1rxs h GLN 1236CO 0.02 0.00 -0.31 1.15 -0.67 0.00 0.00 178.83 179.03 1rxs h THR 1237N 0.00 1.51 0.00 -0.54 2.02 -1.85 -2.54 112.91 111.51 1rxs h THR 1237Ca 0.00 -1.92 -0.10 0.00 0.77 0.00 0.00 66.41 65.16 1rxs h THR 1237Cb 0.84 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1rxs h THR 1237CO 0.00 0.53 -0.49 1.05 0.37 0.00 0.00 175.52 176.98 1rxs h GLU 1238N -0.39 0.00 -0.38 6.66 4.11 -1.66 -1.98 114.58 120.95 1rxs h GLU 1238Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1rxs h GLU 1238Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1rxs h GLU 1238CO 0.06 0.49 0.25 0.77 0.07 0.00 0.00 179.01 180.65 1rxs h SER 1239N 0.00 0.43 0.15 3.06 0.02 -1.55 0.14 113.55 115.80 1rxs h SER 1239Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1rxs h SER 1239Cb 1.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1rxs h SER 1239CO 0.06 0.31 -0.07 0.45 -1.14 0.00 0.00 176.83 176.44 1rxs h HIS 1240N 0.51 -0.18 -0.78 3.45 3.86 -0.97 -2.22 115.15 118.80 1rxs h HIS 1240Ca 0.14 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1rxs h HIS 1240Cb -0.06 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1rxs h HIS 1240CO -0.00 0.25 0.51 0.00 0.86 0.00 0.00 177.93 179.55 1rxs h ALA 1241N -0.03 1.02 -0.19 2.45 0.00 -1.22 0.58 119.26 121.87 1rxs h ALA 1241Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1rxs h ALA 1241Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rxs h ALA 1241CO 0.03 0.35 0.03 0.28 0.00 0.00 0.00 179.25 179.95 1rxs h VAL 1242N 1.01 1.22 -0.61 0.00 2.07 -0.80 -0.21 116.25 118.94 1rxs h VAL 1242Ca 0.30 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.22 1rxs h VAL 1242Cb -0.05 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1rxs h VAL 1242CO -0.09 0.22 0.09 0.50 0.02 0.00 0.00 177.57 178.31 1rxs h LYS 1243N 0.11 0.21 -0.65 1.57 3.64 -1.04 -1.44 116.57 118.97 1rxs h LYS 1243Ca 0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1rxs h LYS 1243Cb 0.30 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1rxs h LYS 1243CO 0.00 0.14 0.30 0.82 -2.27 0.00 0.00 179.45 178.44 1rxs h ILE 1244N 0.21 1.22 -0.30 2.00 2.04 -0.37 -1.56 117.51 120.76 1rxs h ILE 1244Ca 0.32 -0.64 -0.16 0.00 1.00 0.00 0.00 64.86 65.37 1rxs h ILE 1244Cb 0.50 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1rxs h ILE 1244CO -0.44 0.26 -0.47 1.62 0.00 0.00 0.00 178.15 179.12 1rxs h VAL 1245N 0.89 1.28 -0.60 1.67 3.04 -0.44 -1.15 116.25 120.96 1rxs h VAL 1245Ca 0.22 -1.66 -0.04 0.00 -1.01 0.00 0.00 66.70 64.21 1rxs h VAL 1245Cb 0.13 1.55 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 1rxs h VAL 1245CO -0.03 0.54 0.22 0.58 -1.01 0.00 0.00 177.57 177.87 1rxs h VAL 1246N 0.63 1.23 -0.04 1.51 2.07 -1.17 -0.57 116.25 119.91 1rxs h VAL 1246Ca 0.03 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1rxs h VAL 1246Cb 1.05 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1rxs h VAL 1246CO 0.10 0.29 -0.43 -0.08 0.02 0.00 0.00 177.57 177.48 1rxs h GLU 1247N 0.83 0.08 -0.22 1.57 4.57 -1.09 -1.55 114.58 118.77 1rxs h GLU 1247Ca 0.20 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.15 1rxs h GLU 1247Cb 0.24 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1rxs h GLU 1247CO -0.01 0.50 -0.59 0.00 -1.18 0.00 0.00 179.01 177.73 1rxs h ALA 1248N 1.50 0.37 -0.58 2.92 0.00 -0.86 -2.85 119.26 119.76 1rxs h ALA 1248Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.48 1rxs h ALA 1248Cb 0.79 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1rxs h ALA 1248CO 0.06 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.12 1rxs h ALA 1249N 0.62 0.72 -0.81 0.00 0.00 -0.78 -0.26 119.26 118.75 1rxs h ALA 1249Ca -0.01 0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.18 1rxs h ALA 1249Cb 1.20 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1rxs h ALA 1249CO 0.13 -0.22 0.25 -0.09 0.00 0.00 0.00 179.25 179.32 1rxs h ARG 1250N 0.36 0.29 0.00 0.00 2.43 -1.07 -0.67 114.38 115.73 1rxs h ARG 1250Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1rxs h ARG 1250Cb 0.36 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1rxs h ARG 1250CO -0.31 0.19 -0.07 0.54 -1.51 0.00 0.00 179.97 178.82 1rxs n ARG 1251N -5.13 0.08 -0.22 0.20 1.74 -0.18 -3.36 116.66 109.79 1rxs n ARG 1251Ca 0.18 0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1rxs n ARG 1251Cb 0.56 -1.58 0.22 0.00 -1.02 0.00 0.00 32.46 30.63 1rxs n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxs n LEU 1252N -1.71 3.37 -0.02 0.55 4.77 -0.28 -5.05 117.00 118.62 1rxs n LEU 1252Ca 0.06 -1.66 0.16 0.00 -0.03 0.00 0.00 56.01 54.54 1rxs n LEU 1252Cb 0.37 -0.28 0.93 0.00 -2.33 0.00 0.00 43.42 42.10 1rxs n LEU 1252CO 0.29 0.77 1.10 0.18 -1.33 0.00 0.00 177.39 178.40