#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs n ASP 1005N 0.00 0.75 -4.32 -3.46 8.00 0.27 -4.91 116.55 112.88 1rxs n ASP 1005Ca 0.00 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.44 1rxs n ASP 1005Cb 0.00 0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.38 1rxs n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxs s VAL 1006N -3.27 1.79 0.18 2.53 -7.23 -1.22 -5.06 120.40 108.12 1rxs s VAL 1006Ca 0.03 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1rxs s VAL 1006Cb 0.12 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.25 1rxs s VAL 1006CO 0.77 -0.21 1.47 0.15 -0.31 0.00 0.00 175.10 176.97 1rxs h PHE 1007N 3.59 0.72 0.00 2.82 3.57 -1.94 -3.35 116.94 122.34 1rxs h PHE 1007Ca -0.44 -0.27 -0.32 0.00 3.53 0.00 0.00 57.97 60.47 1rxs h PHE 1007Cb 1.20 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1rxs h PHE 1007CO 0.65 1.02 -2.20 0.72 -2.23 0.00 0.00 178.31 176.28 1rxs n HIS 1008N -3.94 0.00 0.29 0.41 8.25 -1.26 -4.66 115.22 114.31 1rxs n HIS 1008Ca -0.04 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.58 1rxs n HIS 1008Cb 0.64 -0.80 0.56 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.77 2.41 3.38 -1.93 -3.44 115.31 113.84 1rxs h LEU 1009Ca -0.48 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.13 1rxs h LEU 1009Cb 1.69 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.56 1rxs h LEU 1009CO -0.11 0.00 -0.80 0.61 0.09 0.00 0.00 178.44 178.23 1rxs n GLY 1010N 0.29 -0.38 3.32 0.83 0.00 -1.26 -4.64 105.19 103.36 1rxs n GLY 1010Ca 0.02 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.44 2.46 0.22 0.99 1.43 -1.26 -4.77 118.68 111.30 1rxs s LEU 1011Ca 0.03 -1.09 0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1rxs s LEU 1011Cb -0.01 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 1rxs s LEU 1011CO 0.77 -0.32 -0.21 0.42 0.23 0.00 0.00 176.35 177.24 1rxs s THR 1012N -3.19 2.23 0.40 5.49 -4.23 -1.26 -0.57 115.64 114.51 1rxs s THR 1012Ca 0.23 -2.15 0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1rxs s THR 1012Cb 0.02 -2.12 0.35 0.00 1.34 0.00 0.00 72.50 72.10 1rxs s THR 1012CO 0.06 -0.29 1.88 0.50 -0.54 0.00 0.00 174.62 176.23 1rxs h LYS 1013N 2.86 0.49 -0.81 3.99 3.64 -1.97 -1.26 116.57 123.51 1rxs h LYS 1013Ca -0.43 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1rxs h LYS 1013Cb 1.23 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1rxs h LYS 1013CO 0.54 0.33 0.54 -0.97 -2.27 0.00 0.00 179.45 177.61 1rxs h ASN 1014N 0.51 0.93 -0.38 4.20 -0.73 -1.95 -2.87 115.58 115.28 1rxs h ASN 1014Ca 0.43 -0.03 0.11 0.00 1.87 0.00 0.00 56.30 58.68 1rxs h ASN 1014Cb 0.90 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1rxs h ASN 1014CO -0.17 0.67 0.31 0.44 -0.37 0.00 0.00 177.43 178.32 1rxs h ASP 1015N 1.10 0.00 1.74 1.15 3.32 -1.63 -1.93 116.42 120.16 1rxs h ASP 1015Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1rxs h ASP 1015Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1rxs h ASP 1015CO -0.06 0.00 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.18 1rxs h LEU 1016N 0.00 0.00 -0.80 1.55 4.07 -1.59 -3.48 115.31 115.07 1rxs h LEU 1016Ca 0.18 -0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.65 1rxs h LEU 1016Cb 0.80 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.44 1rxs h LEU 1016CO -0.00 0.00 -0.76 0.00 -1.08 0.00 0.00 178.44 176.61 1rxs n GLN 1017N -2.93 -4.50 -0.90 1.13 6.02 -0.73 -1.40 117.38 114.08 1rxs n GLN 1017Ca 0.03 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1rxs n GLN 1017Cb 0.52 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.45 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 -1.53 0.55 3.71 1.08 0.00 -1.26 -4.80 105.19 102.93 1rxs n GLY 1018Ca 0.05 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1rxs n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 1019N 0.69 1.32 -0.61 4.61 0.00 -0.49 -4.92 120.51 121.10 1rxs n ALA 1019Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1rxs n ALA 1019Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 -0.38 0.02 -5.07 0.00 -2.24 -1.26 -4.32 114.28 101.03 1rxs n THR 1020Ca 0.07 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1rxs n THR 1020Cb 0.41 1.56 -0.16 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.02 2.00 -0.05 3.22 0.20 -1.26 0.21 118.68 122.98 1rxs s LEU 1021Ca 0.00 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1rxs s LEU 1021Cb 0.00 -1.17 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 1rxs s LEU 1021CO 0.00 0.21 -0.12 0.00 -0.29 0.00 0.00 176.35 176.15 1rxs s ALA 1022N -0.14 1.21 -0.19 5.97 0.00 0.24 -1.74 121.76 127.11 1rxs s ALA 1022Ca -0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 1rxs s ALA 1022Cb -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1rxs s ALA 1022CO 0.02 0.15 0.58 0.42 0.00 0.00 0.00 175.76 176.93 1rxs s ILE 1023N 0.44 5.07 -0.55 0.00 1.01 -0.06 -0.75 121.20 126.35 1rxs s ILE 1023Ca -0.10 1.09 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1rxs s ILE 1023Cb -0.13 -3.90 0.14 0.00 0.01 0.00 0.00 42.46 38.58 1rxs s ILE 1023CO 0.03 0.15 0.30 0.68 0.00 0.00 0.00 174.94 176.10 1rxs s VAL 1024N 1.69 2.80 0.81 2.92 -7.23 0.78 -1.49 120.40 120.67 1rxs s VAL 1024Ca 0.27 -3.31 -0.12 0.00 -1.81 0.00 0.00 61.98 57.01 1rxs s VAL 1024Cb -0.16 -2.91 0.08 0.00 0.56 0.00 0.00 36.38 33.95 1rxs s VAL 1024CO 0.10 -0.82 1.17 -2.16 -0.31 0.00 0.00 175.10 173.08 1rxs s PRO 1025N -0.32 1.98 -0.05 4.82 0.04 -1.24 -3.35 135.00 136.89 1rxs s PRO 1025Ca 0.17 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 1rxs s PRO 1025Cb -0.24 -1.95 -0.27 0.00 0.04 0.00 0.00 34.50 32.08 1rxs s PRO 1025CO -0.01 -1.59 0.65 0.78 0.04 0.00 0.00 177.00 176.87 1rxs h GLY 1026N -1.05 0.26 -7.14 0.56 0.00 -1.84 -1.54 103.07 92.31 1rxs h GLY 1026Ca -0.46 -0.67 -0.62 0.00 0.00 0.00 0.00 47.33 45.58 1rxs h GLY 1026CO 0.66 0.59 -0.33 -0.35 0.00 0.00 0.00 176.54 177.11 1rxs s ASP 1027N -6.88 6.23 0.41 0.19 3.68 -1.26 -0.96 116.67 118.09 1rxs s ASP 1027Ca -0.13 0.26 0.17 0.00 2.13 0.00 0.00 52.55 54.98 1rxs s ASP 1027Cb 0.07 -2.18 1.07 0.00 -1.45 0.00 0.00 42.92 40.42 1rxs s ASP 1027CO 0.82 -0.09 1.86 1.55 0.13 0.00 0.00 175.17 179.44 1rxs h PRO 1028N 7.89 0.41 0.00 4.34 0.13 -1.89 -1.57 132.00 141.31 1rxs h PRO 1028Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1rxs h PRO 1028Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rxs h PRO 1028CO 0.65 0.27 0.00 -0.44 -0.23 0.00 0.00 178.00 178.25 1rxs h ASP 1029N 0.42 0.00 0.61 1.44 3.32 -1.95 -2.61 116.42 117.65 1rxs h ASP 1029Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1rxs h ASP 1029Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1rxs h ASP 1029CO -0.18 0.00 -0.83 -1.14 -1.72 0.00 0.00 179.24 175.38 1rxs n ARG 1030N -2.35 0.26 0.24 3.56 0.63 -0.59 -4.43 116.66 113.97 1rxs n ARG 1030Ca 0.03 0.03 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 1rxs n ARG 1030Cb 0.28 -1.62 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 1rxs n ARG 1030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 1031N 0.00 0.61 -0.86 5.15 2.07 -1.45 -2.46 116.25 119.31 1rxs h VAL 1031Ca 0.00 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1rxs h VAL 1031Cb 0.72 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1rxs h VAL 1031CO 0.00 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.04 1rxs h GLU 1032N -0.54 0.90 -0.77 1.57 4.81 -1.77 -1.25 114.58 117.53 1rxs h GLU 1032Ca -0.05 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1rxs h GLU 1032Cb 0.41 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1rxs h GLU 1032CO 0.09 0.60 0.49 0.87 -0.73 0.00 0.00 179.01 180.33 1rxs h LYS 1033N 0.93 0.95 0.02 1.92 1.57 -1.73 -0.87 116.57 119.36 1rxs h LYS 1033Ca 0.39 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1rxs h LYS 1033Cb 0.24 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1rxs h LYS 1033CO -0.20 0.63 -0.01 0.82 -0.57 0.00 0.00 179.45 180.12 1rxs h ILE 1034N 0.97 1.30 -0.92 1.86 2.04 -1.04 -3.13 117.51 118.59 1rxs h ILE 1034Ca 0.30 -1.03 0.15 0.00 1.00 0.00 0.00 64.86 65.29 1rxs h ILE 1034Cb -0.01 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1rxs h ILE 1034CO -0.10 0.26 0.59 0.00 0.00 0.00 0.00 178.15 178.90 1rxs h ALA 1035N 0.48 1.79 0.00 1.87 0.00 -1.05 -1.57 119.26 120.77 1rxs h ALA 1035Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rxs h ALA 1035Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rxs h ALA 1035CO 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1rxs h ALA 1036N 1.60 1.00 -0.00 0.00 0.00 -1.10 -0.17 119.26 120.59 1rxs h ALA 1036Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1rxs h ALA 1036Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rxs h ALA 1036CO -0.23 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.29 1rxs n LEU 1037N -2.91 0.02 0.00 0.00 4.32 -0.59 -4.85 117.00 112.99 1rxs n LEU 1037Ca -0.02 0.26 -0.22 0.00 -0.02 0.00 0.00 56.01 56.01 1rxs n LEU 1037Cb 0.13 -0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 41.64 1rxs n LEU 1037CO 0.20 0.00 -0.06 0.23 -1.22 0.00 0.00 177.39 176.54 1rxs n MET 1038N -1.25 0.97 -3.29 3.23 2.81 -0.07 -5.13 117.12 114.38 1rxs n MET 1038Ca 0.15 -2.72 -0.32 0.00 -1.81 0.00 0.00 57.70 53.00 1rxs n MET 1038Cb 0.23 0.51 -0.06 0.00 -0.71 0.00 0.00 33.22 33.20 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 -3.29 6.70 -1.34 7.83 -0.00 -0.24 -4.54 116.67 121.78 1rxs s ASP 1039Ca 0.12 1.09 -0.05 0.00 -0.00 0.00 0.00 52.55 53.70 1rxs s ASP 1039Cb -0.01 -2.29 -0.00 0.00 -0.00 0.00 0.00 42.92 40.62 1rxs s ASP 1039CO 0.08 -0.13 0.51 0.29 -0.00 0.00 0.00 175.17 175.91 1rxs n LYS 1040N -0.24 -2.84 -2.16 8.23 5.02 -1.26 -0.14 118.16 124.76 1rxs n LYS 1040Ca 0.02 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 1rxs n LYS 1040Cb 0.53 -4.41 -0.03 0.00 -0.02 0.00 0.00 35.03 31.10 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 -6.44 4.32 -0.03 1.97 0.04 -1.26 -4.41 135.00 129.18 1rxs s PRO 1041Ca 0.11 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1rxs s PRO 1041Cb -0.04 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1rxs s PRO 1041CO 0.88 -0.42 -0.01 0.08 0.04 0.00 0.00 177.00 177.57 1rxs s VAL 1042N 0.93 0.29 0.10 -0.36 1.01 0.02 -5.00 120.40 117.40 1rxs s VAL 1042Ca 0.63 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 1rxs s VAL 1042Cb -0.37 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 1rxs s VAL 1042CO 0.32 0.17 1.34 -0.75 0.00 0.00 0.00 175.10 176.18 1rxs s LYS 1043N 0.99 4.35 -0.23 2.72 2.20 -1.26 -1.34 119.74 127.17 1rxs s LYS 1043Ca -0.10 2.00 -0.16 0.00 -0.36 0.00 0.00 55.97 57.35 1rxs s LYS 1043Cb -0.14 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1rxs s LYS 1043CO -0.01 -0.39 -0.31 1.28 -0.36 0.00 0.00 175.35 175.56 1rxs n LEU 1044N 3.92 1.94 -3.72 5.43 4.77 0.36 -4.92 117.00 124.79 1rxs n LEU 1044Ca 0.11 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1rxs n LEU 1044Cb 0.43 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1rxs n LEU 1044CO 0.58 0.18 0.47 0.00 -1.33 0.00 0.00 177.39 177.29 1rxs s ALA 1045N -2.66 -1.37 -0.28 -1.18 0.00 -0.96 -5.00 121.76 110.31 1rxs s ALA 1045Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1rxs s ALA 1045Cb 0.10 0.84 0.17 0.00 0.00 0.00 0.00 23.12 24.23 1rxs s ALA 1045CO 0.46 -0.95 0.52 0.45 0.00 0.00 0.00 175.76 176.23 1rxs s SER 1046N -2.86 -0.79 -0.02 0.00 0.15 -1.25 -0.55 113.70 108.36 1rxs s SER 1046Ca 0.08 0.44 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 1rxs s SER 1046Cb -0.04 1.74 0.02 0.00 -1.71 0.00 0.00 66.02 66.03 1rxs s SER 1046CO 0.01 -0.29 0.05 -1.00 1.20 0.00 0.00 173.24 173.21 1rxs s HIS 1047N 2.73 -0.03 0.00 3.44 3.76 -0.23 -4.99 115.29 119.98 1rxs s HIS 1047Ca 0.16 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1rxs s HIS 1047Cb -0.14 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1rxs s HIS 1047CO -0.22 -0.07 0.00 0.54 -0.85 0.00 0.00 174.74 174.14 1rxs n ARG 1048N 3.75 0.00 -0.05 1.40 1.74 -1.26 0.38 116.66 122.61 1rxs n ARG 1048Ca -0.21 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.92 1rxs n ARG 1048Cb 0.54 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 32.24 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 1.31 -3.45 5.56 0.00 -1.26 -4.75 120.64 132.05 1rxs n GLU 1049Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 57.16 56.26 1rxs n GLU 1049Cb 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 31.44 30.16 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 -1.86 3.37 -0.16 -1.84 0.40 0.16 -4.00 117.98 114.04 1rxs s PHE 1050Ca 0.19 -1.65 -0.04 0.00 -0.60 0.00 0.00 56.93 54.83 1rxs s PHE 1050Cb 0.10 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1rxs s PHE 1050CO 0.15 -1.00 -0.02 0.99 0.70 0.00 0.00 175.22 176.03 1rxs s THR 1051N 1.40 4.00 -0.11 0.64 2.01 -1.26 -1.06 115.64 121.25 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 -0.27 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.49 1rxs s THR 1051CO 0.00 0.48 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.37 1rxs s THR 1052N 0.45 1.51 0.16 -0.82 2.01 0.29 -1.77 115.64 117.47 1rxs s THR 1052Ca -0.02 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1rxs s THR 1052Cb -0.14 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1rxs s THR 1052CO 0.02 0.44 -0.15 0.26 -0.69 0.00 0.00 174.62 174.51 1rxs s TRP 1053N 1.05 2.55 0.06 4.92 0.52 0.32 -0.48 118.94 127.88 1rxs s TRP 1053Ca -0.05 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.88 1rxs s TRP 1053Cb -0.15 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1rxs s TRP 1053CO -0.03 0.47 -0.15 0.50 0.02 0.00 0.00 176.95 177.76 1rxs s ARG 1054N -2.59 2.10 0.00 4.98 3.52 -0.45 -0.45 118.95 126.07 1rxs s ARG 1054Ca 0.22 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1rxs s ARG 1054Cb -0.09 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1rxs s ARG 1054CO 0.13 0.53 0.00 0.00 -0.81 0.00 0.00 175.30 175.15 1rxs n ALA 1055N 1.31 0.00 -3.05 6.12 0.00 -0.13 -0.80 120.51 123.95 1rxs n ALA 1055Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1rxs n ALA 1055Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1rxs n ALA 1055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 1056N -0.92 0.22 -0.08 0.00 2.12 0.80 -1.04 118.70 119.81 1rxs s GLU 1056Ca 0.00 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 1rxs s GLU 1056Cb 0.00 -0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.15 1rxs s GLU 1056CO 0.00 0.00 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.55 1rxs s LEU 1057N 0.22 0.69 -1.47 2.70 2.96 0.70 -1.08 118.68 123.41 1rxs s LEU 1057Ca -0.02 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1rxs s LEU 1057Cb -0.04 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.16 1rxs s LEU 1057CO -0.01 -0.19 0.19 0.47 -1.32 0.00 0.00 176.35 175.49 1rxs n ASP 1058N 5.12 -0.13 -0.05 3.68 8.00 -1.26 -0.91 116.55 130.99 1rxs n ASP 1058Ca -0.08 -1.23 -0.01 0.00 0.71 0.00 0.00 54.79 54.19 1rxs n ASP 1058Cb 0.50 -1.92 -0.00 0.00 -0.02 0.00 0.00 41.12 39.68 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 -2.39 0.26 3.50 0.44 0.00 -1.26 -5.00 105.19 100.73 1rxs n GLY 1059Ca -0.29 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.33 2.86 0.34 1.61 1.02 -0.09 -5.08 119.74 119.07 1rxs s LYS 1060Ca 0.00 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 1rxs s LYS 1060Cb 0.00 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 1rxs s LYS 1060CO 0.00 0.53 1.18 -1.25 -0.92 0.00 0.00 175.35 174.89 1rxs s PRO 1061N -0.45 4.35 0.01 -1.68 0.04 -1.26 -0.22 135.00 135.79 1rxs s PRO 1061Ca 0.06 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1rxs s PRO 1061Cb -0.12 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1rxs s PRO 1061CO 0.02 -0.09 -0.02 0.08 0.04 0.00 0.00 177.00 177.03 1rxs s VAL 1062N -1.25 0.09 -0.09 -0.36 1.01 -0.20 -4.41 120.40 115.18 1rxs s VAL 1062Ca 0.50 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1rxs s VAL 1062Cb -0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1rxs s VAL 1062CO 0.43 -0.17 0.13 -0.63 0.00 0.00 0.00 175.10 174.87 1rxs s ILE 1063N -0.53 5.35 -0.15 2.22 -1.09 -0.71 -0.96 121.20 125.33 1rxs s ILE 1063Ca -0.05 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1rxs s ILE 1063Cb -0.04 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 1rxs s ILE 1063CO -0.00 0.55 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.36 1rxs s VAL 1064N -1.09 2.21 -0.07 2.92 1.01 0.41 -0.88 120.40 124.92 1rxs s VAL 1064Ca 0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1rxs s VAL 1064Cb -0.12 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1rxs s VAL 1064CO 0.07 0.54 0.14 0.00 0.00 0.00 0.00 175.10 175.85 1rxs s SER 1066N 1.43 7.12 -0.01 0.00 1.04 -0.73 -3.60 113.70 118.95 1rxs s SER 1066Ca -0.06 1.66 0.22 0.00 0.48 0.00 0.00 55.95 58.25 1rxs s SER 1066Cb -0.12 -2.52 -0.32 0.00 0.10 0.00 0.00 66.02 63.17 1rxs s SER 1066CO -0.06 -0.15 0.52 0.35 0.98 0.00 0.00 173.24 174.89 1rxs n THR 1067N 0.15 0.04 -1.20 2.02 -2.24 -0.58 -4.39 114.28 108.08 1rxs n THR 1067Ca 0.03 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1rxs n THR 1067Cb 0.52 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1rxs n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 1068N 1.26 -2.11 3.69 3.38 0.00 -0.13 -3.18 105.19 108.10 1rxs n GLY 1068Ca -0.04 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.01 4.85 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.47 1rxs s ILE 1069Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1rxs s ILE 1069Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1rxs s ILE 1069CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1rxs n GLY 1070N 3.19 2.21 0.29 6.18 0.00 -1.26 -4.61 105.19 111.19 1rxs n GLY 1070Ca 0.06 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 1rxs n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 1071N 0.00 -0.08 0.30 -0.02 0.00 -1.86 -1.87 103.07 99.54 1rxs h GLY 1071Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.72 1rxs h GLY 1071CO 0.00 -0.21 -0.15 -2.55 0.00 0.00 0.00 176.54 173.63 1rxs h PRO 1072N -0.20 -0.12 -0.08 4.80 0.11 -1.94 0.51 132.00 135.07 1rxs h PRO 1072Ca 0.18 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.11 1rxs h PRO 1072Cb 0.48 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1rxs h PRO 1072CO -0.49 -0.08 -0.76 0.66 -0.21 0.00 0.00 178.00 177.12 1rxs h SER 1073N -0.13 0.53 -0.71 -2.05 4.64 -1.78 -2.30 113.55 111.75 1rxs h SER 1073Ca 0.14 -0.36 0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1rxs h SER 1073Cb 0.34 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 1rxs h SER 1073CO -0.33 1.11 0.29 0.74 -0.87 0.00 0.00 176.83 177.77 1rxs h THR 1074N 0.30 0.73 0.00 2.95 2.02 -0.58 -1.92 112.91 116.40 1rxs h THR 1074Ca -0.04 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 1rxs h THR 1074Cb 1.34 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1rxs h THR 1074CO 0.13 0.09 -0.27 0.77 0.37 0.00 0.00 175.52 176.61 1rxs h SER 1075N 0.47 0.00 -0.04 4.18 4.64 0.54 -1.33 113.55 122.01 1rxs h SER 1075Ca 0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 1rxs h SER 1075Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1rxs h SER 1075CO -0.35 0.27 -0.11 0.40 -0.87 0.00 0.00 176.83 176.16 1rxs h ILE 1076N 0.00 1.45 -0.21 0.95 2.04 -0.99 -2.36 117.51 118.39 1rxs h ILE 1076Ca -0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1rxs h ILE 1076Cb 0.54 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1rxs h ILE 1076CO 0.03 0.41 0.14 0.00 0.00 0.00 0.00 178.15 178.73 1rxs h ALA 1077N 0.43 0.26 -0.08 1.87 0.00 -1.12 -1.52 119.26 119.10 1rxs h ALA 1077Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1077Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rxs h ALA 1077CO 0.02 -0.26 0.04 0.28 0.00 0.00 0.00 179.25 179.33 1rxs h VAL 1078N 0.28 1.08 -0.38 0.00 2.07 -1.34 -0.23 116.25 117.72 1rxs h VAL 1078Ca 0.08 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1rxs h VAL 1078Cb -0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1rxs h VAL 1078CO -0.02 0.07 0.17 -0.08 0.02 0.00 0.00 177.57 177.74 1rxs h GLU 1079N 0.04 0.35 -0.01 1.57 4.57 -1.29 0.16 114.58 119.96 1rxs h GLU 1079Ca 0.03 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 1rxs h GLU 1079Cb 0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1rxs h GLU 1079CO -0.00 0.23 -0.86 0.93 -1.18 0.00 0.00 179.01 178.13 1rxs h GLU 1080N 0.36 0.29 -0.51 1.92 5.08 -1.16 -1.41 114.58 119.15 1rxs h GLU 1080Ca 0.16 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1rxs h GLU 1080Cb 0.09 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1rxs h GLU 1080CO -0.13 0.99 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.79 1rxs h LEU 1081N 0.17 0.83 -0.73 1.33 3.38 -0.75 -2.15 115.31 117.39 1rxs h LEU 1081Ca -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1rxs h LEU 1081Cb 1.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1rxs h LEU 1081CO 0.14 0.90 0.43 0.00 0.09 0.00 0.00 178.44 179.99 1rxs h ALA 1082N 1.19 0.93 -0.93 1.53 0.00 -0.27 -1.34 119.26 120.37 1rxs h ALA 1082Ca 0.15 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1rxs h ALA 1082Cb 0.49 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1rxs h ALA 1082CO 0.02 0.41 0.58 1.96 0.00 0.00 0.00 179.25 182.22 1rxs h GLN 1083N 0.99 0.96 -0.01 0.00 4.20 -1.00 -2.07 115.11 118.19 1rxs h GLN 1083Ca 0.26 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1rxs h GLN 1083Cb -0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1rxs h GLN 1083CO -0.05 0.64 0.00 1.28 -0.67 0.00 0.00 178.83 180.03 1rxs n LEU 1084N -4.62 0.29 0.00 1.46 4.77 -0.82 -4.88 117.00 113.20 1rxs n LEU 1084Ca 0.15 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1rxs n LEU 1084Cb 0.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1rxs n LEU 1084CO 0.29 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1rxs n GLY 1085N 0.99 0.98 3.73 -0.72 0.00 -0.78 -4.83 105.19 104.57 1rxs n GLY 1085Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 3.08 0.00 -0.61 -1.09 -0.57 -4.49 121.20 115.52 1rxs s ILE 1086Ca 0.00 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1rxs s ILE 1086Cb 0.00 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1rxs s ILE 1086CO 0.00 0.10 0.01 0.54 -1.23 0.00 0.00 174.94 174.36 1rxs n ARG 1087N 3.12 6.04 -4.19 2.79 5.12 0.13 -4.25 116.66 125.43 1rxs n ARG 1087Ca 0.09 -0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 1rxs n ARG 1087Cb 0.42 -0.46 -0.17 0.00 -1.16 0.00 0.00 32.46 31.09 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 -0.87 0.67 -0.13 0.55 2.01 -0.70 -1.41 115.64 115.77 1rxs s THR 1088Ca 0.00 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1rxs s THR 1088Cb 0.00 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.84 1rxs s THR 1088CO 0.00 0.26 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.67 1rxs s PHE 1089N 1.01 2.15 -0.25 4.92 0.08 0.79 -0.59 117.98 126.10 1rxs s PHE 1089Ca -0.09 -1.10 -0.02 0.00 0.12 0.00 0.00 56.93 55.84 1rxs s PHE 1089Cb -0.14 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1rxs s PHE 1089CO -0.00 -0.57 -0.05 -0.51 -0.10 0.00 0.00 175.22 173.99 1rxs s LEU 1090N 1.13 3.24 -0.04 -0.37 1.43 0.07 -1.23 118.68 122.91 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 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1rxs s LEU 1090CO -0.05 -0.13 0.57 -0.60 0.23 0.00 0.00 176.35 176.37 1rxs s ARG 1091N 1.33 4.32 -0.15 1.70 3.52 -0.28 -0.16 118.95 129.23 1rxs s ARG 1091Ca 0.00 0.66 0.02 0.00 -0.13 0.00 0.00 55.73 56.28 1rxs s ARG 1091Cb -0.17 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1rxs s ARG 1091CO -0.04 0.30 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.04 1rxs s ILE 1092N 0.09 2.20 0.33 4.11 1.10 -1.21 -1.10 121.20 126.71 1rxs s ILE 1092Ca 0.30 -0.92 0.06 0.00 -0.51 0.00 0.00 60.65 59.57 1rxs s ILE 1092Cb -0.17 -1.90 -0.03 0.00 0.15 0.00 0.00 42.46 40.51 1rxs s ILE 1092CO 0.15 0.54 0.23 -0.83 -2.11 0.00 0.00 174.94 172.92 1rxs s GLY 1093N 0.92 2.27 0.14 1.50 0.00 -0.29 -4.08 107.32 107.79 1rxs s GLY 1093Ca -0.04 -1.88 0.06 0.00 0.00 0.00 0.00 44.72 42.86 1rxs s GLY 1093CO -0.04 -1.53 0.00 -0.51 0.00 0.00 0.00 173.10 171.03 1rxs s THR 1094N -3.49 3.86 0.13 0.90 -4.23 -1.26 -1.93 115.64 109.61 1rxs s THR 1094Ca 0.38 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1rxs s THR 1094Cb 0.03 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.99 1rxs s THR 1094CO 0.23 -0.01 0.36 0.28 -0.54 0.00 0.00 174.62 174.94 1rxs s THR 1095N -1.54 0.08 -0.21 3.99 -1.32 -0.67 -4.90 115.64 111.07 1rxs s THR 1095Ca 0.27 -0.82 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 1rxs s THR 1095Cb -0.10 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.54 1rxs s THR 1095CO 0.18 -0.36 -0.02 -0.83 -2.21 0.00 0.00 174.62 171.39 1rxs s GLY 1096N -2.84 1.67 0.45 6.08 0.00 -1.22 -1.33 107.32 110.12 1rxs s GLY 1096Ca 0.06 -1.06 -0.21 0.00 0.00 0.00 0.00 44.72 43.50 1rxs s GLY 1096CO -0.09 0.31 1.02 0.00 0.00 0.00 0.00 173.10 174.34 1rxs s ALA 1097N 1.20 2.96 -0.25 3.20 0.00 -0.43 -1.91 121.76 126.53 1rxs s ALA 1097Ca 0.03 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1rxs s ALA 1097Cb -0.14 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1rxs s ALA 1097CO 0.00 -0.19 0.86 0.44 0.00 0.00 0.00 175.76 176.87 1rxs n ILE 1098N -0.66 0.59 -4.25 0.00 -5.35 0.56 -0.99 119.36 109.27 1rxs n ILE 1098Ca 0.08 -0.80 -0.34 0.00 -0.27 0.00 0.00 62.75 61.42 1rxs n ILE 1098Cb 0.52 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.68 3.55 0.63 6.28 -1.52 -1.23 -4.80 119.66 121.89 1rxs s GLN 1099Ca 0.04 -0.41 0.40 0.00 -1.95 0.00 0.00 55.36 53.44 1rxs s GLN 1099Cb 0.02 -2.98 2.10 0.00 -0.22 0.00 0.00 33.01 31.93 1rxs s GLN 1099CO 0.03 0.42 2.26 -1.00 -0.25 0.00 0.00 175.29 176.76 1rxs h PRO 1100N 6.14 0.00 0.00 2.91 0.13 -1.96 -2.48 132.00 136.75 1rxs h PRO 1100Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.63 0.01 -0.41 -2.39 -0.23 0.00 0.00 178.00 175.61 1rxs n HIS 1101N -3.16 0.63 -3.11 1.56 1.44 -1.26 -4.80 115.22 106.52 1rxs n HIS 1101Ca -0.02 0.18 -0.40 0.00 -2.01 0.00 0.00 57.72 55.48 1rxs n HIS 1101Cb 0.14 -0.72 -0.05 0.00 0.12 0.00 0.00 29.99 29.47 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 -3.13 5.04 0.17 0.61 1.01 -0.93 -5.06 121.20 118.91 1rxs s ILE 1102Ca 0.08 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.03 1rxs s ILE 1102Cb 0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1rxs s ILE 1102CO 0.68 0.18 0.19 0.20 0.00 0.00 0.00 174.94 176.18 1rxs s ASN 1103N 0.99 5.76 0.09 3.58 0.02 -1.26 -4.88 114.94 119.24 1rxs s ASN 1103Ca 0.32 -0.06 -0.32 0.00 -1.02 0.00 0.00 52.86 51.78 1rxs s ASN 1103Cb -0.16 -1.57 -0.11 0.00 0.02 0.00 0.00 41.25 39.43 1rxs s ASN 1103CO 0.13 0.05 1.84 0.52 0.02 0.00 0.00 177.10 179.65 1rxs n VAL 1104N -0.54 0.40 0.00 1.60 0.31 -1.26 -0.98 118.33 117.86 1rxs n VAL 1104Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1rxs n VAL 1104Cb 0.55 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 4.22 2.66 3.77 2.92 0.00 -0.78 -5.02 105.19 112.96 1rxs n GLY 1105Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1rxs n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 1106N -1.27 4.63 -0.09 1.61 -0.00 -0.15 -4.80 116.67 116.59 1rxs s ASP 1106Ca 0.00 1.85 0.01 0.00 -0.00 0.00 0.00 52.55 54.41 1rxs s ASP 1106Cb 0.00 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.37 1rxs s ASP 1106CO 0.00 -1.95 -0.11 -0.69 -0.00 0.00 0.00 175.17 172.41 1rxs s VAL 1107N -2.81 3.27 -0.18 -1.27 1.01 -0.49 -1.90 120.40 118.03 1rxs s VAL 1107Ca 0.62 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1rxs s VAL 1107Cb -0.18 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1rxs s VAL 1107CO 0.53 0.56 -0.10 -0.76 0.00 0.00 0.00 175.10 175.33 1rxs s LEU 1108N -0.25 2.70 -0.25 3.92 1.43 0.13 -0.64 118.68 125.73 1rxs s LEU 1108Ca 0.02 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1rxs s LEU 1108Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1rxs s LEU 1108CO 0.03 0.06 0.09 -0.69 0.23 0.00 0.00 176.35 176.07 1rxs s VAL 1109N 0.96 4.55 -0.21 -1.59 1.01 -0.03 -1.07 120.40 124.03 1rxs s VAL 1109Ca -0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1rxs s VAL 1109Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1rxs s VAL 1109CO -0.01 0.34 0.59 -0.89 0.00 0.00 0.00 175.10 175.13 1rxs s THR 1110N 1.47 5.04 0.02 3.92 2.01 -1.03 -1.93 115.64 125.15 1rxs s THR 1110Ca 0.06 1.08 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 1rxs s THR 1110Cb -0.15 -3.90 -0.29 0.00 0.01 0.00 0.00 72.50 68.17 1rxs s THR 1110CO 0.05 0.12 0.94 0.71 -0.69 0.00 0.00 174.62 175.74 1rxs h THR 1111N 5.22 1.24 -2.45 -0.82 1.35 -1.45 -3.41 112.91 112.60 1rxs h THR 1111Ca -0.31 -2.84 0.08 0.00 -0.55 0.00 0.00 66.41 62.80 1rxs h THR 1111Cb 1.14 2.84 -0.14 0.00 -1.73 0.00 0.00 68.15 70.26 1rxs h THR 1111CO 0.76 0.84 0.43 0.00 -0.25 0.00 0.00 175.52 177.30 1rxs s ALA 1112N -2.62 -1.76 0.05 6.62 0.00 -1.26 -0.63 121.76 122.15 1rxs s ALA 1112Ca -0.08 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.83 1rxs s ALA 1112Cb 0.06 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1rxs s ALA 1112CO 0.87 -0.72 -0.25 -1.12 0.00 0.00 0.00 175.76 174.54 1rxs s SER 1113N -2.56 3.30 -0.03 0.00 0.01 -0.21 -2.02 113.70 112.20 1rxs s SER 1113Ca 0.04 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1rxs s SER 1113Cb -0.01 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 1rxs s SER 1113CO -0.09 0.26 1.49 -0.69 0.41 0.00 0.00 173.24 174.61 1rxs s VAL 1114N -0.84 3.65 -1.28 3.43 1.01 0.16 -4.36 120.40 122.17 1rxs s VAL 1114Ca 0.12 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 1rxs s VAL 1114Cb -0.10 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.76 1rxs s VAL 1114CO 0.03 -0.03 1.66 -0.13 0.00 0.00 0.00 175.10 176.62 1rxs s ARG 1115N 3.01 4.02 -0.40 2.72 0.52 -1.26 -1.33 118.95 126.23 1rxs s ARG 1115Ca 0.67 -2.16 0.04 0.00 -0.52 0.00 0.00 55.73 53.76 1rxs s ARG 1115Cb -0.32 -5.41 0.61 0.00 0.52 0.00 0.00 34.95 30.34 1rxs s ARG 1115CO 0.27 -2.13 1.82 1.28 0.02 0.00 0.00 175.30 176.56 1rxs n LEU 1116N 7.67 6.35 -4.72 2.53 4.77 -0.23 -4.93 117.00 128.43 1rxs n LEU 1116Ca 0.46 -3.38 -0.29 0.00 -0.03 0.00 0.00 56.01 52.77 1rxs n LEU 1116Cb 0.45 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1rxs n LEU 1116CO 0.73 0.99 -0.22 1.51 -1.33 0.00 0.00 177.39 179.07 1rxs s ASP 1117N -1.06 4.15 -0.21 -1.43 -4.77 -1.20 -1.77 116.67 110.38 1rxs s ASP 1117Ca 0.51 -1.38 0.10 0.00 -3.30 0.00 0.00 52.55 48.49 1rxs s ASP 1117Cb 0.43 -0.07 -0.20 0.00 -1.09 0.00 0.00 42.92 41.99 1rxs s ASP 1117CO 0.10 -0.65 -0.05 0.61 0.70 0.00 0.00 175.17 175.88 1rxs n GLY 1118N -1.19 -0.67 0.29 2.12 0.00 -1.26 -4.65 105.19 99.82 1rxs n GLY 1118Ca -0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 0.54 0.81 -0.92 4.61 0.00 -1.98 -2.87 119.26 119.45 1rxs h ALA 1119Ca -0.52 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.21 1rxs h ALA 1119Cb 2.02 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.54 1rxs h ALA 1119CO -0.02 0.66 0.59 0.66 0.00 0.00 0.00 179.25 181.14 1rxs h SER 1120N 0.87 0.64 0.31 0.00 4.64 -1.85 0.45 113.55 118.61 1rxs h SER 1120Ca 0.14 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1rxs h SER 1120Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1rxs h SER 1120CO 0.05 0.29 0.00 -0.07 -0.87 0.00 0.00 176.83 176.23 1rxs h LEU 1121N 0.66 0.00 -0.01 5.97 3.38 -1.61 0.29 115.31 123.98 1rxs h LEU 1121Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1rxs h LEU 1121Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1rxs h LEU 1121CO -0.23 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 179.70 1rxs n HIS 1122N -2.76 0.00 -0.02 1.13 8.25 0.16 -4.05 115.22 117.93 1rxs n HIS 1122Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1rxs n HIS 1122Cb 0.13 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 1rxs n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 1123N -1.26 0.00 -3.75 4.41 3.72 0.01 -5.08 117.46 115.51 1rxs n PHE 1123Ca 0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 1rxs n PHE 1123Cb 0.24 -0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.08 -0.83 0.99 4.37 0.00 -0.69 -5.01 121.76 118.51 1rxs s ALA 1124Ca -0.04 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 1rxs s ALA 1124Cb 0.01 0.03 0.18 0.00 0.00 0.00 0.00 23.12 23.35 1rxs s ALA 1124CO 0.10 -0.26 1.08 -1.25 0.00 0.00 0.00 175.76 175.43 1rxs s PRO 1125N -1.22 0.48 0.46 0.00 0.04 -1.26 -3.87 135.00 129.62 1rxs s PRO 1125Ca -0.13 0.82 0.13 0.00 0.04 0.00 0.00 61.00 61.86 1rxs s PRO 1125Cb -0.05 -1.72 1.07 0.00 0.04 0.00 0.00 34.50 33.84 1rxs s PRO 1125CO 0.04 -2.78 2.05 1.25 0.04 0.00 0.00 177.00 177.61 1rxs h LEU 1126N -1.94 0.27 -2.05 -3.56 5.85 -1.94 -1.30 115.31 110.64 1rxs h LEU 1126Ca -0.53 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1rxs h LEU 1126Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1rxs h LEU 1126CO 0.53 0.18 0.00 1.05 -0.34 0.00 0.00 178.44 179.86 1rxs h GLU 1127N 0.31 0.00 -6.53 1.25 9.09 -2.03 -3.43 114.58 113.25 1rxs h GLU 1127Ca 0.16 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.04 1rxs h GLU 1127Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1rxs h GLU 1127CO -0.04 0.00 0.54 0.12 0.05 0.00 0.00 179.01 179.69 1rxs s PHE 1128N -3.84 3.47 -0.02 2.06 5.36 -0.49 -4.97 117.98 119.54 1rxs s PHE 1128Ca -0.01 1.37 -0.30 0.00 -0.96 0.00 0.00 56.93 57.02 1rxs s PHE 1128Cb 0.10 -3.39 -0.05 0.00 -0.34 0.00 0.00 43.02 39.35 1rxs s PHE 1128CO 0.46 -1.14 1.32 -1.25 -1.46 0.00 0.00 175.22 173.15 1rxs s PRO 1129N 0.71 4.31 -0.92 10.12 0.04 -1.26 -4.91 135.00 143.09 1rxs s PRO 1129Ca 0.57 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 1rxs s PRO 1129Cb -0.30 -3.55 -0.11 0.00 0.04 0.00 0.00 34.50 30.58 1rxs s PRO 1129CO 0.31 -0.51 2.02 0.00 0.04 0.00 0.00 177.00 178.85 1rxs n ALA 1130N 5.22 3.93 -2.83 8.56 0.00 -1.26 -4.78 120.51 129.36 1rxs n ALA 1130Ca 0.12 -3.29 -0.37 0.00 0.00 0.00 0.00 53.44 49.91 1rxs n ALA 1130Cb 0.45 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.28 1rxs n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 1131N 4.47 5.46 0.55 0.00 0.11 -1.26 -1.04 120.40 128.68 1rxs s VAL 1131Ca 0.54 0.25 -0.17 0.00 -2.93 0.00 0.00 61.98 59.67 1rxs s VAL 1131Cb 0.14 -3.43 -0.06 0.00 -1.53 0.00 0.00 36.38 31.50 1rxs s VAL 1131CO 0.06 0.58 1.03 0.00 -3.33 0.00 0.00 175.10 173.45 1rxs s ALA 1132N -0.78 2.87 0.26 1.54 0.00 0.20 -4.67 121.76 121.17 1rxs s ALA 1132Ca 0.14 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1rxs s ALA 1132Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1rxs s ALA 1132CO 0.04 -0.52 1.49 0.34 0.00 0.00 0.00 175.76 177.10 1rxs s ASP 1133N -2.70 6.57 0.17 0.00 -1.08 0.01 -4.93 116.67 114.70 1rxs s ASP 1133Ca 0.63 2.74 -0.14 0.00 -0.52 0.00 0.00 52.55 55.26 1rxs s ASP 1133Cb -0.14 -2.62 0.06 0.00 -1.46 0.00 0.00 42.92 38.75 1rxs s ASP 1133CO 0.31 -0.77 1.80 0.15 0.52 0.00 0.00 175.17 177.19 1rxs h PHE 1134N 5.08 0.69 -0.40 -5.34 3.04 -1.95 -1.00 116.94 117.06 1rxs h PHE 1134Ca -0.46 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.47 1rxs h PHE 1134Cb 1.22 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 1rxs h PHE 1134CO 0.60 0.47 0.16 0.93 -2.02 0.00 0.00 178.31 178.45 1rxs h GLU 1135N 0.70 0.59 -0.12 1.11 5.08 -1.96 -0.56 114.58 119.42 1rxs h GLU 1135Ca 0.19 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1rxs h GLU 1135Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1rxs h GLU 1135CO -0.04 0.55 0.02 0.00 -1.00 0.00 0.00 179.01 178.55 1rxs h THR 1137N 0.06 1.01 0.16 0.00 2.02 -1.08 0.05 112.91 115.13 1rxs h THR 1137Ca 0.05 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1rxs h THR 1137Cb 0.05 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1rxs h THR 1137CO -0.08 0.08 -0.22 0.74 0.37 0.00 0.00 175.52 176.42 1rxs h THR 1138N 0.44 0.52 -0.86 3.16 2.02 -0.73 0.12 112.91 117.58 1rxs h THR 1138Ca 0.16 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.49 1rxs h THR 1138Cb 0.04 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 1rxs h THR 1138CO -0.10 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.24 1rxs h ALA 1139N 0.32 1.30 -0.15 6.16 0.00 -0.56 0.15 119.26 126.48 1rxs h ALA 1139Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1rxs h ALA 1139Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rxs h ALA 1139CO -0.09 -0.09 -0.06 -0.07 0.00 0.00 0.00 179.25 178.93 1rxs h LEU 1140N 0.62 0.31 -0.61 0.00 3.38 -0.37 -0.59 115.31 118.06 1rxs h LEU 1140Ca 0.47 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rxs h LEU 1140Cb 0.67 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1rxs h LEU 1140CO -0.37 0.65 0.37 0.58 0.09 0.00 0.00 178.44 179.76 1rxs h VAL 1141N -0.03 1.18 -0.45 1.22 2.07 -0.25 -1.42 116.25 118.56 1rxs h VAL 1141Ca 0.03 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1rxs h VAL 1141Cb 0.53 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1rxs h VAL 1141CO 0.02 0.18 -0.18 -0.33 0.02 0.00 0.00 177.57 177.28 1rxs h GLU 1142N 0.83 0.88 -0.66 1.57 5.08 -0.68 -1.77 114.58 119.84 1rxs h GLU 1142Ca 0.22 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1rxs h GLU 1142Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1rxs h GLU 1142CO -0.04 0.99 0.25 0.00 -1.00 0.00 0.00 179.01 179.21 1rxs h ALA 1143N 1.02 0.86 -0.80 3.43 0.00 -0.83 -0.88 119.26 122.06 1rxs h ALA 1143Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1143Cb 0.71 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1rxs h ALA 1143CO 0.05 0.49 0.38 0.00 0.00 0.00 0.00 179.25 180.17 1rxs h ALA 1144N 1.11 1.17 -0.72 0.00 0.00 -1.06 -2.19 119.26 117.56 1rxs h ALA 1144Ca 0.22 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1144Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rxs h ALA 1144CO -0.02 0.63 0.21 -0.22 0.00 0.00 0.00 179.25 179.85 1rxs h LYS 1145N 1.13 1.14 0.00 0.00 1.63 -0.82 -2.03 116.57 117.62 1rxs h LYS 1145Ca 0.27 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1rxs h LYS 1145Cb 0.11 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1rxs h LYS 1145CO -0.03 0.98 -0.29 0.66 -3.45 0.00 0.00 179.45 177.31 1rxs h SER 1146N 1.08 0.00 -0.07 4.20 4.64 -0.56 -2.54 113.55 120.30 1rxs h SER 1146Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1rxs h SER 1146Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1rxs h SER 1146CO -0.00 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 178.55 1rxs n ILE 1147N -3.56 0.08 -1.31 0.95 -6.64 -0.99 -5.01 119.36 102.89 1rxs n ILE 1147Ca -0.01 -0.54 -0.04 0.00 -1.77 0.00 0.00 62.75 60.39 1rxs n ILE 1147Cb 0.43 1.30 -0.01 0.00 -1.44 0.00 0.00 39.64 39.92 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 1.03 0.60 3.78 3.28 0.00 -0.80 -5.03 105.19 108.05 1rxs n GLY 1148Ca 0.11 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.16 3.09 -0.12 4.61 0.00 -1.00 -5.00 121.76 121.19 1rxs s ALA 1149Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1rxs s ALA 1149Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1rxs s ALA 1149CO 0.00 -0.22 1.25 0.95 0.00 0.00 0.00 175.76 177.74 1rxs s THR 1150N -1.64 4.24 -0.02 0.00 -4.23 -1.26 -4.74 115.64 107.99 1rxs s THR 1150Ca 0.58 1.53 0.07 0.00 -1.18 0.00 0.00 61.69 62.68 1rxs s THR 1150Cb -0.22 -3.99 -0.02 0.00 1.34 0.00 0.00 72.50 69.61 1rxs s THR 1150CO 0.28 -0.08 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.17 1rxs s THR 1151N 2.98 1.72 -0.07 3.99 2.01 -1.26 -1.40 115.64 123.60 1rxs s THR 1151Ca 0.56 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1rxs s THR 1151Cb -0.23 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1rxs s THR 1151CO 0.18 0.48 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.38 1rxs s HIS 1152N -0.51 2.55 -0.17 4.92 3.76 0.18 -4.96 115.29 121.06 1rxs s HIS 1152Ca 0.08 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 1rxs s HIS 1152Cb -0.08 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1rxs s HIS 1152CO -0.01 -0.17 -0.16 0.08 -0.85 0.00 0.00 174.74 173.63 1rxs s VAL 1153N -0.13 2.49 -2.78 -0.90 1.01 -1.26 -0.85 120.40 117.97 1rxs s VAL 1153Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1rxs s VAL 1153Cb -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1rxs s VAL 1153CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxs n GLY 1154N 4.29 -0.55 3.80 4.51 0.00 -0.81 -4.96 105.19 111.47 1rxs n GLY 1154Ca -0.20 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.24 4.81 -0.05 1.61 1.01 -1.26 -1.06 120.40 122.22 1rxs s VAL 1155Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.21 1rxs s VAL 1155Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1rxs s VAL 1155CO 0.00 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 1rxs s THR 1156N -0.92 2.46 -0.23 3.92 2.01 -0.86 -0.58 115.64 121.44 1rxs s THR 1156Ca 0.29 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 1rxs s THR 1156Cb -0.19 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1rxs s THR 1156CO 0.18 0.58 0.60 0.00 -0.69 0.00 0.00 174.62 175.28 1rxs s ALA 1157N -0.49 3.58 -0.33 7.40 0.00 0.07 0.35 121.76 132.34 1rxs s ALA 1157Ca 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 1rxs s ALA 1157Cb -0.11 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1rxs s ALA 1157CO 0.01 -0.67 0.09 0.45 0.00 0.00 0.00 175.76 175.64 1rxs s SER 1158N 1.36 5.25 -0.03 0.00 0.15 -0.44 -2.03 113.70 117.95 1rxs s SER 1158Ca 0.26 -1.17 0.04 0.00 0.70 0.00 0.00 55.95 55.77 1rxs s SER 1158Cb -0.16 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1rxs s SER 1158CO 0.09 -0.32 -0.12 -0.55 1.20 0.00 0.00 173.24 173.54 1rxs s SER 1159N 1.39 4.21 0.00 5.45 0.15 0.09 -1.07 113.70 123.92 1rxs s SER 1159Ca -0.02 -0.19 0.21 0.00 0.70 0.00 0.00 55.95 56.64 1rxs s SER 1159Cb -0.20 -0.91 0.92 0.00 -1.71 0.00 0.00 66.02 64.13 1rxs s SER 1159CO 0.02 0.32 1.66 0.47 1.20 0.00 0.00 173.24 176.91 1rxs n ASP 1160N 2.04 0.00 -4.27 5.45 10.43 -0.73 -4.36 116.55 125.11 1rxs n ASP 1160Ca -0.17 0.37 -0.20 0.00 2.57 0.00 0.00 54.79 57.37 1rxs n ASP 1160Cb 0.52 -0.45 -0.11 0.00 1.84 0.00 0.00 41.12 42.92 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 -2.89 1.52 0.04 -3.53 -4.23 -1.26 -5.00 115.64 100.28 1rxs s THR 1161Ca 0.12 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1rxs s THR 1161Cb 0.14 -1.61 -0.22 0.00 1.34 0.00 0.00 72.50 72.15 1rxs s THR 1161CO 0.36 -0.33 0.99 0.15 -0.54 0.00 0.00 174.62 175.24 1rxs h PHE 1162N 3.54 0.00 0.00 3.99 3.57 -1.97 -3.37 116.94 122.70 1rxs h PHE 1162Ca -0.41 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1rxs h PHE 1162Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1rxs h PHE 1162CO 0.66 1.00 0.00 0.66 -2.23 0.00 0.00 178.31 178.40 1rxs n TYR 1163N -3.21 0.00 -0.25 0.41 4.02 -1.26 -4.37 117.16 112.50 1rxs n TYR 1163Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.78 1rxs n TYR 1163Cb 0.99 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 40.47 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 1.08 0.00 -0.72 0.13 -1.87 0.09 132.00 130.70 1rxs h PRO 1164Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1rxs h PRO 1164Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 30.92 1rxs h PRO 1164CO 0.00 0.81 0.00 0.78 -0.23 0.00 0.00 178.00 179.36 1rxs h GLY 1165N 1.12 0.00 -2.28 1.56 0.00 -1.87 0.15 103.07 101.75 1rxs h GLY 1165Ca 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 1rxs h GLY 1165CO -0.04 0.00 0.04 -1.06 0.00 0.00 0.00 176.54 175.49 1rxs n GLN 1166N -2.36 3.11 -4.11 4.80 6.02 -0.84 -4.92 117.38 119.07 1rxs n GLN 1166Ca 0.02 -2.98 -0.33 0.00 -0.01 0.00 0.00 57.00 53.70 1rxs n GLN 1166Cb 0.25 -1.96 -0.04 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.43 -1.43 -3.28 -1.09 2.13 0.51 -4.93 120.64 112.11 1rxs n GLU 1167Ca 0.28 0.20 -0.38 0.00 0.66 0.00 0.00 57.16 57.92 1rxs n GLU 1167Cb 1.05 -3.64 -0.06 0.00 0.27 0.00 0.00 31.44 29.06 1rxs n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 1168N -7.05 4.28 -0.01 5.31 0.52 -0.04 -4.97 118.95 117.00 1rxs s ARG 1168Ca 0.16 0.57 0.17 0.00 -0.52 0.00 0.00 55.73 56.11 1rxs s ARG 1168Cb -0.08 -3.38 -0.20 0.00 0.52 0.00 0.00 34.95 31.81 1rxs s ARG 1168CO 0.95 0.29 0.64 0.66 0.02 0.00 0.00 175.30 177.87 1rxs n TYR 1169N 3.11 0.00 -2.60 -0.53 4.01 -1.26 -4.41 117.16 115.48 1rxs n TYR 1169Ca -0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 1rxs n TYR 1169Cb 0.51 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.57 5.18 -3.13 7.72 4.64 -1.26 -4.13 116.55 123.99 1rxs n ASP 1170Ca 0.02 -3.06 -0.19 0.00 -1.38 0.00 0.00 54.79 50.18 1rxs n ASP 1170Cb 0.31 -1.51 -0.07 0.00 -1.04 0.00 0.00 41.12 38.81 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 3.80 0.00 -0.20 5.18 -2.24 -1.26 -5.01 114.28 114.55 1rxs n THR 1171Ca 0.38 -2.13 -0.06 0.00 -2.27 0.00 0.00 64.05 59.98 1rxs n THR 1171Cb 0.39 0.98 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.85 0.68 0.00 4.78 5.03 -1.99 -3.08 116.97 124.24 1rxs h TYR 1172Ca -0.23 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 60.92 1rxs h TYR 1172Cb 1.06 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 1rxs h TYR 1172CO 0.00 0.41 -1.55 -1.13 -1.32 0.00 0.00 178.16 174.57 1rxs n SER 1173N -4.73 0.74 -0.41 -2.11 3.41 -1.26 -4.97 113.62 104.30 1rxs n SER 1173Ca 0.04 0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.93 1rxs n SER 1173Cb 0.05 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1rxs n SER 1173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxs n GLY 1174N 1.43 0.77 3.11 5.00 0.00 -1.17 -4.99 105.19 109.34 1rxs n GLY 1174Ca -0.12 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.04 0.68 -0.06 1.61 1.70 -1.26 -4.91 118.95 114.67 1rxs s ARG 1175Ca 0.00 -1.10 0.05 0.00 -0.47 0.00 0.00 55.73 54.20 1rxs s ARG 1175Cb 0.00 -0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.23 1rxs s ARG 1175CO 0.00 -0.01 -0.21 0.08 -1.08 0.00 0.00 175.30 174.07 1rxs s VAL 1176N -2.88 1.79 0.29 4.99 1.01 -1.26 -4.92 120.40 119.42 1rxs s VAL 1176Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1rxs s VAL 1176Cb 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 36.38 34.71 1rxs s VAL 1176CO -0.04 0.50 1.00 0.55 0.00 0.00 0.00 175.10 177.11 1rxs n VAL 1177N 3.20 2.00 -0.32 2.92 3.14 -1.26 -4.63 118.33 123.38 1rxs n VAL 1177Ca -0.18 -0.50 0.08 0.00 -2.96 0.00 0.00 64.34 60.78 1rxs n VAL 1177Cb 0.52 -0.98 0.19 0.00 -1.06 0.00 0.00 33.84 32.51 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 1.96 0.02 -0.92 1.45 2.43 -1.99 0.22 114.38 117.55 1rxs h ARG 1178Ca -0.39 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1rxs h ARG 1178Cb 1.34 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.82 1rxs h ARG 1178CO 0.60 0.02 0.60 1.25 -1.51 0.00 0.00 179.97 180.93 1rxs h HIS 1179N 0.02 0.63 -0.02 2.20 2.76 -2.03 -2.54 115.15 116.17 1rxs h HIS 1179Ca 0.49 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1rxs h HIS 1179Cb 0.87 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1rxs h HIS 1179CO -0.59 0.16 -0.47 1.19 -1.30 0.00 0.00 177.93 176.93 1rxs n PHE 1180N -4.55 0.00 -2.01 5.26 3.01 0.73 -4.79 117.46 115.12 1rxs n PHE 1180Ca 0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.24 1rxs n PHE 1180Cb 0.67 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.11 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 -2.48 4.22 -0.02 -1.08 2.20 -0.96 -1.29 119.74 120.33 1rxs s LYS 1181Ca 0.19 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 1rxs s LYS 1181Cb 0.18 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1rxs s LYS 1181CO 0.57 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1rxs n GLY 1182N 3.92 0.39 0.24 5.54 0.00 -1.26 -4.93 105.19 109.09 1rxs n GLY 1182Ca 0.15 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 0.97 -0.69 1.61 4.64 -1.50 -3.07 113.55 115.51 1rxs h SER 1183Ca -0.00 -0.54 0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1rxs h SER 1183Cb 0.25 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1rxs h SER 1183CO 0.01 1.35 0.45 -0.03 -0.87 0.00 0.00 176.83 177.73 1rxs h MET 1184N 0.64 0.87 -0.58 4.77 -1.53 -1.92 -0.95 114.93 116.23 1rxs h MET 1184Ca -0.00 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1rxs h MET 1184Cb 1.22 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 32.04 1rxs h MET 1184CO 0.13 0.57 0.36 1.49 0.14 0.00 0.00 176.91 179.61 1rxs h GLU 1185N 0.89 0.77 -0.03 0.39 4.81 -1.96 0.28 114.58 119.73 1rxs h GLU 1185Ca 0.26 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1rxs h GLU 1185Cb -0.05 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1rxs h GLU 1185CO -0.08 0.52 -0.01 0.93 -0.73 0.00 0.00 179.01 179.64 1rxs h GLU 1186N 0.79 0.07 -1.01 1.92 4.39 -1.12 -1.72 114.58 117.89 1rxs h GLU 1186Ca 0.21 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1rxs h GLU 1186Cb -0.06 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 1rxs h GLU 1186CO -0.04 0.46 0.66 -1.49 -1.16 0.00 0.00 179.01 177.43 1rxs h TRP 1187N -0.33 1.23 -0.14 4.33 -0.00 -0.96 -1.71 115.95 118.38 1rxs h TRP 1187Ca 0.01 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1rxs h TRP 1187Cb 0.44 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.16 29.14 1rxs h TRP 1187CO 0.07 0.69 -0.14 0.37 -0.00 0.00 0.00 178.44 179.43 1rxs h GLN 1188N 1.26 -0.17 0.00 0.49 4.15 -0.82 -1.21 115.11 118.82 1rxs h GLN 1188Ca 0.41 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.79 1rxs h GLN 1188Cb 0.04 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1rxs h GLN 1188CO -0.14 -0.11 -0.23 0.00 -1.93 0.00 0.00 178.83 176.42 1rxs h ALA 1189N 0.90 1.51 -0.03 3.38 0.00 -0.82 -2.09 119.26 122.10 1rxs h ALA 1189Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rxs h ALA 1189Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rxs h ALA 1189CO -0.24 0.29 0.00 -1.33 0.00 0.00 0.00 179.25 177.97 1rxs n MET 1190N -4.10 1.15 -0.59 0.00 2.81 -0.69 -4.89 117.12 110.82 1rxs n MET 1190Ca -0.02 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1rxs n MET 1190Cb 0.30 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.92 0.77 3.75 3.03 0.00 -0.79 -5.02 105.19 107.85 1rxs n GLY 1191Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rxs n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 1192N -2.79 2.19 -0.01 1.61 1.01 -0.52 -4.66 120.40 117.24 1rxs s VAL 1192Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1rxs s VAL 1192Cb 0.00 -3.10 -0.34 0.00 0.00 0.00 0.00 36.38 32.94 1rxs s VAL 1192CO 0.00 0.03 0.91 0.24 0.00 0.00 0.00 175.10 176.28 1rxs h MET 1193N 4.73 0.45 -2.70 2.72 0.00 -1.17 -3.42 114.93 115.56 1rxs h MET 1193Ca -0.47 -0.77 0.12 0.00 0.00 0.00 0.00 59.70 58.58 1rxs h MET 1193Cb 1.22 0.29 -0.06 0.00 0.00 0.00 0.00 31.60 33.05 1rxs h MET 1193CO 0.78 1.37 0.35 0.54 0.00 0.00 0.00 176.91 179.95 1rxs s ASN 1194N -7.37 -0.21 -0.08 1.22 4.22 -1.26 -0.32 114.94 111.14 1rxs s ASN 1194Ca -0.12 -0.54 0.02 0.00 -2.14 0.00 0.00 52.86 50.09 1rxs s ASN 1194Cb 0.03 0.62 -0.02 0.00 1.28 0.00 0.00 41.25 43.16 1rxs s ASN 1194CO 0.90 -1.16 -0.13 -0.31 -2.04 0.00 0.00 177.10 174.37 1rxs s TYR 1195N -3.56 2.77 0.04 1.54 4.12 -0.80 -0.75 117.35 120.70 1rxs s TYR 1195Ca 0.12 -0.27 0.00 0.00 0.02 0.00 0.00 57.07 56.94 1rxs s TYR 1195Cb -0.04 -1.71 -0.00 0.00 -1.52 0.00 0.00 41.96 38.69 1rxs s TYR 1195CO 0.05 0.09 0.05 -0.85 0.02 0.00 0.00 175.55 174.91 1rxs n GLU 1196N 2.67 0.07 0.00 -0.62 -0.00 -0.86 -3.44 120.64 118.46 1rxs n GLU 1196Ca -0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 57.16 56.63 1rxs n GLU 1196Cb 0.52 0.32 0.00 0.00 -0.00 0.00 0.00 31.44 32.29 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 -0.07 2.47 0.00 3.44 2.81 -1.26 -0.73 117.12 123.77 1rxs n MET 1197Ca 0.00 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 1rxs n MET 1197Cb 0.07 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.41 3.63 0.08 0.03 4.71 -1.26 -3.56 120.64 123.85 1rxs n GLU 1198Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1rxs n GLU 1198Cb 0.28 -0.69 0.19 0.00 -1.01 0.00 0.00 31.44 30.21 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 0.29 -0.31 1.62 4.64 -1.93 -1.21 113.55 116.65 1rxs h SER 1199Ca 0.00 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1rxs h SER 1199Cb 0.01 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1rxs h SER 1199CO 0.00 0.70 0.18 0.00 -0.87 0.00 0.00 176.83 176.84 1rxs h ALA 1200N 1.31 0.38 0.15 5.18 0.00 -1.87 0.35 119.26 124.77 1rxs h ALA 1200Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1200Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rxs h ALA 1200CO 0.07 -0.19 -0.07 1.15 0.00 0.00 0.00 179.25 180.21 1rxs h THR 1201N 0.37 0.96 0.06 0.00 2.02 -1.84 -1.92 112.91 112.55 1rxs h THR 1201Ca 0.12 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.78 1rxs h THR 1201Cb -0.00 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1rxs h THR 1201CO -0.05 0.13 -0.19 0.25 0.37 0.00 0.00 175.52 176.03 1rxs h LEU 1202N -0.47 -0.53 -0.64 2.58 5.85 -0.98 -1.37 115.31 119.75 1rxs h LEU 1202Ca -0.02 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1rxs h LEU 1202Cb 0.37 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1rxs h LEU 1202CO 0.03 -0.26 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.51 1rxs h LEU 1203N -0.33 0.78 -0.13 2.25 3.38 -0.34 -1.67 115.31 119.25 1rxs h LEU 1203Ca 0.04 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1rxs h LEU 1203Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rxs h LEU 1203CO -0.14 1.02 0.00 0.74 0.09 0.00 0.00 178.44 180.16 1rxs h THR 1204N 0.65 1.25 -0.16 0.22 2.02 -1.21 -0.36 112.91 115.31 1rxs h THR 1204Ca 0.08 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 1rxs h THR 1204Cb 0.81 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1rxs h THR 1204CO 0.07 0.23 -0.35 0.00 0.37 0.00 0.00 175.52 175.84 1rxs h MET 1205N -0.03 0.34 -0.01 6.66 -0.00 -1.17 -1.64 114.93 119.08 1rxs h MET 1205Ca 0.04 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.70 59.55 1rxs h MET 1205Cb 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 1rxs h MET 1205CO 0.01 0.65 -0.13 0.00 -0.00 0.00 0.00 176.91 177.44 1rxs h ALA 1207N 0.27 1.77 -0.20 0.00 0.00 -0.96 -1.21 119.26 118.93 1rxs h ALA 1207Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 1207Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rxs h ALA 1207CO 0.03 -0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1rxs n SER 1208N -4.02 2.89 -0.09 0.00 3.41 -0.63 -4.30 113.62 110.89 1rxs n SER 1208Ca -0.01 -1.92 0.02 0.00 -0.26 0.00 0.00 58.87 56.71 1rxs n SER 1208Cb 0.19 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.17 1.38 -1.24 4.33 6.02 -0.70 -5.01 117.38 123.34 1rxs n GLN 1209Ca 0.17 -1.37 -0.08 0.00 -0.01 0.00 0.00 57.00 55.71 1rxs n GLN 1209Cb 0.55 -0.89 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.48 1.00 3.83 1.08 0.00 -1.02 -5.02 105.19 104.59 1rxs n GLY 1210Ca 0.03 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.85 4.15 -0.09 0.99 1.43 -0.54 -5.05 118.68 117.72 1rxs s LEU 1211Ca 0.00 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 1rxs s LEU 1211Cb 0.00 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1rxs s LEU 1211CO 0.00 0.34 0.49 -0.13 0.23 0.00 0.00 176.35 177.27 1rxs s ARG 1212N -1.40 4.30 0.02 1.70 0.52 -0.50 -3.83 118.95 119.76 1rxs s ARG 1212Ca 0.20 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 1rxs s ARG 1212Cb -0.12 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1rxs s ARG 1212CO 0.10 0.23 -0.03 0.00 0.02 0.00 0.00 175.30 175.61 1rxs s ALA 1213N 0.38 0.18 0.16 2.13 0.00 -1.26 -0.15 121.76 123.21 1rxs s ALA 1213Ca 0.26 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1rxs s ALA 1213Cb -0.16 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1rxs s ALA 1213CO 0.11 -0.08 0.01 0.20 0.00 0.00 0.00 175.76 176.01 1rxs s GLY 1214N -1.01 1.16 -0.02 0.00 0.00 -0.37 -0.81 107.32 106.27 1rxs s GLY 1214Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1rxs s GLY 1214CO -0.00 -1.49 0.01 1.06 0.00 0.00 0.00 173.10 172.68 1rxs s MET 1215N -3.94 0.08 -0.00 2.90 -1.94 -1.26 -1.13 119.30 114.01 1rxs s MET 1215Ca 0.24 0.11 -0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1rxs s MET 1215Cb 0.06 -0.28 -0.00 0.00 2.01 0.00 0.00 34.83 36.62 1rxs s MET 1215CO 0.03 -0.12 0.01 0.54 -0.01 0.00 0.00 175.02 175.48 1rxs s VAL 1216N 0.82 0.02 -0.02 -6.03 0.11 -0.26 -2.47 120.40 112.58 1rxs s VAL 1216Ca -0.07 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1rxs s VAL 1216Cb -0.10 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1rxs s VAL 1216CO -0.02 -0.10 0.22 0.00 -3.33 0.00 0.00 175.10 171.86 1rxs s ALA 1217N -0.30 -0.53 -0.04 1.54 0.00 -0.23 -1.13 121.76 121.06 1rxs s ALA 1217Ca -0.03 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1rxs s ALA 1217Cb -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1rxs s ALA 1217CO -0.00 -0.21 0.35 0.20 0.00 0.00 0.00 175.76 176.10 1rxs s GLY 1218N -1.09 2.39 -0.22 0.00 0.00 -0.81 0.21 107.32 107.79 1rxs s GLY 1218Ca -0.12 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1rxs s GLY 1218CO 0.02 0.11 1.03 0.14 0.00 0.00 0.00 173.10 174.40 1rxs s VAL 1219N -0.82 4.70 -0.05 1.40 1.01 -0.80 -1.66 120.40 124.17 1rxs s VAL 1219Ca 0.21 2.01 0.15 0.00 0.00 0.00 0.00 61.98 64.36 1rxs s VAL 1219Cb -0.15 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1rxs s VAL 1219CO 0.10 -0.16 0.28 2.30 0.00 0.00 0.00 175.10 177.63 1rxs n ILE 1220N 5.24 0.20 -3.78 2.22 -5.35 -0.44 -1.86 119.36 115.59 1rxs n ILE 1220Ca 0.11 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.07 1rxs n ILE 1220Cb 0.46 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.27 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 -2.93 0.08 -0.26 7.28 0.11 -1.24 -4.95 120.40 118.49 1rxs s VAL 1221Ca -0.06 -0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1rxs s VAL 1221Cb 0.09 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1rxs s VAL 1221CO 0.63 -0.35 -0.01 0.21 -3.33 0.00 0.00 175.10 172.25 1rxs s ASN 1222N -1.77 4.59 0.39 3.54 3.84 -1.26 -1.32 114.94 122.95 1rxs s ASN 1222Ca -0.09 -0.74 0.26 0.00 0.21 0.00 0.00 52.86 52.51 1rxs s ASN 1222Cb -0.03 -1.75 1.42 0.00 -0.55 0.00 0.00 41.25 40.34 1rxs s ASN 1222CO -0.00 -0.13 1.81 0.03 -2.79 0.00 0.00 177.10 176.01 1rxs h ARG 1223N 8.10 0.00 -0.02 0.43 2.47 -1.17 -2.08 114.38 122.12 1rxs h ARG 1223Ca -0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1rxs h ARG 1223Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 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 -2.43 0.02 0.00 2.04 -2.24 -1.26 -3.58 114.28 106.83 1rxs n THR 1224Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rxs n THR 1224Cb 0.05 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.66 2.58 -3.67 -0.78 10.64 -0.81 -5.10 117.38 119.59 1rxs n GLN 1225Ca 0.13 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.16 1rxs n GLN 1225Cb 0.09 -0.71 -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 -1.13 0.84 -0.13 2.61 -0.21 -1.06 -5.08 119.66 115.50 1rxs s GLN 1226Ca 0.00 -0.11 -0.08 0.00 0.02 0.00 0.00 55.36 55.19 1rxs s GLN 1226Cb 0.00 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 1rxs s GLN 1226CO 0.00 -0.26 -0.15 0.93 -2.12 0.00 0.00 175.29 173.69 1rxs h GLU 1227N 3.40 0.00 -5.89 2.91 5.08 -1.88 -3.32 114.58 114.88 1rxs h GLU 1227Ca -0.29 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.49 1rxs h GLU 1227Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1rxs h GLU 1227CO 0.41 0.00 0.14 0.42 -1.00 0.00 0.00 179.01 178.98 1rxs s ILE 1228N -2.09 5.01 0.07 3.13 -1.09 -1.26 -4.96 121.20 120.01 1rxs s ILE 1228Ca -0.13 1.38 -0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1rxs s ILE 1228Cb 0.02 -4.02 0.02 0.00 -1.58 0.00 0.00 42.46 36.90 1rxs s ILE 1228CO 0.19 0.17 0.04 -2.65 -1.23 0.00 0.00 174.94 171.45 1rxs n PRO 1229N 4.44 -1.57 0.00 2.79 -0.02 -1.26 -5.09 135.00 134.28 1rxs n PRO 1229Ca -0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1rxs n PRO 1229Cb 0.50 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 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 -1.87 0.00 0.21 -0.52 0.00 -1.26 -5.07 117.12 108.60 1rxs n MET 1234Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.78 1rxs n MET 1234Cb 0.03 0.00 0.45 0.00 0.00 0.00 0.00 33.22 33.70 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 -2.90 116.57 117.42 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 0.30 0.00 1.96 -2.27 0.00 0.00 179.45 179.44 1rxs h GLN 1236N 0.00 0.00 -0.07 1.90 4.20 -2.03 -2.90 115.11 116.22 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 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1rxs h GLN 1236CO 0.04 0.00 -0.26 1.15 -0.67 0.00 0.00 178.83 179.09 1rxs h THR 1237N 0.00 1.43 0.00 -0.54 2.02 -1.87 -2.29 112.91 111.67 1rxs h THR 1237Ca 0.00 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 1rxs h THR 1237Cb 0.86 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1rxs h THR 1237CO 0.00 0.47 -0.38 1.05 0.37 0.00 0.00 175.52 177.03 1rxs h GLU 1238N -0.21 0.00 -0.44 6.66 4.11 -1.65 -2.31 114.58 120.74 1rxs h GLU 1238Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1rxs h GLU 1238Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1rxs h GLU 1238CO 0.05 0.38 0.20 0.77 0.07 0.00 0.00 179.01 180.49 1rxs h SER 1239N 0.00 0.55 0.26 3.06 0.02 -1.51 0.52 113.55 116.45 1rxs h SER 1239Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1rxs h SER 1239Cb 1.03 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1rxs h SER 1239CO 0.05 0.47 -0.13 0.45 -1.14 0.00 0.00 176.83 176.54 1rxs h HIS 1240N 0.61 -0.32 -0.62 3.45 3.86 -1.02 -2.12 115.15 118.98 1rxs h HIS 1240Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1rxs h HIS 1240Cb 0.08 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1rxs h HIS 1240CO 0.00 0.03 0.40 0.00 0.86 0.00 0.00 177.93 179.22 1rxs h ALA 1241N -0.18 0.79 -0.29 2.45 0.00 -1.39 0.11 119.26 120.75 1rxs h ALA 1241Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 1241Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rxs h ALA 1241CO 0.06 0.24 0.15 0.28 0.00 0.00 0.00 179.25 179.98 1rxs h VAL 1242N 0.84 1.14 -0.84 0.00 2.07 -0.97 0.56 116.25 119.05 1rxs h VAL 1242Ca 0.22 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1rxs h VAL 1242Cb -0.07 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1rxs h VAL 1242CO -0.05 0.14 0.49 0.50 0.02 0.00 0.00 177.57 178.67 1rxs h LYS 1243N 0.34 0.79 -0.37 1.57 3.64 -0.94 -1.43 116.57 120.17 1rxs h LYS 1243Ca 0.10 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1rxs h LYS 1243Cb 0.09 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1rxs h LYS 1243CO -0.01 0.52 0.03 0.82 -2.27 0.00 0.00 179.45 178.54 1rxs h ILE 1244N 0.82 1.25 -0.43 2.00 2.04 -0.06 -1.76 117.51 121.37 1rxs h ILE 1244Ca 0.40 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1rxs h ILE 1244Cb 0.36 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1rxs h ILE 1244CO -0.24 0.31 -0.09 1.62 0.00 0.00 0.00 178.15 179.74 1rxs h VAL 1245N 0.46 1.25 -0.44 1.67 3.04 -0.34 -0.09 116.25 121.81 1rxs h VAL 1245Ca 0.11 -1.12 -0.07 0.00 -1.01 0.00 0.00 66.70 64.61 1rxs h VAL 1245Cb 0.41 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 1rxs h VAL 1245CO 0.01 0.38 0.00 0.58 -1.01 0.00 0.00 177.57 177.54 1rxs h VAL 1246N 0.68 1.26 -0.28 1.51 2.07 -1.20 -0.56 116.25 119.73 1rxs h VAL 1246Ca 0.12 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1rxs h VAL 1246Cb 0.55 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1rxs h VAL 1246CO 0.03 0.35 -0.24 -0.08 0.02 0.00 0.00 177.57 177.66 1rxs h GLU 1247N 0.61 0.53 -0.26 1.57 4.57 -1.03 -1.44 114.58 119.14 1rxs h GLU 1247Ca 0.12 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1rxs h GLU 1247Cb 0.49 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1rxs h GLU 1247CO 0.02 0.73 0.03 0.00 -1.18 0.00 0.00 179.01 178.61 1rxs h ALA 1248N 1.27 0.34 -0.67 2.92 0.00 -0.84 -2.79 119.26 119.49 1rxs h ALA 1248Ca 0.07 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1rxs h ALA 1248Cb 0.67 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1rxs h ALA 1248CO 0.05 0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.52 1rxs h ALA 1249N 0.84 0.85 -0.86 0.00 0.00 -0.79 0.09 119.26 119.39 1rxs h ALA 1249Ca 0.08 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.28 1rxs h ALA 1249Cb 0.36 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1rxs h ALA 1249CO 0.01 -0.29 0.44 -0.09 0.00 0.00 0.00 179.25 179.32 1rxs h ARG 1250N 0.30 0.59 0.00 0.00 2.43 -1.01 -1.60 114.38 115.10 1rxs h ARG 1250Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1rxs h ARG 1250Cb 0.56 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1rxs h ARG 1250CO -0.43 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.42 1rxs h ARG 1251N 0.61 0.00 -0.29 0.20 3.08 -0.78 -3.19 114.38 114.01 1rxs h ARG 1251Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1rxs h ARG 1251Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1rxs h ARG 1251CO -0.38 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.80 1rxs n LEU 1252N -2.60 3.23 0.00 3.04 4.77 -0.62 -5.06 117.00 119.76 1rxs n LEU 1252Ca 0.04 -1.32 0.15 0.00 -0.03 0.00 0.00 56.01 54.85 1rxs n LEU 1252Cb 0.42 -0.18 0.87 0.00 -2.33 0.00 0.00 43.42 42.20 1rxs n LEU 1252CO 0.30 0.66 1.04 0.18 -1.33 0.00 0.00 177.39 178.23