#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp0 h VAL 1006N 0.00 1.08 -4.17 2.41 -1.51 -1.94 -3.02 116.25 109.11 1pp0 h VAL 1006Ca 0.00 -1.64 -0.53 0.00 -1.23 0.00 0.00 66.70 63.30 1pp0 h VAL 1006Cb 0.00 1.95 -0.26 0.00 -2.13 0.00 0.00 31.29 30.84 1pp0 h VAL 1006CO 0.00 0.43 -0.83 -0.36 -1.23 0.00 0.00 177.57 175.58 1pp0 s PHE 1007N -3.69 1.59 -0.22 5.19 0.08 -1.26 -4.12 117.98 115.54 1pp0 s PHE 1007Ca -0.01 -0.35 -0.27 0.00 0.12 0.00 0.00 56.93 56.42 1pp0 s PHE 1007Cb 0.12 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1pp0 s PHE 1007CO 0.71 0.05 0.95 -1.14 -0.10 0.00 0.00 175.22 175.68 1pp0 s GLN 1008N -0.98 4.24 -0.00 0.44 0.74 0.17 -4.81 119.66 119.45 1pp0 s GLN 1008Ca 0.06 1.18 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 1pp0 s GLN 1008Cb -0.08 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1pp0 s GLN 1008CO 0.01 -0.55 1.15 -2.14 -0.55 0.00 0.00 175.29 173.20 1pp0 s PRO 1009N 2.94 4.43 -0.20 1.67 0.02 -1.26 -1.03 135.00 141.57 1pp0 s PRO 1009Ca 0.40 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 63.06 1pp0 s PRO 1009Cb -0.15 -3.46 0.05 0.00 0.02 0.00 0.00 34.50 30.96 1pp0 s PRO 1009CO 0.07 -0.29 -0.03 0.08 -0.33 0.00 0.00 177.00 176.50 1pp0 s VAL 1010N 1.54 1.14 -0.08 3.83 1.01 -0.26 -4.93 120.40 122.64 1pp0 s VAL 1010Ca 0.56 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 61.38 1pp0 s VAL 1010Cb -0.25 -1.42 0.13 0.00 0.00 0.00 0.00 36.38 34.83 1pp0 s VAL 1010CO 0.26 -0.03 1.24 1.51 0.00 0.00 0.00 175.10 178.08 1pp0 s ASP 1011N 1.59 -0.10 -0.32 3.32 1.47 -1.26 -1.94 116.67 119.44 1pp0 s ASP 1011Ca -0.02 -0.09 0.15 0.00 1.18 0.00 0.00 52.55 53.78 1pp0 s ASP 1011Cb -0.17 0.16 0.47 0.00 -0.34 0.00 0.00 42.92 43.04 1pp0 s ASP 1011CO -0.07 -0.29 1.07 0.00 0.68 0.00 0.00 175.17 176.56 1pp0 n GLN 1012N -0.32 2.19 -1.59 2.11 6.02 -1.26 -5.04 117.38 119.49 1pp0 n GLN 1012Ca -0.05 -3.73 -0.34 0.00 -0.01 0.00 0.00 57.00 52.87 1pp0 n GLN 1012Cb 0.61 -1.73 0.07 0.00 1.02 0.00 0.00 30.24 30.21 1pp0 n GLN 1012CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pp0 s LEU 1013N -3.50 3.39 0.61 1.08 1.43 -1.26 -4.96 118.68 115.46 1pp0 s LEU 1013Ca 0.35 2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 55.59 1pp0 s LEU 1013Cb 0.40 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1pp0 s LEU 1013CO -0.03 -2.04 1.08 -2.84 0.23 0.00 0.00 176.35 172.76 1pp0 s PRO 1014N -3.84 3.16 0.32 1.29 0.02 -1.26 -4.86 135.00 129.84 1pp0 s PRO 1014Ca 0.74 1.30 0.09 0.00 0.02 0.00 0.00 61.00 63.15 1pp0 s PRO 1014Cb -0.28 -2.01 0.85 0.00 0.02 0.00 0.00 34.50 33.09 1pp0 s PRO 1014CO 0.42 -0.95 1.75 1.49 -0.33 0.00 0.00 177.00 179.39 1pp0 h GLU 1015N 0.39 0.62 0.00 5.54 4.57 -2.02 -0.98 114.58 122.70 1pp0 h GLU 1015Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1pp0 h GLU 1015Cb 1.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1pp0 h GLU 1015CO 0.56 0.41 0.00 -0.40 -1.18 0.00 0.00 179.01 178.40 1pp0 n ASP 1016N -4.81 0.49 -0.18 1.04 5.75 -1.26 -2.42 116.55 115.16 1pp0 n ASP 1016Ca 0.25 0.64 0.07 0.00 -0.01 0.00 0.00 54.79 55.74 1pp0 n ASP 1016Cb 0.69 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 1pp0 n ASP 1016CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pp0 n LEU 1017N -2.06 1.13 -0.10 -2.12 4.77 -0.39 -4.62 117.00 113.62 1pp0 n LEU 1017Ca 0.02 -0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 55.27 1pp0 n LEU 1017Cb 0.18 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1pp0 n LEU 1017CO 0.16 0.24 0.98 0.40 -1.33 0.00 0.00 177.39 177.83 1pp0 h ILE 1018N 0.87 1.11 -0.80 -0.08 2.04 -1.34 -2.03 117.51 117.30 1pp0 h ILE 1018Ca 0.00 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1pp0 h ILE 1018Cb 0.43 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1pp0 h ILE 1018CO 0.00 0.11 0.46 -0.65 0.00 0.00 0.00 178.15 178.07 1pp0 h PRO 1019N 0.42 0.78 -0.64 2.37 0.11 -1.82 -1.04 132.00 132.17 1pp0 h PRO 1019Ca 0.12 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 1pp0 h PRO 1019Cb 0.01 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1pp0 h PRO 1019CO -0.02 0.51 0.06 0.77 -0.21 0.00 0.00 178.00 179.11 1pp0 h SER 1020N 0.80 1.04 -0.23 -2.05 0.02 -1.78 -2.04 113.55 109.32 1pp0 h SER 1020Ca 0.37 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1pp0 h SER 1020Cb 0.29 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1pp0 h SER 1020CO -0.22 1.06 0.01 0.77 -1.14 0.00 0.00 176.83 177.31 1pp0 h SER 1021N 1.00 0.48 -0.33 3.07 4.64 -0.62 -1.50 113.55 120.27 1pp0 h SER 1021Ca 0.19 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1pp0 h SER 1021Cb 0.49 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1pp0 h SER 1021CO 0.02 0.54 -0.09 0.40 -0.87 0.00 0.00 176.83 176.83 1pp0 h ILE 1022N 0.49 1.25 -0.27 0.95 1.08 -0.70 -1.72 117.51 118.60 1pp0 h ILE 1022Ca 0.11 -1.12 -0.08 0.00 -0.39 0.00 0.00 64.86 63.39 1pp0 h ILE 1022Cb 0.31 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1pp0 h ILE 1022CO 0.01 0.38 -0.16 1.56 -0.69 0.00 0.00 178.15 179.25 1pp0 h GLN 1023N 0.69 0.47 -0.60 2.37 1.08 -0.64 -0.54 115.11 117.93 1pp0 h GLN 1023Ca 0.12 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1pp0 h GLN 1023Cb 0.55 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1pp0 h GLN 1023CO 0.03 0.61 0.03 0.28 -0.95 0.00 0.00 178.83 178.84 1pp0 h VAL 1024N 0.43 1.26 -0.73 -0.54 2.07 -0.71 0.71 116.25 118.73 1pp0 h VAL 1024Ca 0.08 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1pp0 h VAL 1024Cb 0.53 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1pp0 h VAL 1024CO 0.03 0.40 0.21 0.25 0.02 0.00 0.00 177.57 178.49 1pp0 h LEU 1025N 0.94 1.07 -0.45 2.57 5.85 -0.96 -1.05 115.31 123.29 1pp0 h LEU 1025Ca 0.18 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1pp0 h LEU 1025Cb 0.52 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1pp0 h LEU 1025CO 0.02 1.00 0.04 0.50 -0.34 0.00 0.00 178.44 179.67 1pp0 h LYS 1026N 1.09 0.76 0.17 1.25 3.64 -0.68 -0.68 116.57 122.13 1pp0 h LYS 1026Ca 0.23 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1pp0 h LYS 1026Cb 0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1pp0 h LYS 1026CO -0.00 0.80 -0.08 0.35 -2.27 0.00 0.00 179.45 178.24 1pp0 h PHE 1027N 0.62 -0.21 -0.45 1.91 3.57 -0.63 -2.60 116.94 119.14 1pp0 h PHE 1027Ca 0.13 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1pp0 h PHE 1027Cb 0.43 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1pp0 h PHE 1027CO 0.03 -0.11 0.20 0.66 -2.23 0.00 0.00 178.31 176.85 1pp0 h SER 1028N -0.26 0.57 0.20 0.41 4.64 -1.12 -2.27 113.55 115.72 1pp0 h SER 1028Ca -0.02 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1pp0 h SER 1028Cb 0.20 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1pp0 h SER 1028CO 0.04 0.50 -0.03 1.23 -0.87 0.00 0.00 176.83 177.70 1pp0 h GLY 1029N 0.76 0.00 2.00 -0.77 0.00 -0.74 -1.36 103.07 102.97 1pp0 h GLY 1029Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1pp0 h GLY 1029CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1pp0 n LYS 1030N -3.42 0.02 -0.55 4.80 5.02 -0.85 -2.81 118.16 120.37 1pp0 n LYS 1030Ca -0.02 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 1pp0 n LYS 1030Cb 0.14 -1.54 0.25 0.00 -0.02 0.00 0.00 35.03 33.86 1pp0 n LYS 1030CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pp0 n TYR 1031N -1.57 1.07 -3.13 2.13 4.01 -0.51 -4.93 117.16 114.23 1pp0 n TYR 1031Ca 0.04 -1.04 -0.40 0.00 -0.16 0.00 0.00 57.90 56.34 1pp0 n TYR 1031Cb 0.19 -0.38 -0.06 0.00 -0.31 0.00 0.00 39.34 38.79 1pp0 n TYR 1031CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pp0 s LEU 1032N -2.93 4.19 -0.25 7.72 2.96 -1.12 -0.29 118.68 128.95 1pp0 s LEU 1032Ca 0.44 0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 55.14 1pp0 s LEU 1032Cb 0.36 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1pp0 s LEU 1032CO 0.07 -0.21 0.13 -0.75 -1.32 0.00 0.00 176.35 174.27 1pp0 s LYS 1033N 1.57 3.89 -0.26 1.98 2.20 0.70 -4.92 119.74 124.89 1pp0 s LYS 1033Ca 0.30 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.45 1pp0 s LYS 1033Cb -0.16 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1pp0 s LYS 1033CO 0.11 -0.08 0.13 -1.17 -0.36 0.00 0.00 175.35 173.98 1pp0 s LEU 1034N 1.42 3.74 -0.16 5.43 2.96 -1.26 -1.00 118.68 129.81 1pp0 s LEU 1034Ca 0.06 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 1pp0 s LEU 1034Cb -0.15 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.57 1pp0 s LEU 1034CO 0.06 -0.03 0.50 -0.70 -1.32 0.00 0.00 176.35 174.86 1pp0 s GLU 1035N 1.64 0.64 -1.44 1.98 2.12 -0.06 -4.88 118.70 118.70 1pp0 s GLU 1035Ca 0.07 0.59 -0.07 0.00 0.36 0.00 0.00 54.97 55.92 1pp0 s GLU 1035Cb -0.15 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.58 1pp0 s GLU 1035CO 0.07 -0.10 0.58 1.04 -0.54 0.00 0.00 175.26 176.31 1pp0 n GLN 1036N 2.52 -4.37 -2.20 4.30 6.02 -1.26 -1.07 117.38 121.32 1pp0 n GLN 1036Ca -0.15 0.72 -0.21 0.00 -0.01 0.00 0.00 57.00 57.36 1pp0 n GLN 1036Cb 0.56 -5.53 -0.03 0.00 1.02 0.00 0.00 30.24 26.27 1pp0 n GLN 1036CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1pp0 n ASP 1037N -2.45 -5.83 -4.03 1.08 9.92 -1.26 -4.99 116.55 109.00 1pp0 n ASP 1037Ca -0.07 0.12 -0.20 0.00 -0.53 0.00 0.00 54.79 54.12 1pp0 n ASP 1037Cb 0.58 -4.92 -0.15 0.00 -0.64 0.00 0.00 41.12 35.99 1pp0 n ASP 1037CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pp0 s LYS 1038N -4.72 0.88 -0.20 -1.24 1.02 -0.23 -5.13 119.74 110.12 1pp0 s LYS 1038Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 1pp0 s LYS 1038Cb 0.00 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1pp0 s LYS 1038CO 0.00 0.18 -0.06 0.00 -0.92 0.00 0.00 175.35 174.55 1pp0 s ALA 1039N -0.07 2.80 0.05 5.17 0.00 -1.26 -0.88 121.76 127.56 1pp0 s ALA 1039Ca 0.01 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1pp0 s ALA 1039Cb -0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1pp0 s ALA 1039CO -0.00 -0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.13 1pp0 s TYR 1040N 1.15 0.89 0.23 0.00 2.02 -0.17 -4.71 117.35 116.77 1pp0 s TYR 1040Ca 0.02 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 55.98 1pp0 s TYR 1040Cb -0.14 -0.52 -0.09 0.00 -0.40 0.00 0.00 41.96 40.81 1pp0 s TYR 1040CO -0.01 -0.02 1.23 0.12 -1.57 0.00 0.00 175.55 175.30 1pp0 s PHE 1041N -1.18 3.35 -0.94 2.71 5.99 -1.26 -0.22 117.98 126.42 1pp0 s PHE 1041Ca -0.05 1.42 -0.15 0.00 0.00 0.00 0.00 56.93 58.14 1pp0 s PHE 1041Cb -0.09 -3.49 0.19 0.00 0.00 0.00 0.00 43.02 39.63 1pp0 s PHE 1041CO 0.01 -1.38 1.01 0.34 -0.00 0.00 0.00 175.22 175.20 1pp0 s ASP 1042N -0.10 6.82 0.12 6.13 2.15 0.60 -4.86 116.67 127.53 1pp0 s ASP 1042Ca 0.52 -2.62 -0.18 0.00 0.43 0.00 0.00 52.55 50.70 1pp0 s ASP 1042Cb -0.35 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1pp0 s ASP 1042CO 0.41 -0.73 1.69 -0.50 -0.17 0.00 0.00 175.17 175.87 1pp0 h TRP 1043N 7.94 0.43 -0.41 -5.34 4.06 -1.93 -1.18 115.95 119.52 1pp0 h TRP 1043Ca 0.16 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.14 1pp0 h TRP 1043Cb 0.99 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 1pp0 h TRP 1043CO 1.06 0.39 0.14 -1.35 -3.56 0.00 0.00 178.44 175.11 1pp0 h PRO 1044N 0.34 0.29 -0.45 0.49 0.11 -1.99 0.12 132.00 130.91 1pp0 h PRO 1044Ca 0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1pp0 h PRO 1044Cb 0.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1pp0 h PRO 1044CO -0.01 0.19 0.26 0.78 -0.21 0.00 0.00 178.00 179.01 1pp0 h GLY 1045N 0.30 0.66 0.96 -0.55 0.00 -1.93 -1.34 103.07 101.16 1pp0 h GLY 1045Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1pp0 h GLY 1045CO -0.20 0.28 0.04 -2.75 0.00 0.00 0.00 176.54 173.91 1pp0 h PHE 1046N 0.60 0.79 -0.94 5.60 3.57 -0.86 -1.08 116.94 124.61 1pp0 h PHE 1046Ca 0.16 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1pp0 h PHE 1046Cb 0.02 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1pp0 h PHE 1046CO -0.03 0.77 0.62 0.87 -2.23 0.00 0.00 178.31 178.31 1pp0 h LYS 1047N 0.59 1.25 -0.47 1.11 1.57 -0.60 -0.59 116.57 119.43 1pp0 h LYS 1047Ca 0.13 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1pp0 h LYS 1047Cb 0.42 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1pp0 h LYS 1047CO 0.01 0.83 -0.00 1.15 -0.57 0.00 0.00 179.45 180.87 1pp0 h THR 1048N 1.28 1.26 -0.56 -0.16 2.02 -1.05 0.84 112.91 116.54 1pp0 h THR 1048Ca 0.35 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1pp0 h THR 1048Cb -0.14 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1pp0 h THR 1048CO -0.07 0.37 0.33 0.00 0.37 0.00 0.00 175.52 176.52 1pp0 h ALA 1049N 0.92 0.73 -0.42 6.16 0.00 -0.60 -0.29 119.26 125.76 1pp0 h ALA 1049Ca 0.13 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1pp0 h ALA 1049Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pp0 h ALA 1049CO 0.02 0.04 -0.24 0.82 0.00 0.00 0.00 179.25 179.89 1pp0 h ILE 1050N 0.65 1.28 -0.71 0.00 2.04 -0.90 -0.97 117.51 118.90 1pp0 h ILE 1050Ca 0.23 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.74 1pp0 h ILE 1050Cb 0.06 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1pp0 h ILE 1050CO -0.11 0.47 0.47 0.44 0.00 0.00 0.00 178.15 179.41 1pp0 h ASP 1051N 0.74 0.68 -0.70 1.72 3.32 -0.27 -2.37 116.42 119.54 1pp0 h ASP 1051Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pp0 h ASP 1051Cb 0.82 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1pp0 h ASP 1051CO 0.07 0.45 0.00 0.59 -1.72 0.00 0.00 179.24 178.63 1pp0 n ASN 1052N -4.47 3.90 -4.75 6.45 3.02 -0.17 -4.98 115.26 114.25 1pp0 n ASN 1052Ca 0.10 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 1pp0 n ASN 1052Cb 0.19 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1pp0 n ASN 1052CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pp0 s TYR 1053N -1.04 3.12 -0.49 3.10 5.04 -0.39 -4.98 117.35 121.71 1pp0 s TYR 1053Ca 0.48 1.24 0.07 0.00 -2.44 0.00 0.00 57.07 56.42 1pp0 s TYR 1053Cb 0.25 -3.69 0.26 0.00 0.35 0.00 0.00 41.96 39.13 1pp0 s TYR 1053CO 0.33 -2.09 0.63 2.41 -1.34 0.00 0.00 175.55 175.50 1pp0 n THR 1054N 1.86 0.67 -4.34 4.34 -1.04 -1.26 -5.06 114.28 109.45 1pp0 n THR 1054Ca 0.04 -4.57 -0.17 0.00 -2.04 0.00 0.00 64.05 57.31 1pp0 n THR 1054Cb 0.42 -1.92 -0.05 0.00 -1.82 0.00 0.00 70.33 66.96 1pp0 n THR 1054CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pp0 n GLY 1055N 1.08 3.56 0.11 3.41 0.00 -1.26 -5.08 105.19 107.01 1pp0 n GLY 1055Ca 0.25 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 44.22 1pp0 n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pp0 n GLU 1056N -0.62 0.71 -0.24 1.61 1.02 -1.26 -4.64 120.64 117.22 1pp0 n GLU 1056Ca -0.05 -0.57 0.07 0.00 -0.02 0.00 0.00 57.16 56.60 1pp0 n GLU 1056Cb 0.40 -0.98 0.17 0.00 -0.02 0.00 0.00 31.44 31.01 1pp0 n GLU 1056CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pp0 n ASP 1057N -0.05 3.07 -3.69 1.62 10.43 -1.26 -4.90 116.55 121.77 1pp0 n ASP 1057Ca 0.02 -2.61 -0.10 0.00 2.57 0.00 0.00 54.79 54.67 1pp0 n ASP 1057Cb 0.08 -0.36 -0.10 0.00 1.84 0.00 0.00 41.12 42.57 1pp0 n ASP 1057CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1pp0 s LEU 1058N -2.07 -0.12 0.03 0.64 2.96 -1.26 -0.98 118.68 117.88 1pp0 s LEU 1058Ca 0.29 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 55.16 1pp0 s LEU 1058Cb 0.22 1.45 -0.02 0.00 0.50 0.00 0.00 46.19 48.34 1pp0 s LEU 1058CO 0.08 -0.19 -0.06 -0.94 -1.32 0.00 0.00 176.35 173.92 1pp0 s SER 1059N 1.30 0.69 -0.09 3.68 1.04 -0.15 -4.75 113.70 115.42 1pp0 s SER 1059Ca -0.09 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 1pp0 s SER 1059Cb -0.08 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1pp0 s SER 1059CO -0.12 -0.13 0.70 0.12 0.98 0.00 0.00 173.24 174.79 1pp0 s PHE 1060N -0.97 3.54 -0.01 5.02 5.36 -1.26 -0.96 117.98 128.70 1pp0 s PHE 1060Ca -0.07 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.10 1pp0 s PHE 1060Cb -0.07 -2.81 -0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1pp0 s PHE 1060CO 0.00 0.04 -0.02 -3.47 -1.46 0.00 0.00 175.22 170.31 1pp0 n ASP 1061N 4.01 0.11 -3.46 6.13 -0.08 -0.15 -4.92 116.55 118.19 1pp0 n ASP 1061Ca -0.01 0.09 -0.11 0.00 -1.51 0.00 0.00 54.79 53.25 1pp0 n ASP 1061Cb 0.51 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 43.43 1pp0 n ASP 1061CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1pp0 s LYS 1062N -1.10 1.14 -0.09 -0.67 -2.85 -1.18 -5.02 119.74 109.98 1pp0 s LYS 1062Ca -0.01 -0.43 0.01 0.00 -1.00 0.00 0.00 55.97 54.54 1pp0 s LYS 1062Cb 0.00 0.52 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1pp0 s LYS 1062CO 0.02 -0.50 -0.10 -0.47 0.10 0.00 0.00 175.35 174.40 1pp0 s TYR 1063N -3.55 1.47 0.13 1.78 5.04 -1.26 -0.32 117.35 120.64 1pp0 s TYR 1063Ca 0.03 -0.62 0.10 0.00 -2.44 0.00 0.00 57.07 54.13 1pp0 s TYR 1063Cb -0.01 -1.13 -0.04 0.00 0.35 0.00 0.00 41.96 41.13 1pp0 s TYR 1063CO -0.11 -0.38 -0.23 -0.51 -1.34 0.00 0.00 175.55 172.98 1pp0 s ASP 1064N 1.08 2.99 -0.01 4.32 1.11 -0.12 -5.00 116.67 121.04 1pp0 s ASP 1064Ca -0.07 -0.76 -0.11 0.00 0.18 0.00 0.00 52.55 51.80 1pp0 s ASP 1064Cb -0.14 -0.19 0.01 0.00 1.07 0.00 0.00 42.92 43.67 1pp0 s ASP 1064CO -0.01 0.11 0.23 -1.58 1.18 0.00 0.00 175.17 175.09 1pp0 s GLN 1065N -2.17 0.56 -0.08 8.23 0.74 -1.26 -1.17 119.66 124.51 1pp0 s GLN 1065Ca 0.12 -0.23 -0.04 0.00 0.05 0.00 0.00 55.36 55.27 1pp0 s GLN 1065Cb -0.09 0.24 0.04 0.00 1.10 0.00 0.00 33.01 34.30 1pp0 s GLN 1065CO 0.06 -0.14 0.18 0.45 -0.55 0.00 0.00 175.29 175.29 1pp0 s SER 1066N -1.21 -0.17 -0.21 6.67 0.15 -0.12 -4.98 113.70 113.83 1pp0 s SER 1066Ca -0.13 0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1pp0 s SER 1066Cb -0.06 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1pp0 s SER 1066CO 0.03 -0.14 -0.16 -0.89 1.20 0.00 0.00 173.24 173.27 1pp0 s THR 1067N 1.04 2.10 -0.18 6.45 2.01 -1.26 -0.20 115.64 125.60 1pp0 s THR 1067Ca -0.08 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 60.67 1pp0 s THR 1067Cb -0.10 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1pp0 s THR 1067CO -0.06 0.31 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.50 1pp0 s ILE 1068N 1.22 3.57 0.74 1.82 1.01 0.15 -5.02 121.20 124.68 1pp0 s ILE 1068Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1pp0 s ILE 1068Cb -0.16 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.77 1pp0 s ILE 1068CO -0.10 0.46 1.17 0.21 0.00 0.00 0.00 174.94 176.69 1pp0 s ASN 1069N 0.89 4.27 0.31 3.58 3.04 -1.26 -2.43 114.94 123.34 1pp0 s ASN 1069Ca -0.01 2.24 -0.27 0.00 0.04 0.00 0.00 52.86 54.86 1pp0 s ASN 1069Cb -0.15 -2.58 -0.14 0.00 -1.54 0.00 0.00 41.25 36.85 1pp0 s ASN 1069CO 0.01 -2.21 0.94 0.00 -3.04 0.00 0.00 177.10 172.80 1pp0 n GLN 1070N -2.86 1.21 -3.68 0.43 3.00 -1.26 -4.71 117.38 109.51 1pp0 n GLN 1070Ca 0.12 0.43 -0.12 0.00 -0.01 0.00 0.00 57.00 57.42 1pp0 n GLN 1070Cb 0.51 -1.79 -0.09 0.00 0.00 0.00 0.00 30.24 28.87 1pp0 n GLN 1070CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1pp0 s GLN 1071N -1.59 0.58 -0.28 -1.09 0.74 -0.38 -4.93 119.66 112.71 1pp0 s GLN 1071Ca 0.60 0.83 -0.29 0.00 0.05 0.00 0.00 55.36 56.55 1pp0 s GLN 1071Cb -0.68 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.61 1pp0 s GLN 1071CO 0.59 -0.11 1.59 -1.12 -0.55 0.00 0.00 175.29 175.70 1pp0 s SER 1072N 0.77 6.29 0.21 6.67 0.01 -1.26 -2.02 113.70 124.37 1pp0 s SER 1072Ca -0.04 1.38 -0.20 0.00 1.31 0.00 0.00 55.95 58.40 1pp0 s SER 1072Cb -0.05 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.69 1pp0 s SER 1072CO -0.06 -1.37 0.60 0.00 0.41 0.00 0.00 173.24 172.82 1pp0 s GLN 1073N 4.89 1.46 0.41 12.44 -2.07 -0.85 -4.97 119.66 130.96 1pp0 s GLN 1073Ca 0.70 -0.78 -0.13 0.00 -1.82 0.00 0.00 55.36 53.34 1pp0 s GLN 1073Cb -0.22 0.57 -0.07 0.00 -1.09 0.00 0.00 33.01 32.20 1pp0 s GLN 1073CO 0.30 -0.64 0.81 -1.21 -1.32 0.00 0.00 175.29 173.23 1pp0 s GLU 1074N -3.85 3.87 0.22 9.60 2.02 -1.26 -2.23 118.70 127.07 1pp0 s GLU 1074Ca 0.07 0.61 -0.08 0.00 0.02 0.00 0.00 54.97 55.59 1pp0 s GLU 1074Cb -0.02 -2.35 0.34 0.00 0.10 0.00 0.00 34.13 32.20 1pp0 s GLU 1074CO -0.03 -0.04 1.70 0.28 0.02 0.00 0.00 175.26 177.18 1pp0 h VAL 1075N 1.26 0.60 -0.91 2.63 2.07 -0.94 -1.95 116.25 119.00 1pp0 h VAL 1075Ca -0.47 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1pp0 h VAL 1075Cb 1.18 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1pp0 h VAL 1075CO 0.64 0.05 0.60 1.23 0.02 0.00 0.00 177.57 180.10 1pp0 h GLY 1076N 0.26 1.28 1.00 2.17 0.00 -1.36 -0.26 103.07 106.16 1pp0 h GLY 1076Ca 0.34 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1pp0 h GLY 1076CO -0.44 0.45 -0.12 0.00 0.00 0.00 0.00 176.54 176.43 1pp0 h ALA 1077N 1.44 0.57 -0.48 3.60 0.00 -1.63 -1.64 119.26 121.12 1pp0 h ALA 1077Ca 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pp0 h ALA 1077Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pp0 h ALA 1077CO -0.08 0.47 0.26 1.98 0.00 0.00 0.00 179.25 181.88 1pp0 h MET 1078N 0.63 0.67 -0.80 0.00 -1.53 -0.89 -1.78 114.93 111.23 1pp0 h MET 1078Ca 0.10 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 1pp0 h MET 1078Cb 0.66 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 1pp0 h MET 1078CO 0.04 0.53 0.44 0.28 0.14 0.00 0.00 176.91 178.35 1pp0 h VAL 1079N 0.64 1.24 -0.69 -5.77 2.07 -0.93 -1.80 116.25 111.00 1pp0 h VAL 1079Ca 0.17 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1pp0 h VAL 1079Cb 0.05 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1pp0 h VAL 1079CO -0.03 0.26 0.41 0.44 0.02 0.00 0.00 177.57 178.67 1pp0 h ASP 1080N 1.11 0.83 -0.34 0.57 3.32 -0.80 0.22 116.42 121.33 1pp0 h ASP 1080Ca 0.28 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1pp0 h ASP 1080Cb 0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1pp0 h ASP 1080CO -0.05 0.65 0.11 0.11 -1.72 0.00 0.00 179.24 178.34 1pp0 h LYS 1081N 0.96 0.53 -0.26 3.56 1.57 -0.76 0.29 116.57 122.48 1pp0 h LYS 1081Ca 0.25 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1pp0 h LYS 1081Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1pp0 h LYS 1081CO -0.05 0.56 0.11 0.82 -0.57 0.00 0.00 179.45 180.33 1pp0 h ILE 1082N 0.40 1.16 -0.90 1.86 2.04 -0.64 -1.84 117.51 119.60 1pp0 h ILE 1082Ca 0.11 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1pp0 h ILE 1082Cb 0.25 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1pp0 h ILE 1082CO -0.00 0.16 0.54 0.00 0.00 0.00 0.00 178.15 178.85 1pp0 h ALA 1083N 0.96 1.15 -0.34 1.87 0.00 -0.44 -2.06 119.26 120.40 1pp0 h ALA 1083Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pp0 h ALA 1083Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pp0 h ALA 1083CO -0.01 0.61 0.14 -0.22 0.00 0.00 0.00 179.25 179.77 1pp0 h LYS 1084N 1.24 0.50 -0.01 0.00 3.64 -0.72 0.45 116.57 121.67 1pp0 h LYS 1084Ca 0.32 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1pp0 h LYS 1084Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1pp0 h LYS 1084CO -0.06 0.49 -0.02 0.35 -2.27 0.00 0.00 179.45 177.93 1pp0 h PHE 1085N 0.40 -0.05 -0.44 1.91 3.57 -1.06 0.16 116.94 121.43 1pp0 h PHE 1085Ca 0.11 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 1pp0 h PHE 1085Cb 0.17 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1pp0 h PHE 1085CO -0.01 -0.03 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.73 1pp0 h LEU 1086N -0.04 0.94 -0.61 0.59 3.38 -1.32 -2.65 115.31 115.60 1pp0 h LEU 1086Ca 0.01 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 1pp0 h LEU 1086Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pp0 h LEU 1086CO -0.03 1.12 -0.53 -0.74 0.09 0.00 0.00 178.44 178.35 1pp0 h HIS 1087N 0.79 0.55 -0.81 1.13 2.76 -0.76 0.27 115.15 119.09 1pp0 h HIS 1087Ca 0.10 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 1pp0 h HIS 1087Cb 0.79 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 1pp0 h HIS 1087CO 0.05 0.88 0.33 -0.44 -1.30 0.00 0.00 177.93 177.45 1pp0 h ASP 1088N 0.35 1.11 0.55 3.26 3.32 -0.60 -2.74 116.42 121.66 1pp0 h ASP 1088Ca 0.01 -0.17 -0.28 0.00 0.02 0.00 0.00 57.03 56.61 1pp0 h ASP 1088Cb 1.05 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1pp0 h ASP 1088CO 0.09 0.97 -1.61 0.00 -1.72 0.00 0.00 179.24 176.98 1pp0 h ALA 1089N 1.18 0.69 -1.31 3.45 0.00 -1.34 -3.40 119.26 118.53 1pp0 h ALA 1089Ca 0.27 -1.38 -0.50 0.00 0.00 0.00 0.00 54.91 53.30 1pp0 h ALA 1089Cb 0.21 0.40 -0.41 0.00 0.00 0.00 0.00 17.79 17.99 1pp0 h ALA 1089CO -0.02 1.52 -0.91 1.19 0.00 0.00 0.00 179.25 181.02 1pp0 n PHE 1090N -3.12 2.54 -0.01 0.00 3.72 0.93 -4.88 117.46 116.64 1pp0 n PHE 1090Ca -0.15 -2.98 0.18 0.00 -0.05 0.00 0.00 57.45 54.45 1pp0 n PHE 1090Cb 1.04 -0.20 0.64 0.00 -0.94 0.00 0.00 39.48 40.02 1pp0 n PHE 1090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp0 h ALA 1091N 2.73 2.37 0.00 4.37 0.00 -1.67 -0.68 119.26 126.39 1pp0 h ALA 1091Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pp0 h ALA 1091Cb 1.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1pp0 h ALA 1091CO 0.71 -0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.35 1pp0 h ALA 1092N 1.74 1.02 0.00 0.00 0.00 -1.90 -3.35 119.26 116.78 1pp0 h ALA 1092Ca 0.25 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 1pp0 h ALA 1092Cb 0.87 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1pp0 h ALA 1092CO -0.02 0.13 -1.97 0.28 0.00 0.00 0.00 179.25 177.66 1pp0 n VAL 1093N -3.25 0.98 -5.17 0.00 0.31 -0.35 -4.96 118.33 105.89 1pp0 n VAL 1093Ca 0.00 -0.37 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 1pp0 n VAL 1093Cb 0.36 -1.14 -0.16 0.00 -0.91 0.00 0.00 33.84 31.98 1pp0 n VAL 1093CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pp0 s VAL 1094N -2.34 2.23 -0.09 2.52 -7.23 -0.64 -4.79 120.40 110.06 1pp0 s VAL 1094Ca -0.23 -0.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.76 1pp0 s VAL 1094Cb 0.06 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1pp0 s VAL 1094CO 0.39 0.56 0.56 -1.81 -0.31 0.00 0.00 175.10 174.48 1pp0 s ASP 1095N 0.08 6.81 0.10 4.85 1.01 -1.26 -4.52 116.67 123.73 1pp0 s ASP 1095Ca -0.10 0.96 -0.22 0.00 0.71 0.00 0.00 52.55 53.90 1pp0 s ASP 1095Cb -0.16 -2.33 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 1pp0 s ASP 1095CO 0.06 -0.02 1.38 0.25 0.21 0.00 0.00 175.17 177.05 1pp0 h LEU 1096N 6.60 -1.39 -0.65 1.23 7.12 -1.95 0.11 115.31 126.38 1pp0 h LEU 1096Ca -0.42 0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 1pp0 h LEU 1096Cb 1.19 0.59 -0.03 0.00 -0.53 0.00 0.00 40.66 41.88 1pp0 h LEU 1096CO 0.75 -0.23 0.25 0.77 -0.13 0.00 0.00 178.44 179.84 1pp0 h SER 1097N -0.16 0.91 -0.39 1.25 4.64 -1.97 -1.87 113.55 115.95 1pp0 h SER 1097Ca 0.08 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1pp0 h SER 1097Cb 0.36 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1pp0 h SER 1097CO -0.51 0.84 0.11 0.11 -0.87 0.00 0.00 176.83 176.51 1pp0 h LYS 1098N 0.92 0.61 -0.28 4.77 1.57 -1.94 -1.80 116.57 120.42 1pp0 h LYS 1098Ca 0.21 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1pp0 h LYS 1098Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1pp0 h LYS 1098CO -0.02 0.62 0.14 1.25 -0.57 0.00 0.00 179.45 180.87 1pp0 h LEU 1099N 0.48 0.20 -0.60 2.94 5.85 -0.84 -1.81 115.31 121.53 1pp0 h LEU 1099Ca 0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1pp0 h LEU 1099Cb 0.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1pp0 h LEU 1099CO -0.00 0.15 0.38 0.00 -0.34 0.00 0.00 178.44 178.64 1pp0 h ALA 1100N 1.14 0.76 -0.90 1.25 0.00 -1.24 -1.78 119.26 118.49 1pp0 h ALA 1100Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pp0 h ALA 1100Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1pp0 h ALA 1100CO -0.08 0.21 0.56 0.00 0.00 0.00 0.00 179.25 179.94 1pp0 h ALA 1101N 1.20 1.28 -0.26 0.00 0.00 -1.02 0.66 119.26 121.13 1pp0 h ALA 1101Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pp0 h ALA 1101Cb -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1pp0 h ALA 1101CO -0.04 0.63 0.09 0.82 0.00 0.00 0.00 179.25 180.74 1pp0 h ILE 1102N 1.24 1.19 -0.13 0.00 2.04 -0.82 -0.78 117.51 120.25 1pp0 h ILE 1102Ca 0.33 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1pp0 h ILE 1102Cb -0.08 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1pp0 h ILE 1102CO -0.06 0.20 -0.02 0.40 0.00 0.00 0.00 178.15 178.67 1pp0 h ILE 1103N 0.26 1.27 -0.58 -0.67 2.04 -0.95 -2.44 117.51 116.46 1pp0 h ILE 1103Ca 0.09 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.05 1pp0 h ILE 1103Cb 0.22 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1pp0 h ILE 1103CO -0.00 0.26 0.37 0.25 0.00 0.00 0.00 178.15 179.03 1pp0 h LEU 1104N -0.06 0.62 -1.18 1.44 5.85 -0.86 -1.82 115.31 119.30 1pp0 h LEU 1104Ca 0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1pp0 h LEU 1104Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1pp0 h LEU 1104CO 0.01 0.44 0.21 0.78 -0.34 0.00 0.00 178.44 179.54 1pp0 h ASN 1105N 0.74 0.71 -0.04 1.25 -0.26 -1.14 -1.15 115.58 115.69 1pp0 h ASN 1105Ca 0.22 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1pp0 h ASN 1105Cb -0.03 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.04 1pp0 h ASN 1105CO -0.07 0.65 0.00 0.74 -1.06 0.00 0.00 177.43 177.69 1pp0 h THR 1106N 0.77 1.23 0.00 2.81 2.02 -0.90 -2.59 112.91 116.26 1pp0 h THR 1106Ca 0.18 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1pp0 h THR 1106Cb 0.16 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1pp0 h THR 1106CO -0.02 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.55 1pp0 n PHE 1107N -4.91 0.65 1.02 3.16 3.72 -0.74 -2.16 117.46 118.20 1pp0 n PHE 1107Ca -0.07 0.22 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 1pp0 n PHE 1107Cb 0.17 -0.86 0.11 0.00 -0.94 0.00 0.00 39.48 37.96 1pp0 n PHE 1107CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pp0 n THR 1108N -2.06 0.00 -2.16 4.37 -2.24 -0.46 -4.28 114.28 107.45 1pp0 n THR 1108Ca 0.04 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1pp0 n THR 1108Cb 0.30 1.42 0.09 0.00 -2.10 0.00 0.00 70.33 70.05 1pp0 n THR 1108CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pp0 n ASN 1109N 1.13 1.89 0.15 3.42 4.13 -0.92 -4.36 115.26 120.70 1pp0 n ASN 1109Ca 0.14 -2.93 0.04 0.00 1.68 0.00 0.00 54.58 53.51 1pp0 n ASN 1109Cb 0.57 -0.41 0.46 0.00 -1.54 0.00 0.00 39.78 38.86 1pp0 n ASN 1109CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1pp0 h LEU 1110N 1.40 0.17 -0.57 3.41 3.38 -1.68 -1.94 115.31 119.48 1pp0 h LEU 1110Ca -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1pp0 h LEU 1110Cb 1.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1pp0 h LEU 1110CO 0.17 0.27 0.30 -0.08 0.09 0.00 0.00 178.44 179.19 1pp0 h GLU 1111N 0.18 0.81 0.00 1.13 4.81 -1.89 0.44 114.58 120.06 1pp0 h GLU 1111Ca 0.04 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1pp0 h GLU 1111Cb 0.25 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pp0 h GLU 1111CO 0.01 0.64 -0.74 0.93 -0.73 0.00 0.00 179.01 179.12 1pp0 h GLU 1112N 0.77 0.00 -0.02 1.92 5.08 -1.88 -3.26 114.58 117.19 1pp0 h GLU 1112Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1pp0 h GLU 1112Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1pp0 h GLU 1112CO -0.03 0.74 -0.10 0.39 -1.00 0.00 0.00 179.01 179.01 1pp0 n GLU 1113N -3.66 1.90 -0.31 2.33 1.02 -0.76 -4.57 120.64 116.60 1pp0 n GLU 1113Ca -0.01 -1.46 0.16 0.00 -0.02 0.00 0.00 57.16 55.83 1pp0 n GLU 1113Cb 0.72 -1.47 0.34 0.00 -0.02 0.00 0.00 31.44 31.01 1pp0 n GLU 1113CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pp0 h SER 1114N 3.57 0.17 0.58 1.62 0.87 -0.17 0.19 113.55 120.38 1pp0 h SER 1114Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1pp0 h SER 1114Cb 0.81 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1pp0 h SER 1114CO 0.00 -0.13 0.00 -1.20 -0.53 0.00 0.00 176.83 174.97 1pp0 n SER 1115N -5.16 0.00 -4.77 6.23 7.64 -1.26 -4.88 113.62 111.43 1pp0 n SER 1115Ca 0.24 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.70 1pp0 n SER 1115Cb 0.75 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 1pp0 n SER 1115CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pp0 s SER 1116N -2.63 5.98 0.00 6.43 1.04 0.66 -4.88 113.70 120.30 1pp0 s SER 1116Ca 0.24 2.90 0.16 0.00 0.48 0.00 0.00 55.95 59.73 1pp0 s SER 1116Cb 0.18 -2.65 0.80 0.00 0.10 0.00 0.00 66.02 64.45 1pp0 s SER 1116CO 0.43 -1.10 1.45 0.61 0.98 0.00 0.00 173.24 175.61 1pp0 n GLY 1117N 0.58 -0.81 1.08 7.32 0.00 -1.26 -2.67 105.19 109.43 1pp0 n GLY 1117Ca 0.04 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1pp0 n GLY 1117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp0 n PHE 1118N -1.28 0.96 -4.58 1.61 1.16 -1.14 -4.35 117.46 109.84 1pp0 n PHE 1118Ca 0.08 -0.62 -0.21 0.00 -1.87 0.00 0.00 57.45 54.82 1pp0 n PHE 1118Cb 0.13 -0.16 -0.15 0.00 -1.61 0.00 0.00 39.48 37.69 1pp0 n PHE 1118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp0 s LEU 1119N -1.66 2.04 -0.08 5.98 1.43 -1.09 -1.04 118.68 124.26 1pp0 s LEU 1119Ca 0.39 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1pp0 s LEU 1119Cb 0.25 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1pp0 s LEU 1119CO 0.19 0.15 0.03 -1.58 0.23 0.00 0.00 176.35 175.37 1pp0 s GLN 1120N -0.36 0.36 0.17 1.70 2.00 -0.40 -4.83 119.66 118.30 1pp0 s GLN 1120Ca 0.05 0.14 -0.05 0.00 -2.00 0.00 0.00 55.36 53.50 1pp0 s GLN 1120Cb -0.05 -0.96 -0.06 0.00 0.80 0.00 0.00 33.01 32.74 1pp0 s GLN 1120CO -0.00 -0.36 0.41 0.12 -0.50 0.00 0.00 175.29 174.96 1pp0 s PHE 1121N 2.04 3.47 0.09 1.67 5.36 -1.26 -1.22 117.98 128.13 1pp0 s PHE 1121Ca 0.04 0.57 -0.24 0.00 -0.96 0.00 0.00 56.93 56.35 1pp0 s PHE 1121Cb -0.13 -2.02 0.06 0.00 -0.34 0.00 0.00 43.02 40.59 1pp0 s PHE 1121CO -0.05 0.38 0.59 1.21 -1.46 0.00 0.00 175.22 175.89 1pp0 s ASN 1122N -2.59 -0.54 0.11 6.13 3.04 -0.57 -5.00 114.94 115.52 1pp0 s ASN 1122Ca 0.42 0.16 0.07 0.00 0.04 0.00 0.00 52.86 53.55 1pp0 s ASN 1122Cb -0.12 0.56 -0.04 0.00 -1.54 0.00 0.00 41.25 40.11 1pp0 s ASN 1122CO 0.25 -0.84 -0.18 0.42 -3.04 0.00 0.00 177.10 173.71 1pp0 s THR 1123N -2.98 1.56 -0.42 -5.21 -4.23 -1.26 -0.99 115.64 102.12 1pp0 s THR 1123Ca -0.03 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1pp0 s THR 1123Cb -0.01 -1.52 0.10 0.00 1.34 0.00 0.00 72.50 72.41 1pp0 s THR 1123CO -0.06 -0.20 0.23 0.21 -0.54 0.00 0.00 174.62 174.26 1pp0 s ASN 1124N -2.12 5.41 0.42 3.99 3.04 -0.31 -4.97 114.94 120.39 1pp0 s ASN 1124Ca 0.07 -1.82 0.20 0.00 0.04 0.00 0.00 52.86 51.35 1pp0 s ASN 1124Cb -0.08 -1.90 1.13 0.00 -1.54 0.00 0.00 41.25 38.87 1pp0 s ASN 1124CO 0.04 -0.55 1.81 0.78 -3.04 0.00 0.00 177.10 176.14 1pp0 h ASN 1125N 8.22 0.39 0.12 -4.21 4.21 -1.97 0.93 115.58 123.27 1pp0 h ASN 1125Ca -0.18 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 1pp0 h ASN 1125Cb 1.06 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1pp0 h ASN 1125CO 0.73 0.11 -0.06 0.58 -1.29 0.00 0.00 177.43 177.51 1pp0 h VAL 1126N 0.36 0.00 0.00 2.81 2.07 -1.96 -3.31 116.25 116.23 1pp0 h VAL 1126Ca 0.54 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1pp0 h VAL 1126Cb 1.44 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1pp0 h VAL 1126CO -0.22 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.66 1pp0 n LYS 1127N -3.43 0.06 -2.57 1.57 5.02 -1.18 -4.85 118.16 112.79 1pp0 n LYS 1127Ca -0.02 0.28 -0.19 0.00 -2.02 0.00 0.00 58.31 56.36 1pp0 n LYS 1127Cb 0.06 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1pp0 n LYS 1127CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp0 n LYS 1128N -1.40 -2.47 -2.75 1.97 4.76 0.31 -4.98 118.16 113.61 1pp0 n LYS 1128Ca 0.03 0.85 -0.11 0.00 -2.87 0.00 0.00 58.31 56.22 1pp0 n LYS 1128Cb 0.09 -5.54 -0.02 0.00 -1.84 0.00 0.00 35.03 27.73 1pp0 n LYS 1128CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1pp0 n ASN 1129N -2.06 2.24 -3.82 4.39 2.04 -1.19 -3.67 115.26 113.19 1pp0 n ASN 1129Ca -0.18 -1.74 -0.09 0.00 -0.44 0.00 0.00 54.58 52.12 1pp0 n ASN 1129Cb 0.65 0.08 -0.04 0.00 -2.53 0.00 0.00 39.78 37.94 1pp0 n ASN 1129CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1pp0 s SER 1130N -2.01 0.01 0.17 0.53 1.04 -0.91 -1.17 113.70 111.37 1pp0 s SER 1130Ca 0.03 -0.97 -0.19 0.00 0.48 0.00 0.00 55.95 55.30 1pp0 s SER 1130Cb -0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1pp0 s SER 1130CO 0.02 -1.22 0.52 -0.94 0.98 0.00 0.00 173.24 172.60 1pp0 s SER 1131N -3.04 -0.34 -0.03 7.02 1.04 -0.16 -1.47 113.70 116.72 1pp0 s SER 1131Ca 0.22 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.36 1pp0 s SER 1131Cb -0.02 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1pp0 s SER 1131CO 0.10 -0.99 -0.07 0.26 0.98 0.00 0.00 173.24 173.52 1pp0 s TRP 1132N -3.82 0.84 -0.21 5.02 0.52 -0.46 -1.52 118.94 119.32 1pp0 s TRP 1132Ca 0.05 -0.22 -0.09 0.00 0.02 0.00 0.00 56.10 55.86 1pp0 s TRP 1132Cb -0.01 -0.65 -0.05 0.00 -1.15 0.00 0.00 33.47 31.62 1pp0 s TRP 1132CO -0.08 -0.13 0.11 -2.00 0.02 0.00 0.00 176.95 174.87 1pp0 s GLU 1133N 0.47 4.06 -0.17 4.98 2.12 -0.36 -1.21 118.70 128.59 1pp0 s GLU 1133Ca -0.07 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 1pp0 s GLU 1133Cb -0.11 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.91 1pp0 s GLU 1133CO 0.01 0.21 -0.12 -0.47 -0.54 0.00 0.00 175.26 174.35 1pp0 s TYR 1134N 0.58 2.84 -0.20 5.30 5.04 0.38 -1.27 117.35 130.02 1pp0 s TYR 1134Ca 0.06 -0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 53.69 1pp0 s TYR 1134Cb -0.12 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 1pp0 s TYR 1134CO 0.01 -0.46 -0.05 1.03 -1.34 0.00 0.00 175.55 174.74 1pp0 s ARG 1135N 0.93 3.43 0.00 4.97 0.52 -0.21 -0.78 118.95 127.82 1pp0 s ARG 1135Ca -0.02 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 1pp0 s ARG 1135Cb -0.15 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 1pp0 s ARG 1135CO -0.01 -0.09 -0.02 0.54 0.02 0.00 0.00 175.30 175.74 1pp0 s VAL 1136N 1.19 0.18 -0.25 3.52 0.11 -0.44 -0.66 120.40 124.05 1pp0 s VAL 1136Ca 0.02 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1pp0 s VAL 1136Cb -0.14 -0.18 0.07 0.00 -1.53 0.00 0.00 36.38 34.59 1pp0 s VAL 1136CO -0.01 -0.04 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.47 1pp0 s LEU 1137N -0.28 2.78 -0.01 2.54 0.20 -0.20 -1.19 118.68 122.51 1pp0 s LEU 1137Ca -0.02 -1.30 -0.17 0.00 0.69 0.00 0.00 54.13 53.33 1pp0 s LEU 1137Cb -0.02 -1.21 -0.06 0.00 -0.43 0.00 0.00 46.19 44.47 1pp0 s LEU 1137CO -0.00 -0.26 0.46 -0.36 -0.29 0.00 0.00 176.35 175.90 1pp0 s PHE 1138N 1.35 3.69 -0.01 5.38 0.08 -0.69 -1.10 117.98 126.69 1pp0 s PHE 1138Ca -0.03 1.03 0.02 0.00 0.12 0.00 0.00 56.93 58.07 1pp0 s PHE 1138Cb -0.19 -2.41 -0.00 0.00 -0.57 0.00 0.00 43.02 39.85 1pp0 s PHE 1138CO -0.08 0.50 -0.08 -1.12 -0.10 0.00 0.00 175.22 174.35 1pp0 s SER 1139N -0.63 0.97 -0.10 1.36 0.01 -0.82 0.27 113.70 114.76 1pp0 s SER 1139Ca 0.25 -0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1pp0 s SER 1139Cb -0.17 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 65.96 1pp0 s SER 1139CO 0.14 0.09 0.25 0.68 0.41 0.00 0.00 173.24 174.81 1pp0 s VAL 1140N -0.13 -0.02 0.59 3.43 -7.23 -0.59 -4.28 120.40 112.18 1pp0 s VAL 1140Ca 0.02 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.10 1pp0 s VAL 1140Cb -0.04 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1pp0 s VAL 1140CO -0.00 0.03 1.07 -2.16 -0.31 0.00 0.00 175.10 173.73 1pp0 s PRO 1141N 0.70 3.27 0.31 4.82 0.04 -1.26 -0.40 135.00 142.48 1pp0 s PRO 1141Ca -0.05 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.31 1pp0 s PRO 1141Cb -0.06 -2.02 0.51 0.00 0.04 0.00 0.00 34.50 32.97 1pp0 s PRO 1141CO -0.04 -0.86 1.78 0.74 0.04 0.00 0.00 177.00 178.65 1pp0 h PHE 1142N 0.50 0.45 0.00 0.56 -1.00 -1.45 -3.45 116.94 112.55 1pp0 h PHE 1142Ca -0.47 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1pp0 h PHE 1142Cb 1.23 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1pp0 h PHE 1142CO 0.57 0.60 0.00 0.41 -1.61 0.00 0.00 178.31 178.28 1pp0 n GLY 1143N -0.52 -0.32 0.11 -1.45 0.00 -1.26 -4.74 105.19 97.01 1pp0 n GLY 1143Ca -0.00 -2.25 0.09 0.00 0.00 0.00 0.00 46.02 43.86 1pp0 n GLY 1143CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp0 n ASP 1144N 0.00 0.45 0.06 1.61 8.00 -1.26 -1.82 116.55 123.59 1pp0 n ASP 1144Ca 0.00 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.29 1pp0 n ASP 1144Cb 0.00 -0.74 0.37 0.00 -0.02 0.00 0.00 41.12 40.72 1pp0 n ASP 1144CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pp0 n ASN 1145N -2.06 0.61 -2.87 -2.24 5.03 -1.26 -4.34 115.26 108.13 1pp0 n ASN 1145Ca 0.00 0.36 -0.11 0.00 0.87 0.00 0.00 54.58 55.70 1pp0 n ASN 1145Cb 0.10 -0.38 0.01 0.00 -1.02 0.00 0.00 39.78 38.49 1pp0 n ASN 1145CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pp0 n ALA 1146N -1.72 -0.59 0.24 5.41 0.00 -0.75 -5.03 120.51 118.07 1pp0 n ALA 1146Ca 0.05 -1.77 0.18 0.00 0.00 0.00 0.00 53.44 51.90 1pp0 n ALA 1146Cb 0.41 -1.25 0.87 0.00 0.00 0.00 0.00 19.45 19.48 1pp0 n ALA 1146CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pp0 h PRO 1147N 4.34 0.00 -0.01 0.00 0.11 -1.69 -2.24 132.00 132.51 1pp0 h PRO 1147Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pp0 h PRO 1147Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pp0 h PRO 1147CO 0.28 0.00 -0.10 0.43 -0.21 0.00 0.00 178.00 178.40 1pp0 n SER 1148N -3.49 1.14 -4.51 -2.05 7.64 -1.26 -4.94 113.62 106.16 1pp0 n SER 1148Ca 0.01 -1.16 -0.29 0.00 1.01 0.00 0.00 58.87 58.44 1pp0 n SER 1148Cb 0.34 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 1pp0 n SER 1148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp0 s TYR 1149N -2.23 2.57 0.08 1.43 2.02 -0.84 -0.27 117.35 120.11 1pp0 s TYR 1149Ca 0.33 -0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.64 1pp0 s TYR 1149Cb 0.20 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1pp0 s TYR 1149CO 0.42 0.42 0.32 -0.59 -1.57 0.00 0.00 175.55 174.55 1pp0 s PHE 1150N -1.26 -0.10 0.01 2.71 -0.71 -0.46 -1.38 117.98 116.80 1pp0 s PHE 1150Ca 0.20 -0.15 -0.08 0.00 -1.04 0.00 0.00 56.93 55.85 1pp0 s PHE 1150Cb -0.10 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 1pp0 s PHE 1150CO 0.11 -0.59 0.30 0.71 -1.34 0.00 0.00 175.22 174.41 1pp0 s TYR 1151N -3.28 3.59 -0.08 3.49 2.02 0.46 -0.51 117.35 123.05 1pp0 s TYR 1151Ca 0.00 0.64 0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1pp0 s TYR 1151Cb 0.01 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1pp0 s TYR 1151CO -0.08 0.60 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.28 1pp0 s SER 1152N -1.63 1.83 -0.36 2.29 0.01 -0.28 -1.53 113.70 114.02 1pp0 s SER 1152Ca 0.28 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1pp0 s SER 1152Cb -0.13 -0.81 0.09 0.00 0.21 0.00 0.00 66.02 65.37 1pp0 s SER 1152CO 0.16 -0.00 0.10 -0.22 0.41 0.00 0.00 173.24 173.68 1pp0 s LEU 1153N 0.91 4.67 -0.40 2.44 2.96 0.14 -0.32 118.68 129.08 1pp0 s LEU 1153Ca -0.10 -1.77 -0.28 0.00 -0.22 0.00 0.00 54.13 51.76 1pp0 s LEU 1153Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1pp0 s LEU 1153CO 0.01 -0.41 1.03 -0.69 -1.32 0.00 0.00 176.35 174.97 1pp0 s VAL 1154N 1.14 4.42 0.03 1.68 1.01 -0.28 -1.70 120.40 126.71 1pp0 s VAL 1154Ca 0.04 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.33 1pp0 s VAL 1154Cb -0.21 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1pp0 s VAL 1154CO -0.04 -0.72 -0.08 0.28 0.00 0.00 0.00 175.10 174.54 1pp0 s THR 1155N 3.88 0.59 0.00 3.92 -1.32 -0.34 -0.88 115.64 121.50 1pp0 s THR 1155Ca 0.43 -0.87 0.05 0.00 -1.21 0.00 0.00 61.69 60.09 1pp0 s THR 1155Cb -0.10 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.27 1pp0 s THR 1155CO 0.23 -0.21 -0.16 0.42 -2.21 0.00 0.00 174.62 172.69 1pp0 s THR 1156N -1.02 1.28 -0.14 5.08 -4.23 0.14 -1.32 115.64 115.43 1pp0 s THR 1156Ca -0.06 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1pp0 s THR 1156Cb -0.08 -1.09 0.03 0.00 1.34 0.00 0.00 72.50 72.71 1pp0 s THR 1156CO 0.00 0.29 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.66 1pp0 s ILE 1157N -0.49 1.17 -0.28 2.99 1.01 0.04 -1.38 121.20 124.26 1pp0 s ILE 1157Ca 0.06 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1pp0 s ILE 1157Cb -0.07 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1pp0 s ILE 1157CO -0.00 0.28 0.05 -0.22 0.00 0.00 0.00 174.94 175.05 1pp0 s LEU 1158N 1.63 3.71 -0.16 2.97 2.96 -0.02 -0.47 118.68 129.29 1pp0 s LEU 1158Ca 0.03 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 1pp0 s LEU 1158Cb -0.14 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1pp0 s LEU 1158CO -0.08 -0.17 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.09 1pp0 s ILE 1159N 1.47 3.74 0.01 6.68 1.01 -0.35 -1.10 121.20 132.66 1pp0 s ILE 1159Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1pp0 s ILE 1159Cb -0.17 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1pp0 s ILE 1159CO 0.01 0.49 -0.16 -0.89 0.00 0.00 0.00 174.94 174.39 1pp0 s THR 1160N 0.51 2.95 0.09 2.92 2.01 -0.17 -1.35 115.64 122.60 1pp0 s THR 1160Ca -0.04 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 1pp0 s THR 1160Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1pp0 s THR 1160CO 0.03 0.41 0.24 0.00 -0.69 0.00 0.00 174.62 174.60 1pp0 s ALA 1161N -0.89 -0.39 -1.57 7.40 0.00 -0.54 -0.66 121.76 125.11 1pp0 s ALA 1161Ca 0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 1pp0 s ALA 1161Cb -0.11 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1pp0 s ALA 1161CO 0.04 -0.53 2.82 -0.40 0.00 0.00 0.00 175.76 177.70 1pp0 n ASP 1162N -0.04 8.25 -4.16 0.00 5.75 -1.16 -2.28 116.55 122.91 1pp0 n ASP 1162Ca -0.16 -2.67 -0.33 0.00 -0.01 0.00 0.00 54.79 51.63 1pp0 n ASP 1162Cb 0.62 -1.54 -0.16 0.00 -1.03 0.00 0.00 41.12 39.01 1pp0 n ASP 1162CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pp0 s ILE 1163N 1.83 2.10 0.04 2.12 1.01 -1.26 -4.91 121.20 122.14 1pp0 s ILE 1163Ca 0.66 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1pp0 s ILE 1163Cb 0.18 -1.85 -0.33 0.00 0.01 0.00 0.00 42.46 40.47 1pp0 s ILE 1163CO -0.07 0.54 1.05 -0.08 0.00 0.00 0.00 174.94 176.39 1pp0 h GLU 1164N 7.48 0.54 -6.45 2.79 4.81 -1.87 -2.42 114.58 119.46 1pp0 h GLU 1164Ca -0.36 -0.85 -0.64 0.00 -0.13 0.00 0.00 59.36 57.38 1pp0 h GLU 1164Cb 1.18 0.31 -0.14 0.00 0.63 0.00 0.00 28.75 30.73 1pp0 h GLU 1164CO 0.58 1.40 -0.71 -1.21 -0.73 0.00 0.00 179.01 178.34 1pp0 s GLU 1165N -2.72 2.24 0.24 1.92 0.41 -1.26 -4.80 118.70 114.73 1pp0 s GLU 1165Ca -0.08 -1.06 -0.05 0.00 -0.41 0.00 0.00 54.97 53.36 1pp0 s GLU 1165Cb 0.05 -2.33 0.37 0.00 -1.78 0.00 0.00 34.13 30.44 1pp0 s GLU 1165CO 0.94 0.49 1.80 -0.22 -0.49 0.00 0.00 175.26 177.78 1pp0 h LYS 1166N 3.24 0.72 0.00 1.61 3.64 -1.97 0.20 116.57 124.02 1pp0 h LYS 1166Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1pp0 h LYS 1166Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1pp0 h LYS 1166CO 0.55 0.48 0.00 1.79 -2.27 0.00 0.00 179.45 180.00 1pp0 h THR 1167N 0.74 0.00 0.00 1.00 1.35 -1.99 -1.17 112.91 112.84 1pp0 h THR 1167Ca 0.38 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1pp0 h THR 1167Cb 0.35 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1pp0 h THR 1167CO -0.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.63 1pp0 n GLY 1168N -0.94 -1.09 0.19 5.82 0.00 0.06 -2.10 105.19 107.13 1pp0 n GLY 1168Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1pp0 n GLY 1168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pp0 n TRP 1169N -1.49 0.00 -2.40 1.61 7.02 -0.44 -4.92 117.44 116.81 1pp0 n TRP 1169Ca 0.04 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.13 1pp0 n TRP 1169Cb 0.20 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 28.95 1pp0 n TRP 1169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp0 s TRP 1170N -2.73 3.35 -1.35 -5.99 0.23 -0.89 -3.68 118.94 107.88 1pp0 s TRP 1170Ca 0.16 1.63 -0.02 0.00 -2.03 0.00 0.00 56.10 55.84 1pp0 s TRP 1170Cb 0.18 -3.33 0.00 0.00 0.03 0.00 0.00 33.47 30.35 1pp0 s TRP 1170CO 0.65 -0.88 0.26 0.41 0.96 0.00 0.00 176.95 178.34 1pp0 n GLY 1171N 0.87 -0.31 3.77 0.98 0.00 -1.26 -4.98 105.19 104.26 1pp0 n GLY 1171Ca 0.01 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1pp0 n GLY 1171CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pp0 s LEU 1172N -5.19 4.09 0.27 0.99 2.96 -1.24 -5.04 118.68 115.52 1pp0 s LEU 1172Ca 0.13 2.32 0.08 0.00 -0.22 0.00 0.00 54.13 56.43 1pp0 s LEU 1172Cb -0.06 -4.14 -0.06 0.00 0.50 0.00 0.00 46.19 42.44 1pp0 s LEU 1172CO 0.16 -0.80 -0.10 0.42 -1.32 0.00 0.00 176.35 174.71 1pp0 s THR 1173N -1.49 1.84 0.62 3.68 -4.23 -1.26 -4.48 115.64 110.32 1pp0 s THR 1173Ca 0.61 -2.19 0.32 0.00 -1.18 0.00 0.00 61.69 59.25 1pp0 s THR 1173Cb -0.29 -2.38 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1pp0 s THR 1173CO 0.36 -0.36 2.07 0.77 -0.54 0.00 0.00 174.62 176.93 1pp0 h SER 1174N 2.30 0.00 0.86 3.99 4.64 -1.95 -0.89 113.55 122.50 1pp0 h SER 1174Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1pp0 h SER 1174Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pp0 h SER 1174CO 0.66 0.00 -0.72 0.28 -0.87 0.00 0.00 176.83 176.17 1pp0 h SER 1175N 0.00 0.00 -3.00 4.97 0.02 -1.94 -0.54 113.55 113.05 1pp0 h SER 1175Ca 0.06 -0.19 -0.54 0.00 -0.84 0.00 0.00 61.79 60.28 1pp0 h SER 1175Cb 0.53 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.15 1pp0 h SER 1175CO -0.00 0.09 0.85 0.41 -1.14 0.00 0.00 176.83 177.04 1pp0 n THR 1176N -2.22 0.77 -4.79 -2.27 -1.04 -0.34 -4.69 114.28 99.71 1pp0 n THR 1176Ca 0.03 -0.19 -0.33 0.00 -2.04 0.00 0.00 64.05 61.51 1pp0 n THR 1176Cb 0.46 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 66.97 1pp0 n THR 1176CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1pp0 s LYS 1177N -0.12 3.30 0.27 -2.82 2.20 -1.26 -1.00 119.74 120.32 1pp0 s LYS 1177Ca 0.68 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1pp0 s LYS 1177Cb -0.54 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1pp0 s LYS 1177CO 0.45 0.26 0.40 0.15 -0.36 0.00 0.00 175.35 176.24 1pp0 s LYS 1178N 0.24 1.61 -0.95 4.03 -0.14 -0.95 -4.94 119.74 118.63 1pp0 s LYS 1178Ca -0.09 -1.54 -0.19 0.00 -1.36 0.00 0.00 55.97 52.79 1pp0 s LYS 1178Cb -0.15 0.41 0.12 0.00 -1.68 0.00 0.00 37.83 36.53 1pp0 s LYS 1178CO 0.05 -0.64 1.19 1.21 -0.76 0.00 0.00 175.35 176.40 1pp0 s ASN 1179N -3.14 6.62 -0.09 2.83 2.47 -1.26 -2.02 114.94 120.35 1pp0 s ASN 1179Ca 0.29 -1.97 -0.13 0.00 0.42 0.00 0.00 52.86 51.48 1pp0 s ASN 1179Cb 0.01 -2.43 -0.05 0.00 -1.45 0.00 0.00 41.25 37.33 1pp0 s ASN 1179CO 0.14 -1.13 0.30 -0.36 -3.72 0.00 0.00 177.10 172.33 1pp0 s PHE 1180N 3.06 3.59 0.18 0.43 0.08 -0.86 -2.97 117.98 121.49 1pp0 s PHE 1180Ca 0.35 0.73 0.10 0.00 0.12 0.00 0.00 56.93 58.23 1pp0 s PHE 1180Cb -0.04 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1pp0 s PHE 1180CO -0.09 0.49 -0.20 0.00 -0.10 0.00 0.00 175.22 175.32 1pp0 s ALA 1181N -0.41 2.21 -0.03 5.36 0.00 0.17 -1.25 121.76 127.80 1pp0 s ALA 1181Ca 0.19 -1.55 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1pp0 s ALA 1181Cb -0.14 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1pp0 s ALA 1181CO 0.07 0.30 0.28 0.54 0.00 0.00 0.00 175.76 176.95 1pp0 s VAL 1182N -1.93 0.05 -0.08 0.00 0.11 -1.02 -1.00 120.40 116.53 1pp0 s VAL 1182Ca 0.18 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1pp0 s VAL 1182Cb -0.06 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1pp0 s VAL 1182CO 0.08 -0.23 -0.07 -1.58 -3.33 0.00 0.00 175.10 169.96 1pp0 s GLN 1183N -1.06 1.35 -0.11 1.54 0.74 -0.26 -0.68 119.66 121.18 1pp0 s GLN 1183Ca -0.11 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.08 1pp0 s GLN 1183Cb -0.05 -1.34 -0.02 0.00 1.10 0.00 0.00 33.01 32.70 1pp0 s GLN 1183CO 0.03 -0.17 -0.14 0.42 -0.55 0.00 0.00 175.29 174.89 1pp0 s ILE 1184N 1.34 3.00 -0.04 -2.34 1.01 0.72 -0.84 121.20 124.06 1pp0 s ILE 1184Ca -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1pp0 s ILE 1184Cb -0.14 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1pp0 s ILE 1184CO -0.03 0.54 -0.07 -1.81 0.00 0.00 0.00 174.94 173.57 1pp0 s ASP 1185N 0.08 1.06 -0.13 3.58 1.11 -0.48 -0.95 116.67 120.94 1pp0 s ASP 1185Ca -0.06 -0.16 -0.07 0.00 0.18 0.00 0.00 52.55 52.45 1pp0 s ASP 1185Cb -0.15 -0.43 0.05 0.00 1.07 0.00 0.00 42.92 43.47 1pp0 s ASP 1185CO 0.05 -0.00 0.31 0.00 1.18 0.00 0.00 175.17 176.70 1pp0 s ALA 1186N 0.61 -0.75 -0.15 5.23 0.00 -0.32 -0.69 121.76 125.70 1pp0 s ALA 1186Ca -0.09 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1pp0 s ALA 1186Cb -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1pp0 s ALA 1186CO 0.01 -0.26 -0.16 -1.17 0.00 0.00 0.00 175.76 174.18 1pp0 s LEU 1187N 1.41 1.79 -0.18 0.00 0.20 -0.06 -0.95 118.68 120.89 1pp0 s LEU 1187Ca -0.09 -0.51 -0.15 0.00 0.69 0.00 0.00 54.13 54.07 1pp0 s LEU 1187Cb -0.10 -1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 44.39 1pp0 s LEU 1187CO -0.10 -0.03 0.36 -0.70 -0.29 0.00 0.00 176.35 175.60 1pp0 s GLU 1188N 1.33 4.21 0.10 1.98 2.12 0.56 -1.12 118.70 127.88 1pp0 s GLU 1188Ca 0.02 0.17 0.10 0.00 0.36 0.00 0.00 54.97 55.62 1pp0 s GLU 1188Cb -0.13 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1pp0 s GLU 1188CO -0.09 0.07 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.95 1pp0 s LEU 1189N 0.98 2.43 -0.24 2.70 1.43 0.57 -0.97 118.68 125.58 1pp0 s LEU 1189Ca 0.18 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1pp0 s LEU 1189Cb -0.14 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1pp0 s LEU 1189CO 0.07 0.20 -0.00 -0.69 0.23 0.00 0.00 176.35 176.16 1pp0 s VAL 1190N -1.02 3.67 0.03 -1.59 1.01 -0.13 -1.13 120.40 121.25 1pp0 s VAL 1190Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1pp0 s VAL 1190Cb -0.10 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1pp0 s VAL 1190CO 0.06 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1pp0 s VAL 1191N 1.51 2.74 0.03 2.92 1.01 0.33 -0.98 120.40 127.97 1pp0 s VAL 1191Ca 0.05 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1pp0 s VAL 1191Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1pp0 s VAL 1191CO -0.01 0.36 -0.15 -0.75 0.00 0.00 0.00 175.10 174.55 1pp0 s LYS 1192N -1.36 2.19 0.09 2.72 2.20 -0.15 -1.35 119.74 124.07 1pp0 s LYS 1192Ca 0.14 -0.92 -0.36 0.00 -0.36 0.00 0.00 55.97 54.47 1pp0 s LYS 1192Cb -0.10 -2.26 -0.17 0.00 -1.51 0.00 0.00 37.83 33.79 1pp0 s LYS 1192CO 0.05 0.55 1.32 1.17 -0.36 0.00 0.00 175.35 178.08 1pp0 n LYS 1193N 1.56 1.13 0.00 4.03 4.81 0.63 -1.69 118.16 128.62 1pp0 n LYS 1193Ca -0.16 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1pp0 n LYS 1193Cb 0.52 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1pp0 n LYS 1193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pp0 n GLY 1194N 2.46 1.63 3.70 3.14 0.00 -1.26 -5.03 105.19 109.82 1pp0 n GLY 1194Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1pp0 n GLY 1194CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp0 n PHE 1195N -0.92 2.36 -4.67 1.61 7.35 -0.68 -5.00 117.46 117.51 1pp0 n PHE 1195Ca 0.00 0.42 -0.24 0.00 -0.76 0.00 0.00 57.45 56.87 1pp0 n PHE 1195Cb 0.00 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.19 1pp0 n PHE 1195CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1pp0 s LYS 1196N -0.80 1.55 0.24 -4.13 -0.14 -1.26 -4.65 119.74 110.55 1pp0 s LYS 1196Ca 0.64 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.45 1pp0 s LYS 1196Cb -0.59 -1.35 -0.13 0.00 -1.68 0.00 0.00 37.83 34.08 1pp0 s LYS 1196CO 0.53 0.16 1.52 0.00 -0.76 0.00 0.00 175.35 176.79 1pp0 n ALA 1197N 3.33 1.71 0.54 5.17 0.00 -1.26 -5.05 120.51 124.95 1pp0 n ALA 1197Ca -0.19 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1pp0 n ALA 1197Cb 0.53 -2.36 0.26 0.00 0.00 0.00 0.00 19.45 17.87 1pp0 n ALA 1197CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15