#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwn s LYS 1003N 0.00 4.22 0.24 5.31 2.20 -1.26 -4.97 119.74 125.47 1fwn s LYS 1003Ca 0.00 2.05 -0.30 0.00 -0.36 0.00 0.00 55.97 57.36 1fwn s LYS 1003Cb 0.00 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.41 1fwn s LYS 1003CO 0.00 -0.75 1.29 0.12 -0.36 0.00 0.00 175.35 175.66 1fwn s PHE 1004N 3.43 3.23 -0.15 4.03 2.19 -1.21 -4.76 117.98 124.73 1fwn s PHE 1004Ca 0.68 1.30 -0.09 0.00 0.33 0.00 0.00 56.93 59.15 1fwn s PHE 1004Cb -0.31 -3.60 -0.04 0.00 -1.31 0.00 0.00 43.02 37.76 1fwn s PHE 1004CO 0.26 -1.78 0.16 -1.17 1.83 0.00 0.00 175.22 174.52 1fwn s LEU 1005N -0.64 4.32 -0.27 6.12 2.96 -0.81 -0.01 118.68 130.35 1fwn s LEU 1005Ca 0.54 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1fwn s LEU 1005Cb -0.37 -2.11 0.08 0.00 0.50 0.00 0.00 46.19 44.28 1fwn s LEU 1005CO 0.42 0.30 0.01 -0.69 -1.32 0.00 0.00 176.35 175.07 1fwn s VAL 1006N -0.43 1.43 -0.29 1.68 1.01 -0.37 -0.94 120.40 122.48 1fwn s VAL 1006Ca 0.13 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1fwn s VAL 1006Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1fwn s VAL 1006CO 0.02 -0.34 0.36 -0.63 0.00 0.00 0.00 175.10 174.51 1fwn s ILE 1007N 1.40 5.18 0.05 2.22 1.01 0.20 -1.79 121.20 129.47 1fwn s ILE 1007Ca 0.01 0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.93 1fwn s ILE 1007Cb -0.18 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1fwn s ILE 1007CO -0.11 0.10 0.33 0.00 0.00 0.00 0.00 174.94 175.26 1fwn s ALA 1008N 2.04 -0.76 0.00 9.38 0.00 -0.73 -0.28 121.76 131.41 1fwn s ALA 1008Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1fwn s ALA 1008Cb -0.16 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1fwn s ALA 1008CO 0.11 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1fwn n GLY 1009N 0.44 0.75 3.76 0.00 0.00 -1.15 -1.38 105.19 107.61 1fwn n GLY 1009Ca -0.18 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1fwn n GLY 1009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwn s PRO 1010N -2.00 4.41 0.17 1.61 0.04 -1.04 -1.15 135.00 137.04 1fwn s PRO 1010Ca 0.00 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 62.92 1fwn s PRO 1010Cb 0.00 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.48 1fwn s PRO 1010CO 0.00 -0.14 1.59 0.00 0.04 0.00 0.00 177.00 178.49 1fwn s ALA 1012N -5.97 2.59 -1.28 0.00 0.00 -1.26 -1.27 121.76 114.58 1fwn s ALA 1012Ca -0.15 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 1fwn s ALA 1012Cb 0.14 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1fwn s ALA 1012CO 0.68 0.58 1.91 -0.89 0.00 0.00 0.00 175.76 178.03 1fwn n ILE 1013N 0.84 3.36 0.26 0.00 5.41 -0.47 -4.72 119.36 124.04 1fwn n ILE 1013Ca -0.16 -3.32 0.10 0.00 1.00 0.00 0.00 62.75 60.36 1fwn n ILE 1013Cb 0.53 -2.39 0.67 0.00 -0.71 0.00 0.00 39.64 37.74 1fwn n ILE 1013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1fwn h GLU 1014N 7.50 0.00 -1.13 0.38 5.08 -1.95 -3.42 114.58 121.04 1fwn h GLU 1014Ca 0.45 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 59.12 1fwn h GLU 1014Cb 0.80 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.85 1fwn h GLU 1014CO 1.58 0.09 0.95 -1.54 -1.00 0.00 0.00 179.01 179.09 1fwn s SER 1015N -6.63 -0.04 0.40 1.42 1.04 -1.26 -4.99 113.70 103.65 1fwn s SER 1015Ca -0.04 0.00 0.17 0.00 0.48 0.00 0.00 55.95 56.57 1fwn s SER 1015Cb 0.15 0.04 0.86 0.00 0.10 0.00 0.00 66.02 67.17 1fwn s SER 1015CO 0.63 -0.06 1.85 -0.08 0.98 0.00 0.00 173.24 176.56 1fwn h GLU 1016N 2.00 0.00 0.33 4.02 4.81 -1.96 -2.83 114.58 120.95 1fwn h GLU 1016Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1fwn h GLU 1016Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1fwn h GLU 1016CO 0.19 0.32 -0.16 1.49 -0.73 0.00 0.00 179.01 180.13 1fwn h GLU 1017N 0.00 -0.43 -0.78 1.92 4.81 -1.99 -1.67 114.58 116.44 1fwn h GLU 1017Ca -0.00 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1fwn h GLU 1017Cb 0.66 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 1fwn h GLU 1017CO 0.04 -0.20 0.36 1.25 -0.73 0.00 0.00 179.01 179.73 1fwn h LEU 1018N -0.59 0.41 -0.63 1.64 5.85 -1.91 -1.42 115.31 118.67 1fwn h LEU 1018Ca -0.05 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1fwn h LEU 1018Cb 0.43 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1fwn h LEU 1018CO 0.07 0.19 0.34 -0.07 -0.34 0.00 0.00 178.44 178.63 1fwn h LEU 1019N 0.55 0.79 -0.93 2.25 4.07 -1.29 -1.97 115.31 118.78 1fwn h LEU 1019Ca 0.42 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.20 1fwn h LEU 1019Cb 0.57 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1fwn h LEU 1019CO -0.35 0.67 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.57 1fwn h LEU 1020N 0.86 0.72 -0.32 1.67 3.38 -0.38 0.18 115.31 121.42 1fwn h LEU 1020Ca 0.22 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1fwn h LEU 1020Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1fwn h LEU 1020CO -0.03 0.81 0.01 0.50 0.09 0.00 0.00 178.44 179.82 1fwn h LYS 1021N 0.70 0.56 -0.26 1.13 3.64 -0.99 -0.60 116.57 120.75 1fwn h LYS 1021Ca 0.13 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 1fwn h LYS 1021Cb 0.47 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1fwn h LYS 1021CO 0.02 0.68 -0.34 0.28 -2.27 0.00 0.00 179.45 177.82 1fwn h VAL 1022N 0.37 1.31 -0.98 2.00 2.07 -1.20 -3.09 116.25 116.72 1fwn h VAL 1022Ca 0.09 -1.54 0.06 0.00 0.82 0.00 0.00 66.70 66.14 1fwn h VAL 1022Cb 0.42 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 1fwn h VAL 1022CO 0.01 0.49 0.63 1.23 0.02 0.00 0.00 177.57 179.96 1fwn h GLY 1023N 0.41 1.46 0.60 2.17 0.00 -0.56 -0.63 103.07 106.52 1fwn h GLY 1023Ca 0.03 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.94 1fwn h GLY 1023CO 0.08 0.35 0.07 -2.09 0.00 0.00 0.00 176.54 174.95 1fwn h GLU 1024N 1.16 0.18 -0.42 4.80 4.81 -1.03 0.26 114.58 124.35 1fwn h GLU 1024Ca 0.41 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1fwn h GLU 1024Cb 0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1fwn h GLU 1024CO -0.15 0.12 0.04 1.49 -0.73 0.00 0.00 179.01 179.77 1fwn h GLU 1025N 0.18 0.71 -0.55 1.92 4.57 -1.33 -1.69 114.58 118.40 1fwn h GLU 1025Ca 0.16 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1fwn h GLU 1025Cb 0.17 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1fwn h GLU 1025CO -0.21 0.77 0.20 0.82 -1.18 0.00 0.00 179.01 179.41 1fwn h ILE 1026N 0.56 1.21 -0.37 2.32 2.04 -0.69 -0.90 117.51 121.68 1fwn h ILE 1026Ca 0.12 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1fwn h ILE 1026Cb 0.42 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1fwn h ILE 1026CO 0.01 0.26 0.11 0.50 0.00 0.00 0.00 178.15 179.03 1fwn h LYS 1027N 0.79 0.58 -0.42 2.37 1.63 -0.23 -0.01 116.57 121.28 1fwn h LYS 1027Ca 0.19 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1fwn h LYS 1027Cb 0.18 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 1fwn h LYS 1027CO -0.01 0.60 0.19 -0.09 -3.45 0.00 0.00 179.45 176.69 1fwn h ARG 1028N 0.44 0.38 -0.21 1.90 2.43 -0.71 -1.93 114.38 116.69 1fwn h ARG 1028Ca 0.12 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1fwn h ARG 1028Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1fwn h ARG 1028CO -0.00 0.25 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.43 1fwn h LEU 1029N 0.39 0.36 -1.59 3.80 3.38 -0.95 -2.11 115.31 118.60 1fwn h LEU 1029Ca 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1fwn h LEU 1029Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fwn h LEU 1029CO -0.14 0.58 -0.22 0.77 0.09 0.00 0.00 178.44 179.52 1fwn h SER 1030N 0.34 0.00 0.64 -0.43 4.64 -0.27 0.35 113.55 118.81 1fwn h SER 1030Ca 0.06 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 1fwn h SER 1030Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1fwn h SER 1030CO 0.04 0.22 -0.91 -0.33 -0.87 0.00 0.00 176.83 174.98 1fwn h GLU 1031N 0.00 0.17 0.05 4.77 4.39 -0.73 -3.33 114.58 119.89 1fwn h GLU 1031Ca -0.00 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1fwn h GLU 1031Cb 0.46 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1fwn h GLU 1031CO 0.03 0.97 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.60 1fwn h LYS 1032N 0.09 -0.06 -4.19 2.33 3.64 -0.87 -3.39 116.57 114.13 1fwn h LYS 1032Ca -0.05 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.60 1fwn h LYS 1032Cb 1.56 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 33.23 1fwn h LYS 1032CO 0.14 0.24 1.77 1.19 -2.27 0.00 0.00 179.45 180.52 1fwn n PHE 1033N -4.78 3.96 0.42 1.91 3.01 0.11 -4.79 117.46 117.30 1fwn n PHE 1033Ca -0.04 -3.06 0.05 0.00 1.01 0.00 0.00 57.45 55.42 1fwn n PHE 1033Cb 0.16 -2.11 0.25 0.00 -0.01 0.00 0.00 39.48 37.77 1fwn n PHE 1033CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1fwn n LYS 1034N 4.94 0.03 -0.01 -1.08 5.02 -1.25 -1.69 118.16 124.13 1fwn n LYS 1034Ca 0.39 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 57.10 1fwn n LYS 1034Cb 0.40 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.36 1fwn n LYS 1034CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1fwn n GLU 1035N -1.46 1.77 -4.48 1.97 0.00 -1.26 -4.85 120.64 112.33 1fwn n GLU 1035Ca 0.03 -1.13 -0.33 0.00 0.00 0.00 0.00 57.16 55.73 1fwn n GLU 1035Cb 0.12 -1.47 -0.10 0.00 0.00 0.00 0.00 31.44 29.99 1fwn n GLU 1035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1fwn s VAL 1036N -1.97 3.87 -0.35 3.84 1.01 -0.68 -3.34 120.40 122.77 1fwn s VAL 1036Ca 0.36 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1fwn s VAL 1036Cb 0.21 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1fwn s VAL 1036CO 0.32 0.51 0.21 -0.70 0.00 0.00 0.00 175.10 175.45 1fwn s GLU 1037N -1.10 3.13 0.12 2.72 2.12 0.99 -4.97 118.70 121.72 1fwn s GLU 1037Ca 0.15 -0.88 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 1fwn s GLU 1037Cb -0.11 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.49 1fwn s GLU 1037CO 0.05 -0.57 0.47 -0.06 -0.54 0.00 0.00 175.26 174.60 1fwn s PHE 1038N 1.62 3.57 -0.06 5.30 0.40 -1.26 -1.23 117.98 126.32 1fwn s PHE 1038Ca 0.04 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.24 1fwn s PHE 1038Cb -0.18 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.14 1fwn s PHE 1038CO 0.08 0.45 0.03 0.08 0.70 0.00 0.00 175.22 176.56 1fwn s VAL 1039N -1.49 0.16 -0.08 -0.44 1.01 -0.74 -4.14 120.40 114.68 1fwn s VAL 1039Ca 0.37 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1fwn s VAL 1039Cb -0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1fwn s VAL 1039CO 0.19 0.22 1.02 0.12 0.00 0.00 0.00 175.10 176.65 1fwn s PHE 1040N 2.00 3.52 0.01 5.22 5.36 -0.01 -1.78 117.98 132.31 1fwn s PHE 1040Ca 0.04 1.59 0.08 0.00 -0.96 0.00 0.00 56.93 57.68 1fwn s PHE 1040Cb -0.12 -3.19 -0.02 0.00 -0.34 0.00 0.00 43.02 39.34 1fwn s PHE 1040CO -0.04 -0.26 -0.26 0.21 -1.46 0.00 0.00 175.22 173.41 1fwn s LYS 1041N 1.85 1.95 -0.29 10.12 2.47 -0.48 -1.38 119.74 133.97 1fwn s LYS 1041Ca 0.49 -1.00 -0.16 0.00 -1.56 0.00 0.00 55.97 53.75 1fwn s LYS 1041Cb -0.19 -1.98 0.16 0.00 -1.46 0.00 0.00 37.83 34.36 1fwn s LYS 1041CO 0.20 0.53 1.04 0.45 0.16 0.00 0.00 175.35 177.73 1fwn s SER 1042N -0.88 -0.41 0.01 1.43 0.15 -1.19 -3.22 113.70 109.58 1fwn s SER 1042Ca 0.11 0.64 -0.30 0.00 0.70 0.00 0.00 55.95 57.10 1fwn s SER 1042Cb -0.10 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.39 1fwn s SER 1042CO 0.00 -0.10 0.97 -0.44 1.20 0.00 0.00 173.24 174.87 1fwn s SER 1043N 1.39 7.37 0.18 5.45 0.01 -0.39 -4.66 113.70 123.05 1fwn s SER 1043Ca -0.08 1.65 0.26 0.00 1.31 0.00 0.00 55.95 59.10 1fwn s SER 1043Cb -0.03 -2.57 0.88 0.00 0.21 0.00 0.00 66.02 64.51 1fwn s SER 1043CO -0.14 -0.24 1.79 2.22 0.41 0.00 0.00 173.24 177.28 1fwn n PHE 1044N 3.81 0.79 -3.67 2.43 1.16 -1.26 -1.37 117.46 119.35 1fwn n PHE 1044Ca 0.05 0.24 -0.10 0.00 -1.87 0.00 0.00 57.45 55.77 1fwn n PHE 1044Cb 0.51 -0.88 -0.09 0.00 -1.61 0.00 0.00 39.48 37.41 1fwn n PHE 1044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fwn s ASP 1045N -4.30 -0.71 -0.83 5.98 2.15 -1.26 -3.94 116.67 113.77 1fwn s ASP 1045Ca 0.11 1.21 -0.14 0.00 0.43 0.00 0.00 52.55 54.15 1fwn s ASP 1045Cb 0.13 1.12 0.22 0.00 -0.30 0.00 0.00 42.92 44.09 1fwn s ASP 1045CO 0.57 -0.21 0.77 -0.54 -0.17 0.00 0.00 175.17 175.59 1fwn s LYS 1046N 1.20 3.61 0.00 4.34 -0.14 0.26 -4.88 119.74 124.12 1fwn s LYS 1046Ca -0.07 -2.47 0.29 0.00 -1.36 0.00 0.00 55.97 52.36 1fwn s LYS 1046Cb -0.06 -4.43 1.28 0.00 -1.68 0.00 0.00 37.83 32.94 1fwn s LYS 1046CO -0.12 -1.29 1.88 0.00 -0.76 0.00 0.00 175.35 175.06 1fwn n ALA 1047N 3.97 2.71 -1.43 5.17 0.00 -1.26 -4.06 120.51 125.61 1fwn n ALA 1047Ca 0.14 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1fwn n ALA 1047Cb 0.47 -1.30 0.12 0.00 0.00 0.00 0.00 19.45 18.74 1fwn n ALA 1047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fwn n ASN 1048N -0.57 1.72 -4.51 0.00 2.04 -1.26 -5.08 115.26 107.60 1fwn n ASN 1048Ca 0.18 -2.99 -0.37 0.00 -0.44 0.00 0.00 54.58 50.96 1fwn n ASN 1048Cb 0.27 -0.40 0.06 0.00 -2.53 0.00 0.00 39.78 37.18 1fwn n ASN 1048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1fwn n ARG 1049N -1.00 0.47 -0.09 -3.83 5.12 -1.26 -4.90 116.66 111.17 1fwn n ARG 1049Ca 0.13 0.20 -0.13 0.00 -1.93 0.00 0.00 57.85 56.12 1fwn n ARG 1049Cb 0.69 -1.92 -0.05 0.00 -1.16 0.00 0.00 32.46 30.02 1fwn n ARG 1049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1fwn h SER 1050N -0.10 0.74 -3.06 0.55 0.02 -1.98 -3.44 113.55 106.27 1fwn h SER 1050Ca -0.46 -0.48 -0.67 0.00 -0.84 0.00 0.00 61.79 59.34 1fwn h SER 1050Cb 1.36 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 1fwn h SER 1050CO 0.45 1.07 -0.57 -0.55 -1.14 0.00 0.00 176.83 176.10 1fwn s SER 1051N -6.55 5.72 0.58 3.07 0.15 -1.26 -4.98 113.70 110.43 1fwn s SER 1051Ca -0.12 0.23 0.38 0.00 0.70 0.00 0.00 55.95 57.13 1fwn s SER 1051Cb 0.08 -1.69 1.82 0.00 -1.71 0.00 0.00 66.02 64.52 1fwn s SER 1051CO 0.83 0.34 2.14 -0.29 1.20 0.00 0.00 173.24 177.46 1fwn h ILE 1052N 3.71 0.00 -0.01 6.45 6.09 -2.02 -2.35 117.51 129.39 1fwn h ILE 1052Ca -0.51 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 1fwn h ILE 1052Cb 1.20 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.72 1fwn h ILE 1052CO 0.59 0.00 -0.22 1.41 -3.07 0.00 0.00 178.15 176.86 1fwn n HIS 1053N -3.02 0.00 -2.07 2.19 8.25 -1.26 -4.94 115.22 114.37 1fwn n HIS 1053Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 1fwn n HIS 1053Cb 0.19 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.17 1fwn n HIS 1053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fwn s SER 1054N -2.49 6.26 0.33 0.41 0.01 -0.89 -5.02 113.70 112.31 1fwn s SER 1054Ca 0.25 1.31 -0.29 0.00 1.31 0.00 0.00 55.95 58.54 1fwn s SER 1054Cb 0.19 -2.42 -0.11 0.00 0.21 0.00 0.00 66.02 63.90 1fwn s SER 1054CO 0.51 -0.79 1.42 0.12 0.41 0.00 0.00 173.24 174.90 1fwn s PHE 1055N -3.05 2.85 -0.04 2.43 5.36 -1.26 -4.94 117.98 119.32 1fwn s PHE 1055Ca 0.53 1.22 -0.02 0.00 -0.96 0.00 0.00 56.93 57.70 1fwn s PHE 1055Cb -0.11 -3.86 -0.02 0.00 -0.34 0.00 0.00 43.02 38.69 1fwn s PHE 1055CO 0.51 -2.53 -0.05 0.54 -1.46 0.00 0.00 175.22 172.22 1fwn n ARG 1056N 1.01 0.09 -1.91 10.12 1.74 -1.26 -4.74 116.66 121.71 1fwn n ARG 1056Ca 0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1fwn n ARG 1056Cb 0.40 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 1fwn n ARG 1056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwn n GLY 1057N 2.84 -0.64 1.30 -0.13 0.00 -1.26 -0.58 105.19 106.72 1fwn n GLY 1057Ca -0.08 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1fwn n GLY 1057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwn n HIS 1058N 1.92 1.40 0.00 1.61 8.25 -1.26 -5.04 115.22 122.10 1fwn n HIS 1058Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 57.72 56.65 1fwn n HIS 1058Cb 0.00 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1fwn n HIS 1058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fwn n GLY 1059N -0.02 1.48 0.25 -1.41 0.00 -1.25 -4.44 105.19 99.80 1fwn n GLY 1059Ca 0.24 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 1fwn n GLY 1059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fwn h LEU 1060N 0.00 -0.53 -0.14 0.99 7.12 -1.98 -2.04 115.31 118.73 1fwn h LEU 1060Ca 0.00 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1fwn h LEU 1060Cb 0.00 0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.23 1fwn h LEU 1060CO 0.00 -0.33 -0.42 -0.33 -0.13 0.00 0.00 178.44 177.23 1fwn h GLU 1061N -0.51 -0.47 -0.19 1.25 5.08 -1.98 -0.35 114.58 117.41 1fwn h GLU 1061Ca -0.03 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1fwn h GLU 1061Cb 0.43 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1fwn h GLU 1061CO 0.02 -0.31 -0.09 -0.92 -1.00 0.00 0.00 179.01 176.71 1fwn h TYR 1062N -0.49 -0.21 -0.27 4.33 3.20 -1.77 -1.67 116.97 120.10 1fwn h TYR 1062Ca 0.08 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1fwn h TYR 1062Cb 0.62 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1fwn h TYR 1062CO -0.49 -0.14 0.11 0.78 -1.64 0.00 0.00 178.16 176.78 1fwn h GLY 1063N -0.07 0.35 1.26 1.82 0.00 -0.92 0.61 103.07 106.12 1fwn h GLY 1063Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1fwn h GLY 1063CO -0.24 0.05 0.30 -2.08 0.00 0.00 0.00 176.54 174.57 1fwn h VAL 1064N 0.25 1.22 -0.59 4.60 2.07 -0.94 0.15 116.25 123.00 1fwn h VAL 1064Ca 0.12 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1fwn h VAL 1064Cb 0.06 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1fwn h VAL 1064CO -0.10 0.27 0.06 0.50 0.02 0.00 0.00 177.57 178.32 1fwn h LYS 1065N 0.94 1.01 -0.31 1.57 3.64 -0.78 0.11 116.57 122.76 1fwn h LYS 1065Ca 0.23 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1fwn h LYS 1065Cb 0.13 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1fwn h LYS 1065CO -0.03 0.97 -0.03 0.00 -2.27 0.00 0.00 179.45 178.09 1fwn h ALA 1066N 1.00 0.42 -0.56 5.00 0.00 -0.18 -1.90 119.26 123.04 1fwn h ALA 1066Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1fwn h ALA 1066Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1fwn h ALA 1066CO 0.02 0.20 0.24 -0.07 0.00 0.00 0.00 179.25 179.63 1fwn h LEU 1067N 0.34 0.72 -0.61 0.00 3.38 -0.55 -2.05 115.31 116.54 1fwn h LEU 1067Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fwn h LEU 1067Cb 0.49 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1fwn h LEU 1067CO 0.02 0.64 0.39 0.03 0.09 0.00 0.00 178.44 179.61 1fwn h ARG 1068N 0.79 0.82 -0.58 1.13 3.08 -0.46 -1.59 114.38 117.57 1fwn h ARG 1068Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1fwn h ARG 1068Cb 0.13 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1fwn h ARG 1068CO -0.02 0.56 0.36 -0.22 -1.07 0.00 0.00 179.97 179.58 1fwn h LYS 1069N 0.83 0.78 -0.13 0.04 1.63 -0.72 0.69 116.57 119.68 1fwn h LYS 1069Ca 0.22 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1fwn h LYS 1069Cb -0.07 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 1fwn h LYS 1069CO -0.05 0.54 0.04 0.28 -3.45 0.00 0.00 179.45 176.82 1fwn h VAL 1070N 0.78 0.97 -0.69 2.00 2.07 -0.95 0.40 116.25 120.83 1fwn h VAL 1070Ca 0.21 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 1fwn h VAL 1070Cb -0.04 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1fwn h VAL 1070CO -0.04 0.02 0.32 0.50 0.02 0.00 0.00 177.57 178.39 1fwn h LYS 1071N 0.11 1.00 -0.04 1.57 3.64 -1.03 -0.49 116.57 121.32 1fwn h LYS 1071Ca 0.06 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1fwn h LYS 1071Cb 0.03 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1fwn h LYS 1071CO -0.06 0.80 -0.01 1.49 -2.27 0.00 0.00 179.45 179.39 1fwn h GLU 1072N 0.96 0.09 0.00 1.90 4.81 -0.55 0.48 114.58 122.26 1fwn h GLU 1072Ca 0.23 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1fwn h GLU 1072Cb 0.14 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1fwn h GLU 1072CO -0.03 0.44 -0.55 1.49 -0.73 0.00 0.00 179.01 179.64 1fwn h GLU 1073N -0.27 0.00 0.00 1.92 4.81 -0.16 -3.36 114.58 117.52 1fwn h GLU 1073Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fwn h GLU 1073Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1fwn h GLU 1073CO 0.00 0.55 0.00 1.19 -0.73 0.00 0.00 179.01 180.02 1fwn n PHE 1074N -3.77 0.00 -2.47 0.92 3.72 -0.20 -5.01 117.46 110.65 1fwn n PHE 1074Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1fwn n PHE 1074Cb 0.58 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.12 1fwn n PHE 1074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fwn n GLY 1075N 0.88 -0.14 3.86 1.37 0.00 0.17 -4.99 105.19 106.33 1fwn n GLY 1075Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1fwn n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwn s LEU 1076N -4.13 4.43 0.68 0.99 1.02 -1.23 -5.04 118.68 115.41 1fwn s LEU 1076Ca 0.09 0.74 -0.14 0.00 0.02 0.00 0.00 54.13 54.83 1fwn s LEU 1076Cb -0.04 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.76 1fwn s LEU 1076CO 0.11 0.34 1.11 -0.54 0.02 0.00 0.00 176.35 177.39 1fwn s LYS 1077N -1.16 2.66 0.06 1.70 1.02 -1.26 -4.36 119.74 118.40 1fwn s LYS 1077Ca 0.21 1.39 0.07 0.00 0.02 0.00 0.00 55.97 57.66 1fwn s LYS 1077Cb -0.15 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1fwn s LYS 1077CO 0.10 -1.36 -0.19 0.42 -0.92 0.00 0.00 175.35 173.40 1fwn s ILE 1078N -2.39 1.57 -0.07 2.17 -1.09 -1.26 -0.83 121.20 119.30 1fwn s ILE 1078Ca 0.67 -1.25 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1fwn s ILE 1078Cb -0.21 -1.39 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1fwn s ILE 1078CO 0.44 0.10 0.19 0.28 -1.23 0.00 0.00 174.94 174.71 1fwn s THR 1079N -0.91 -0.00 0.15 2.92 -1.32 -0.48 0.43 115.64 116.43 1fwn s THR 1079Ca 0.06 0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 1fwn s THR 1079Cb -0.09 -0.27 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1fwn s THR 1079CO 0.02 0.00 0.38 0.28 -2.21 0.00 0.00 174.62 173.09 1fwn s THR 1080N 0.15 0.07 0.07 5.08 -1.32 -1.21 -3.19 115.64 115.29 1fwn s THR 1080Ca -0.00 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 1fwn s THR 1080Cb -0.02 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 1fwn s THR 1080CO -0.00 -0.31 0.17 1.51 -2.21 0.00 0.00 174.62 173.78 1fwn s ASP 1081N -2.86 6.11 0.20 8.08 -4.77 -1.26 -1.40 116.67 120.77 1fwn s ASP 1081Ca 0.08 0.18 0.09 0.00 -3.30 0.00 0.00 52.55 49.59 1fwn s ASP 1081Cb 0.02 -1.81 -0.04 0.00 -1.09 0.00 0.00 42.92 39.99 1fwn s ASP 1081CO -0.07 0.16 -0.04 0.27 0.70 0.00 0.00 175.17 176.19 1fwn s ILE 1082N -1.49 3.44 0.00 2.11 -4.36 -0.95 -4.77 121.20 115.18 1fwn s ILE 1082Ca 0.33 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1fwn s ILE 1082Cb -0.13 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1fwn s ILE 1082CO 0.26 -0.18 0.00 1.41 0.24 0.00 0.00 174.94 176.67 1fwn n HIS 1083N -0.26 0.00 -3.91 1.37 8.25 -1.26 -4.41 115.22 115.00 1fwn n HIS 1083Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1fwn n HIS 1083Cb 0.56 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 1fwn n HIS 1083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fwn s GLU 1084N -1.33 0.51 0.29 -0.41 2.02 -1.26 -5.07 118.70 113.45 1fwn s GLU 1084Ca 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1fwn s GLU 1084Cb 0.00 0.20 0.68 0.00 0.10 0.00 0.00 34.13 35.12 1fwn s GLU 1084CO 0.00 -0.12 1.73 0.77 0.02 0.00 0.00 175.26 177.66 1fwn h SER 1085N 4.06 0.46 0.07 -0.19 0.02 -1.91 -1.90 113.55 114.16 1fwn h SER 1085Ca -0.32 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1fwn h SER 1085Cb 1.19 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1fwn h SER 1085CO 0.45 0.10 -0.01 4.11 -1.14 0.00 0.00 176.83 180.34 1fwn h TRP 1086N 0.51 0.00 0.00 3.45 5.08 -1.97 -2.58 115.95 120.44 1fwn h TRP 1086Ca 0.54 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.51 1fwn h TRP 1086Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1fwn h TRP 1086CO -0.10 0.01 0.00 1.96 -1.28 0.00 0.00 178.44 179.03 1fwn h GLN 1087N 0.00 0.00 -0.35 0.12 4.20 -1.77 -3.35 115.11 113.96 1fwn h GLN 1087Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1fwn h GLN 1087Cb 0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1fwn h GLN 1087CO 0.00 0.00 0.08 0.00 -0.67 0.00 0.00 178.83 178.24 1fwn h ALA 1088N 2.21 0.38 0.59 3.87 0.00 -1.60 -1.81 119.26 122.89 1fwn h ALA 1088Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1fwn h ALA 1088Cb 0.77 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1fwn h ALA 1088CO 0.00 -0.33 -0.28 1.49 0.00 0.00 0.00 179.25 180.13 1fwn h GLU 1089N 0.20 -0.76 -0.65 0.00 4.81 -1.79 0.76 114.58 117.15 1fwn h GLU 1089Ca 0.16 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1fwn h GLU 1089Cb 0.18 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1fwn h GLU 1089CO -0.21 -0.48 0.34 -1.35 -0.73 0.00 0.00 179.01 176.59 1fwn h PRO 1090N -0.87 0.60 -0.38 0.92 0.11 -1.75 -2.49 132.00 128.16 1fwn h PRO 1090Ca -0.08 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 1fwn h PRO 1090Cb 0.63 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1fwn h PRO 1090CO 0.13 0.40 -0.24 0.28 -0.21 0.00 0.00 178.00 178.36 1fwn h VAL 1091N 0.62 1.27 0.00 3.15 2.07 -1.29 -2.84 116.25 119.24 1fwn h VAL 1091Ca 0.30 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1fwn h VAL 1091Cb 0.24 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1fwn h VAL 1091CO -0.21 0.45 0.05 0.00 0.02 0.00 0.00 177.57 177.88 1fwn h ALA 1092N 1.07 1.05 0.00 1.67 0.00 -0.36 -0.79 119.26 121.91 1fwn h ALA 1092Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fwn h ALA 1092Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1fwn h ALA 1092CO 0.06 -0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.19 1fwn h GLU 1093N 0.00 0.00 0.00 0.00 5.08 -1.45 -3.35 114.58 114.86 1fwn h GLU 1093Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fwn h GLU 1093Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1fwn h GLU 1093CO 0.00 0.00 -0.74 1.55 -1.00 0.00 0.00 179.01 178.82 1fwn n VAL 1094N -3.02 0.00 -2.52 3.13 3.14 -0.51 -5.05 118.33 113.49 1fwn n VAL 1094Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1fwn n VAL 1094Cb 0.26 -0.52 -0.03 0.00 -1.06 0.00 0.00 33.84 32.49 1fwn n VAL 1094CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fwn s ALA 1095N -1.74 3.41 -0.03 1.55 0.00 -0.42 -4.55 121.76 119.99 1fwn s ALA 1095Ca 0.00 0.61 0.11 0.00 0.00 0.00 0.00 51.96 52.69 1fwn s ALA 1095Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1fwn s ALA 1095CO 0.00 -0.60 1.35 -0.44 0.00 0.00 0.00 175.76 176.07 1fwn h ASP 1096N 7.18 0.00 -3.31 0.00 3.32 -0.35 -3.44 116.42 119.82 1fwn h ASP 1096Ca -0.36 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.21 1fwn h ASP 1096Cb 1.18 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.37 1fwn h ASP 1096CO 0.84 0.73 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.68 1fwn s ILE 1097N -2.84 0.83 -0.22 0.35 1.01 -0.89 -2.15 121.20 117.30 1fwn s ILE 1097Ca 0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 1fwn s ILE 1097Cb 0.09 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1fwn s ILE 1097CO 0.78 0.32 0.39 -0.63 0.00 0.00 0.00 174.94 175.80 1fwn s ILE 1098N 1.33 5.19 -0.10 2.92 1.01 0.68 -3.35 121.20 128.90 1fwn s ILE 1098Ca -0.03 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 61.17 1fwn s ILE 1098Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1fwn s ILE 1098CO -0.03 0.23 0.30 -1.58 0.00 0.00 0.00 174.94 173.86 1fwn s GLN 1099N 1.46 3.97 -0.24 2.79 0.74 -0.49 -0.96 119.66 126.92 1fwn s GLN 1099Ca 0.18 0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.68 1fwn s GLN 1099Cb -0.15 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1fwn s GLN 1099CO 0.08 0.51 0.06 0.42 -0.55 0.00 0.00 175.29 175.81 1fwn s ILE 1100N -0.37 4.28 0.57 -2.34 -1.09 0.57 -2.25 121.20 120.57 1fwn s ILE 1100Ca 0.19 -0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 58.22 1fwn s ILE 1100Cb -0.14 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1fwn s ILE 1100CO 0.07 0.35 1.14 -2.65 -1.23 0.00 0.00 174.94 172.63 1fwn n PRO 1101N 4.79 1.25 -0.21 2.79 -0.02 -1.26 -1.28 135.00 141.05 1fwn n PRO 1101Ca -0.16 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1fwn n PRO 1101Cb 0.51 -2.33 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 1fwn n PRO 1101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fwn h ALA 1102N 0.94 0.84 0.00 3.55 0.00 -1.89 -1.08 119.26 121.62 1fwn h ALA 1102Ca -0.49 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1fwn h ALA 1102Cb 1.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1fwn h ALA 1102CO 0.54 -0.08 -0.13 0.74 0.00 0.00 0.00 179.25 180.32 1fwn h PHE 1103N 0.54 0.00 -0.61 0.00 0.04 -1.92 -2.99 116.94 112.02 1fwn h PHE 1103Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1fwn h PHE 1103Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1fwn h PHE 1103CO -0.12 0.13 0.00 1.28 -0.60 0.00 0.00 178.31 179.00 1fwn n LEU 1104N -3.50 4.39 0.00 1.54 4.77 -0.46 -4.59 117.00 119.15 1fwn n LEU 1104Ca -0.01 -2.37 0.05 0.00 -0.03 0.00 0.00 56.01 53.65 1fwn n LEU 1104Cb 0.28 -0.53 0.21 0.00 -2.33 0.00 0.00 43.42 41.05 1fwn n LEU 1104CO 0.30 0.83 0.64 0.00 -1.33 0.00 0.00 177.39 177.83 1fwn n ARG 1106N -1.46 1.22 -2.40 0.00 5.12 -1.26 -4.91 116.66 112.97 1fwn n ARG 1106Ca 0.03 -0.98 -0.39 0.00 -1.93 0.00 0.00 57.85 54.57 1fwn n ARG 1106Cb 0.10 -1.19 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 1fwn n ARG 1106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1fwn s GLN 1107N -1.20 3.09 0.22 5.56 -1.52 -0.88 -4.90 119.66 120.03 1fwn s GLN 1107Ca 0.12 -0.22 -0.11 0.00 -1.95 0.00 0.00 55.36 53.20 1fwn s GLN 1107Cb 0.10 -4.52 0.30 0.00 -0.22 0.00 0.00 33.01 28.67 1fwn s GLN 1107CO 0.21 -2.39 1.64 1.15 -0.25 0.00 0.00 175.29 175.64 1fwn h THR 1108N 6.47 0.40 -0.32 -0.19 2.02 -1.91 -1.95 112.91 117.43 1fwn h THR 1108Ca -0.15 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1fwn h THR 1108Cb 1.06 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1fwn h THR 1108CO 1.29 0.01 -0.01 0.44 0.37 0.00 0.00 175.52 177.62 1fwn h ASP 1109N 0.06 0.46 -0.20 4.18 3.32 -1.98 -0.67 116.42 121.59 1fwn h ASP 1109Ca 0.33 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1fwn h ASP 1109Cb 0.54 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1fwn h ASP 1109CO -0.62 0.53 -0.12 0.25 -1.72 0.00 0.00 179.24 177.57 1fwn h LEU 1110N 0.47 0.44 -0.44 1.55 5.85 -1.74 0.53 115.31 121.97 1fwn h LEU 1110Ca 0.10 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1fwn h LEU 1110Cb 0.32 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1fwn h LEU 1110CO 0.01 0.78 0.26 -0.07 -0.34 0.00 0.00 178.44 179.08 1fwn h LEU 1111N 0.11 0.54 -0.80 2.25 3.38 -1.26 -1.70 115.31 117.85 1fwn h LEU 1111Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1fwn h LEU 1111Cb 0.62 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1fwn h LEU 1111CO 0.03 0.45 0.19 -0.07 0.09 0.00 0.00 178.44 179.14 1fwn h LEU 1112N 0.59 1.03 -0.90 1.67 4.07 -1.06 -0.55 115.31 120.17 1fwn h LEU 1112Ca 0.16 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1fwn h LEU 1112Cb 0.02 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.45 1fwn h LEU 1112CO -0.03 0.97 0.45 0.00 -1.08 0.00 0.00 178.44 178.76 1fwn h ALA 1113N 1.16 1.15 -0.14 1.53 0.00 -0.54 -2.48 119.26 119.93 1fwn h ALA 1113Ca 0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1fwn h ALA 1113Cb 0.33 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fwn h ALA 1113CO -0.00 0.67 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 1fwn h ALA 1114N 1.26 0.21 -0.77 0.00 0.00 -0.98 -3.29 119.26 115.69 1fwn h ALA 1114Ca 0.31 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1fwn h ALA 1114Cb 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1fwn h ALA 1114CO -0.04 0.12 0.50 0.00 0.00 0.00 0.00 179.25 179.83 1fwn h ALA 1115N 0.59 1.66 0.00 0.00 0.00 -0.88 -2.50 119.26 118.13 1fwn h ALA 1115Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fwn h ALA 1115Cb 0.72 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fwn h ALA 1115CO 0.04 0.22 0.00 0.36 0.00 0.00 0.00 179.25 179.87 1fwn n LYS 1116N -4.48 0.11 0.22 0.00 2.85 -0.95 -2.98 118.16 112.93 1fwn n LYS 1116Ca 0.11 0.09 0.15 0.00 -1.05 0.00 0.00 58.31 57.61 1fwn n LYS 1116Cb 0.22 -1.50 0.48 0.00 -0.65 0.00 0.00 35.03 33.59 1fwn n LYS 1116CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1fwn h THR 1117N 0.00 0.00 0.00 0.58 1.35 -1.56 -3.46 112.91 109.82 1fwn h THR 1117Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1fwn h THR 1117Cb 0.34 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1fwn h THR 1117CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1fwn n GLY 1118N 0.46 1.41 3.89 5.82 0.00 -1.16 -5.04 105.19 110.58 1fwn n GLY 1118Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1fwn n GLY 1118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwn s ARG 1119N -0.39 3.19 0.64 1.61 1.81 -1.26 -4.90 118.95 119.66 1fwn s ARG 1119Ca 0.00 0.44 -0.15 0.00 -1.72 0.00 0.00 55.73 54.30 1fwn s ARG 1119Cb 0.00 -2.13 -0.01 0.00 -0.45 0.00 0.00 34.95 32.36 1fwn s ARG 1119CO 0.00 -0.73 1.10 0.00 -0.68 0.00 0.00 175.30 174.99 1fwn s ALA 1120N -3.16 2.55 -0.06 2.13 0.00 -0.91 -4.75 121.76 117.54 1fwn s ALA 1120Ca 0.55 0.51 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1fwn s ALA 1120Cb -0.11 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1fwn s ALA 1120CO 0.51 -1.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.10 1fwn s VAL 1121N -2.37 0.97 -0.21 0.00 1.01 -0.36 -0.23 120.40 119.22 1fwn s VAL 1121Ca 0.66 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1fwn s VAL 1121Cb -0.19 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1fwn s VAL 1121CO 0.40 0.32 -0.13 0.21 0.00 0.00 0.00 175.10 175.90 1fwn s ASN 1122N 0.78 3.75 -0.24 3.32 2.47 -0.14 -0.76 114.94 124.13 1fwn s ASN 1122Ca -0.13 -0.72 -0.08 0.00 0.42 0.00 0.00 52.86 52.35 1fwn s ASN 1122Cb -0.15 -1.58 -0.04 0.00 -1.45 0.00 0.00 41.25 38.03 1fwn s ASN 1122CO 0.02 -0.05 0.10 -0.69 -3.72 0.00 0.00 177.10 172.76 1fwn s VAL 1123N 1.32 4.71 -0.02 -5.21 1.01 -0.04 -0.31 120.40 121.86 1fwn s VAL 1123Ca 0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1fwn s VAL 1123Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1fwn s VAL 1123CO -0.08 0.35 1.18 -0.54 0.00 0.00 0.00 175.10 176.01 1fwn s LYS 1124N 1.29 4.39 -0.05 2.72 -0.14 -0.40 -0.73 119.74 126.81 1fwn s LYS 1124Ca 0.06 1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1fwn s LYS 1124Cb -0.15 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1fwn s LYS 1124CO 0.05 -0.35 1.50 0.21 -0.76 0.00 0.00 175.35 175.99 1fwn s LYS 1125N 1.76 4.22 0.49 1.68 2.20 0.03 -3.95 119.74 126.17 1fwn s LYS 1125Ca 0.56 2.02 -0.23 0.00 -0.36 0.00 0.00 55.97 57.97 1fwn s LYS 1125Cb -0.26 -3.79 -0.08 0.00 -1.51 0.00 0.00 37.83 32.20 1fwn s LYS 1125CO 0.25 -0.73 1.14 0.41 -0.36 0.00 0.00 175.35 176.06 1fwn n GLY 1126N 3.87 0.18 0.07 5.54 0.00 -1.24 -4.55 105.19 109.05 1fwn n GLY 1126Ca 0.15 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1fwn n GLY 1126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fwn n GLN 1127N -0.42 0.08 0.00 1.61 3.00 -1.26 -1.40 117.38 118.98 1fwn n GLN 1127Ca 0.10 0.46 0.10 0.00 -0.01 0.00 0.00 57.00 57.65 1fwn n GLN 1127Cb 0.42 -1.69 -0.05 0.00 0.00 0.00 0.00 30.24 28.92 1fwn n GLN 1127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fwn n PHE 1128N -1.85 0.00 -3.37 1.08 -1.74 -1.26 -1.68 117.46 108.64 1fwn n PHE 1128Ca 0.01 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.53 1fwn n PHE 1128Cb 0.09 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.03 1fwn n PHE 1128CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1fwn s LEU 1129N -2.61 4.45 0.36 5.98 2.96 -0.49 -5.06 118.68 124.26 1fwn s LEU 1129Ca 0.14 1.11 -0.09 0.00 -0.22 0.00 0.00 54.13 55.06 1fwn s LEU 1129Cb 0.16 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.85 1fwn s LEU 1129CO 0.65 0.23 0.70 0.00 -1.32 0.00 0.00 176.35 176.61 1fwn s ALA 1130N -1.23 3.43 0.21 5.97 0.00 -1.26 -4.89 121.76 123.99 1fwn s ALA 1130Ca 0.31 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1fwn s ALA 1130Cb -0.17 -2.58 0.29 0.00 0.00 0.00 0.00 23.12 20.66 1fwn s ALA 1130CO 0.18 0.09 1.74 -1.35 0.00 0.00 0.00 175.76 176.41 1fwn h PRO 1131N 1.44 0.38 0.00 0.00 0.11 -1.98 -0.92 132.00 131.03 1fwn h PRO 1131Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1fwn h PRO 1131Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fwn h PRO 1131CO 0.65 0.25 0.00 0.11 -0.21 0.00 0.00 178.00 178.80 1fwn h TRP 1132N 0.39 0.00 0.00 0.65 0.09 -1.94 -2.51 115.95 112.63 1fwn h TRP 1132Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.29 1fwn h TRP 1132Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 1fwn h TRP 1132CO -0.18 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.10 1fwn n ASP 1133N -2.63 0.00 0.07 0.11 8.00 -0.35 -2.83 116.55 118.92 1fwn n ASP 1133Ca 0.01 0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.90 1fwn n ASP 1133Cb 0.23 -0.40 0.37 0.00 -0.02 0.00 0.00 41.12 41.30 1fwn n ASP 1133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fwn n THR 1134N -1.40 0.39 -0.33 -3.53 -2.24 -0.94 -3.66 114.28 102.57 1fwn n THR 1134Ca 0.07 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1fwn n THR 1134Cb 0.20 -0.39 0.14 0.00 -2.10 0.00 0.00 70.33 68.18 1fwn n THR 1134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fwn h LYS 1135N 0.00 1.02 0.00 -0.78 3.64 -1.73 -1.56 116.57 117.15 1fwn h LYS 1135Ca 0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1fwn h LYS 1135Cb 0.68 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1fwn h LYS 1135CO 0.00 0.67 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.48 1fwn h ASN 1136N 1.05 0.00 -0.26 4.20 2.35 -1.81 -1.80 115.58 119.31 1fwn h ASN 1136Ca 0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 1fwn h ASN 1136Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1fwn h ASN 1136CO -0.16 0.46 0.05 0.58 -1.65 0.00 0.00 177.43 176.71 1fwn h VAL 1137N 0.00 1.22 -0.61 2.81 2.07 -1.46 -1.46 116.25 118.83 1fwn h VAL 1137Ca -0.00 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1fwn h VAL 1137Cb 0.89 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1fwn h VAL 1137CO 0.06 0.24 0.08 0.58 0.02 0.00 0.00 177.57 178.55 1fwn h VAL 1138N 0.25 1.25 -0.54 2.57 2.07 -1.23 -2.43 116.25 118.19 1fwn h VAL 1138Ca 0.08 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1fwn h VAL 1138Cb 0.31 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1fwn h VAL 1138CO 0.00 0.37 0.34 -0.08 0.02 0.00 0.00 177.57 178.23 1fwn h GLU 1139N 0.93 0.66 -0.63 1.57 4.81 -1.09 0.34 114.58 121.18 1fwn h GLU 1139Ca 0.19 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1fwn h GLU 1139Cb 0.43 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1fwn h GLU 1139CO 0.01 0.44 0.38 0.87 -0.73 0.00 0.00 179.01 179.99 1fwn h LYS 1140N 0.68 0.72 -0.27 1.92 1.57 -0.97 0.72 116.57 120.94 1fwn h LYS 1140Ca 0.21 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1fwn h LYS 1140Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1fwn h LYS 1140CO -0.07 0.48 0.06 -0.07 -0.57 0.00 0.00 179.45 179.28 1fwn h LEU 1141N 0.75 0.42 -0.86 2.94 3.38 -0.92 -0.64 115.31 120.37 1fwn h LEU 1141Ca 0.26 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1fwn h LEU 1141Cb 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1fwn h LEU 1141CO -0.12 0.55 0.33 0.11 0.09 0.00 0.00 178.44 179.40 1fwn h LYS 1142N 0.27 1.16 -0.65 1.13 1.57 -0.68 -0.37 116.57 119.00 1fwn h LYS 1142Ca 0.09 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1fwn h LYS 1142Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1fwn h LYS 1142CO 0.00 0.93 0.42 0.35 -0.57 0.00 0.00 179.45 180.58 1fwn h PHE 1143N 1.13 0.82 -0.05 -1.35 3.57 -0.64 -1.43 116.94 119.00 1fwn h PHE 1143Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1fwn h PHE 1143Cb 0.19 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1fwn h PHE 1143CO 0.02 0.53 0.00 0.41 -2.23 0.00 0.00 178.31 177.03 1fwn n GLY 1144N -1.41 -0.56 0.57 2.40 0.00 -0.26 -4.91 105.19 101.02 1fwn n GLY 1144Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1fwn n GLY 1144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwn n GLY 1145N 0.95 0.81 3.70 -0.02 0.00 -0.54 -3.27 105.19 106.83 1fwn n GLY 1145Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1fwn n GLY 1145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwn s ALA 1146N -2.14 3.42 -0.28 4.61 0.00 -0.28 -4.85 121.76 122.25 1fwn s ALA 1146Ca 0.00 0.75 0.16 0.00 0.00 0.00 0.00 51.96 52.87 1fwn s ALA 1146Cb 0.00 -3.47 -0.22 0.00 0.00 0.00 0.00 23.12 19.43 1fwn s ALA 1146CO 0.00 -0.56 0.47 1.63 0.00 0.00 0.00 175.76 177.30 1fwn n LYS 1147N 4.44 0.97 -3.87 0.00 5.02 -1.26 -4.34 118.16 119.12 1fwn n LYS 1147Ca 0.10 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1fwn n LYS 1147Cb 0.46 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1fwn n LYS 1147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fwn s GLU 1148N -2.89 1.24 -0.06 1.97 2.12 -1.26 -5.11 118.70 114.71 1fwn s GLU 1148Ca -0.02 -1.01 0.06 0.00 0.36 0.00 0.00 54.97 54.36 1fwn s GLU 1148Cb 0.11 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.05 1fwn s GLU 1148CO 0.66 -0.73 -0.24 0.42 -0.54 0.00 0.00 175.26 174.84 1fwn s ILE 1149N 1.47 1.96 0.06 -3.70 1.01 -1.26 -1.22 121.20 119.52 1fwn s ILE 1149Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1fwn s ILE 1149Cb -0.18 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1fwn s ILE 1149CO -0.11 0.55 -0.22 -0.31 0.00 0.00 0.00 174.94 174.85 1fwn s TYR 1150N -0.08 1.93 -0.12 3.97 1.51 0.06 -2.83 117.35 121.79 1fwn s TYR 1150Ca -0.05 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1fwn s TYR 1150Cb -0.14 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1fwn s TYR 1150CO 0.04 0.14 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.89 1fwn s LEU 1151N -1.39 2.18 -0.21 -1.29 1.43 -0.25 -0.86 118.68 118.29 1fwn s LEU 1151Ca 0.08 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1fwn s LEU 1151Cb -0.09 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1fwn s LEU 1151CO 0.03 0.13 -0.00 -0.89 0.23 0.00 0.00 176.35 175.84 1fwn s THR 1152N 0.55 3.85 -0.14 5.49 2.01 0.09 -0.51 115.64 126.97 1fwn s THR 1152Ca -0.13 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1fwn s THR 1152Cb -0.17 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 1fwn s THR 1152CO 0.04 0.42 1.05 -0.70 -0.69 0.00 0.00 174.62 174.74 1fwn s GLU 1153N 1.15 4.35 -0.03 4.92 2.56 0.70 -0.79 118.70 131.55 1fwn s GLU 1153Ca 0.03 1.43 0.14 0.00 0.00 0.00 0.00 54.97 56.56 1fwn s GLU 1153Cb -0.14 -3.59 0.25 0.00 2.00 0.00 0.00 34.13 32.64 1fwn s GLU 1153CO 0.01 -0.46 1.11 2.89 -0.56 0.00 0.00 175.26 178.25 1fwn n ARG 1154N 5.56 0.29 0.00 4.30 -4.01 -1.26 -1.05 116.66 120.49 1fwn n ARG 1154Ca 0.10 -1.80 0.00 0.00 -1.04 0.00 0.00 57.85 55.12 1fwn n ARG 1154Cb 0.47 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.38 1fwn n ARG 1154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fwn n GLY 1155N -0.06 1.47 3.17 2.89 0.00 -1.26 -3.80 105.19 107.60 1fwn n GLY 1155Ca 0.06 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1fwn n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fwn s THR 1156N -2.96 1.24 0.04 2.61 2.01 0.14 -4.37 115.64 114.36 1fwn s THR 1156Ca 0.00 -1.06 -0.34 0.00 0.31 0.00 0.00 61.69 60.60 1fwn s THR 1156Cb 0.00 -1.12 -0.13 0.00 0.01 0.00 0.00 72.50 71.26 1fwn s THR 1156CO 0.00 0.04 1.71 0.41 -0.69 0.00 0.00 174.62 176.09 1fwn n THR 1157N 1.85 0.27 -3.58 -0.82 -1.04 -0.68 -0.97 114.28 109.31 1fwn n THR 1157Ca -0.18 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1fwn n THR 1157Cb 0.54 -1.67 -0.13 0.00 -1.82 0.00 0.00 70.33 67.26 1fwn n THR 1157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fwn s PHE 1158N 2.35 1.29 0.00 -1.42 5.36 -0.75 -4.82 117.98 119.98 1fwn s PHE 1158Ca 0.85 -1.97 0.00 0.00 -0.96 0.00 0.00 56.93 54.85 1fwn s PHE 1158Cb -0.69 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1fwn s PHE 1158CO 0.44 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.81 1fwn n GLY 1159N 3.84 -1.09 3.83 13.12 0.00 -1.26 -4.28 105.19 119.34 1fwn n GLY 1159Ca 0.10 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1fwn n GLY 1159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwn s TYR 1160N 0.00 3.71 -1.50 1.61 2.02 -1.26 -4.32 117.35 117.61 1fwn s TYR 1160Ca 0.00 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 57.75 1fwn s TYR 1160Cb 0.00 -2.44 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 1fwn s TYR 1160CO 0.00 0.51 0.84 0.09 -1.57 0.00 0.00 175.55 175.42 1fwn n ASN 1161N 1.26 -4.64 -3.61 2.29 3.02 -1.26 -4.96 115.26 107.35 1fwn n ASN 1161Ca -0.08 -0.67 -0.16 0.00 -0.03 0.00 0.00 54.58 53.65 1fwn n ASN 1161Cb 0.51 -3.74 -0.07 0.00 -0.61 0.00 0.00 39.78 35.88 1fwn n ASN 1161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fwn s ASN 1162N -3.12 -0.47 0.06 6.41 3.04 -1.26 -4.12 114.94 115.49 1fwn s ASN 1162Ca 0.59 0.44 0.05 0.00 0.04 0.00 0.00 52.86 53.98 1fwn s ASN 1162Cb -0.30 0.45 -0.03 0.00 -1.54 0.00 0.00 41.25 39.84 1fwn s ASN 1162CO 0.72 -0.56 -0.15 -0.76 -3.04 0.00 0.00 177.10 173.31 1fwn s LEU 1163N -1.31 2.24 0.07 3.21 1.43 -1.26 -1.81 118.68 121.25 1fwn s LEU 1163Ca -0.11 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1fwn s LEU 1163Cb -0.02 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1fwn s LEU 1163CO 0.07 -0.02 -0.20 0.54 0.23 0.00 0.00 176.35 176.97 1fwn s VAL 1164N -1.11 1.63 -0.34 -1.59 0.11 -0.14 -4.85 120.40 114.10 1fwn s VAL 1164Ca 0.00 -1.36 -0.10 0.00 -2.93 0.00 0.00 61.98 57.59 1fwn s VAL 1164Cb -0.09 -1.46 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 1fwn s VAL 1164CO 0.02 0.04 0.18 -0.69 -3.33 0.00 0.00 175.10 171.32 1fwn s VAL 1165N -1.01 4.66 -0.70 2.04 1.01 -1.26 -0.68 120.40 124.46 1fwn s VAL 1165Ca 0.06 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1fwn s VAL 1165Cb -0.09 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 32.94 1fwn s VAL 1165CO 0.03 -0.06 0.84 -0.62 0.00 0.00 0.00 175.10 175.29 1fwn s ASP 1166N 1.60 6.35 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.69 1fwn s ASP 1166Ca 0.04 -1.66 0.05 0.00 -0.52 0.00 0.00 52.55 50.46 1fwn s ASP 1166Cb -0.18 -2.33 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 1fwn s ASP 1166CO 0.07 -1.08 0.98 0.49 0.52 0.00 0.00 175.17 176.14 1fwn n PHE 1167N 6.28 0.00 0.28 -5.34 3.01 -1.26 -1.15 117.46 119.29 1fwn n PHE 1167Ca 0.01 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.65 1fwn n PHE 1167Cb 0.45 -0.25 0.75 0.00 -0.01 0.00 0.00 39.48 40.41 1fwn n PHE 1167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fwn h ARG 1168N 0.00 0.00 0.00 -1.08 3.08 -2.03 -2.86 114.38 111.49 1fwn h ARG 1168Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1fwn h ARG 1168Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1fwn h ARG 1168CO 0.00 0.00 -0.21 0.66 -1.07 0.00 0.00 179.97 179.35 1fwn h SER 1169N 0.00 0.00 0.44 7.04 4.64 -1.56 -2.89 113.55 121.22 1fwn h SER 1169Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1fwn h SER 1169Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1fwn h SER 1169CO 0.00 0.21 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.89 1fwn h LEU 1170N 0.00 -0.50 -1.04 5.97 4.07 -1.73 -0.19 115.31 121.89 1fwn h LEU 1170Ca -0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1fwn h LEU 1170Cb 0.39 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1fwn h LEU 1170CO 0.03 -0.32 -0.44 1.55 -1.08 0.00 0.00 178.44 178.17 1fwn h PRO 1171N -0.64 0.00 0.27 1.13 0.13 -1.74 -2.18 132.00 128.96 1fwn h PRO 1171Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1fwn h PRO 1171Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1fwn h PRO 1171CO 0.10 0.44 -0.13 0.82 -0.23 0.00 0.00 178.00 179.00 1fwn h ILE 1172N 0.00 0.77 0.00 -3.56 2.04 -1.35 -3.13 117.51 112.28 1fwn h ILE 1172Ca -0.00 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1fwn h ILE 1172Cb 0.86 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1fwn h ILE 1172CO 0.06 0.11 -0.19 0.24 0.00 0.00 0.00 178.15 178.37 1fwn h MET 1173N -0.65 0.00 0.00 2.37 2.86 -1.04 -2.37 114.93 116.10 1fwn h MET 1173Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1fwn h MET 1173Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1fwn h MET 1173CO 0.06 0.19 0.00 -0.22 1.06 0.00 0.00 176.91 178.00 1fwn h LYS 1174N 0.00 0.00 -0.03 1.72 1.63 -1.33 -2.04 116.57 116.52 1fwn h LYS 1174Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1fwn h LYS 1174Cb 0.43 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1fwn h LYS 1174CO 0.02 0.00 -0.06 1.96 -3.45 0.00 0.00 179.45 177.92 1fwn h GLN 1175N 0.00 0.04 0.00 1.90 4.20 -1.49 -3.30 115.11 116.46 1fwn h GLN 1175Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1fwn h GLN 1175Cb 0.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1fwn h GLN 1175CO 0.00 0.11 0.00 -2.67 -0.67 0.00 0.00 178.83 175.60 1fwn n TRP 1176N -4.44 0.00 -3.67 2.96 2.14 -0.80 -5.10 117.44 108.53 1fwn n TRP 1176Ca -0.02 -0.18 -0.02 0.00 2.07 0.00 0.00 57.50 59.34 1fwn n TRP 1176Cb 0.16 -0.02 -0.01 0.00 -0.81 0.00 0.00 31.31 30.63 1fwn n TRP 1176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fwn s ALA 1177N -0.36 -1.89 0.31 -1.67 0.00 -1.01 -4.98 121.76 112.16 1fwn s ALA 1177Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 1fwn s ALA 1177Cb 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.51 1fwn s ALA 1177CO 0.00 -0.98 1.03 0.15 0.00 0.00 0.00 175.76 175.96 1fwn s LYS 1178N -2.93 4.55 -0.13 0.00 1.02 -1.13 -4.10 119.74 117.02 1fwn s LYS 1178Ca 0.12 1.60 -0.02 0.00 0.02 0.00 0.00 55.97 57.69 1fwn s LYS 1178Cb 0.01 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1fwn s LYS 1178CO -0.01 0.19 -0.07 0.08 -0.92 0.00 0.00 175.35 174.62 1fwn s VAL 1179N -1.36 3.63 -0.03 3.17 1.01 -1.26 -1.10 120.40 124.47 1fwn s VAL 1179Ca 0.48 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1fwn s VAL 1179Cb -0.26 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1fwn s VAL 1179CO 0.33 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 175.15 1fwn s ILE 1180N 0.11 2.76 -0.24 2.22 -1.09 0.33 -0.44 121.20 124.85 1fwn s ILE 1180Ca -0.02 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.47 1fwn s ILE 1180Cb -0.14 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1fwn s ILE 1180CO 0.03 0.57 0.04 -0.47 -1.23 0.00 0.00 174.94 173.88 1fwn s TYR 1181N -0.71 3.05 -0.70 3.97 5.04 -0.57 -0.21 117.35 127.22 1fwn s TYR 1181Ca 0.11 -0.57 -0.24 0.00 -2.44 0.00 0.00 57.07 53.93 1fwn s TYR 1181Cb -0.10 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 40.07 1fwn s TYR 1181CO 0.00 -0.41 1.08 0.34 -1.34 0.00 0.00 175.55 175.22 1fwn s ASP 1182N 1.55 6.18 0.44 4.32 -1.08 -0.21 -0.52 116.67 127.35 1fwn s ASP 1182Ca 0.06 -0.84 0.23 0.00 -0.52 0.00 0.00 52.55 51.48 1fwn s ASP 1182Cb -0.15 -2.47 0.95 0.00 -1.46 0.00 0.00 42.92 39.79 1fwn s ASP 1182CO 0.02 -1.57 1.85 0.00 0.52 0.00 0.00 175.17 175.98 1fwn h ALA 1183N 9.71 1.07 0.04 3.66 0.00 -1.36 -3.19 119.26 129.19 1fwn h ALA 1183Ca -0.27 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 1fwn h ALA 1183Cb 1.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1fwn h ALA 1183CO 1.22 0.31 -2.25 0.25 0.00 0.00 0.00 179.25 178.77 1fwn n THR 1184N -3.48 1.57 0.16 0.00 -2.24 -1.26 -4.43 114.28 104.60 1fwn n THR 1184Ca -0.00 -0.66 0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1fwn n THR 1184Cb 0.41 -1.33 0.17 0.00 -2.10 0.00 0.00 70.33 67.49 1fwn n THR 1184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fwn h HIS 1185N 0.02 0.00 0.00 4.78 3.86 -1.91 -3.25 115.15 118.66 1fwn h HIS 1185Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1fwn h HIS 1185Cb 2.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.47 1fwn h HIS 1185CO 0.04 0.48 0.00 0.77 0.86 0.00 0.00 177.93 180.07 1fwn h SER 1186N 0.00 0.00 -0.24 2.45 0.02 -1.65 -2.71 113.55 111.42 1fwn h SER 1186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fwn h SER 1186Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1fwn h SER 1186CO 0.06 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.08 1fwn n VAL 1187N -2.99 0.58 -2.56 2.27 0.24 -1.23 -4.72 118.33 109.93 1fwn n VAL 1187Ca -0.01 -0.79 -0.34 0.00 -2.04 0.00 0.00 64.34 61.17 1fwn n VAL 1187Cb 0.20 0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 33.35 1fwn n VAL 1187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fwn s GLN 1188N -1.03 3.87 -0.45 7.34 -2.07 -1.02 -4.55 119.66 121.73 1fwn s GLN 1188Ca 0.22 1.27 -0.09 0.00 -1.82 0.00 0.00 55.36 54.94 1fwn s GLN 1188Cb 0.13 -2.11 0.11 0.00 -1.09 0.00 0.00 33.01 30.04 1fwn s GLN 1188CO 0.18 -0.36 0.32 -0.51 -1.32 0.00 0.00 175.29 173.59 1fwn s LEU 1189N -3.53 5.52 0.01 2.60 1.43 -1.26 -4.43 118.68 119.02 1fwn s LEU 1189Ca 0.65 -1.78 -0.37 0.00 -1.03 0.00 0.00 54.13 51.60 1fwn s LEU 1189Cb -0.14 -2.01 -0.16 0.00 0.03 0.00 0.00 46.19 43.91 1fwn s LEU 1189CO 0.20 -0.64 1.43 -2.65 0.23 0.00 0.00 176.35 174.91 1fwn n PRO 1190N 4.91 1.14 -0.80 1.29 -0.02 -1.26 -4.92 135.00 135.35 1fwn n PRO 1190Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1fwn n PRO 1190Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1fwn n PRO 1190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwn n GLY 1191N 2.87 0.00 3.34 -1.23 0.00 -1.26 -4.22 105.19 104.69 1fwn n GLY 1191Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1fwn n GLY 1191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwn n GLY 1199N -0.24 1.33 0.38 -0.02 0.00 -1.26 -4.99 105.19 100.39 1fwn n GLY 1199Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fwn n GLY 1199CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fwn n MET 1200N -2.00 0.00 -0.22 1.61 0.00 -1.26 -4.93 117.12 110.31 1fwn n MET 1200Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 57.70 57.94 1fwn n MET 1200Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 33.22 33.83 1fwn n MET 1200CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1fwn h ARG 1201N 0.00 0.20 0.00 0.03 2.43 -1.86 -0.32 114.38 114.86 1fwn h ARG 1201Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fwn h ARG 1201Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1fwn h ARG 1201CO 0.00 0.13 0.00 -0.85 -1.51 0.00 0.00 179.97 177.74 1fwn n GLU 1202N -4.41 0.18 0.00 0.20 0.28 -1.26 -2.53 120.64 113.10 1fwn n GLU 1202Ca 0.20 0.49 0.10 0.00 -0.16 0.00 0.00 57.16 57.78 1fwn n GLU 1202Cb 0.85 -1.90 -0.07 0.00 1.43 0.00 0.00 31.44 31.75 1fwn n GLU 1202CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1fwn n PHE 1203N -2.25 0.00 0.19 -1.84 3.01 -0.13 -4.56 117.46 111.88 1fwn n PHE 1203Ca 0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 1fwn n PHE 1203Cb 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 1fwn n PHE 1203CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1fwn h ILE 1204N 1.00 0.30 0.19 4.37 2.04 -1.56 -2.35 117.51 121.50 1fwn h ILE 1204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1fwn h ILE 1204Cb 0.59 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1fwn h ILE 1204CO 0.00 0.00 -0.09 0.15 0.00 0.00 0.00 178.15 178.21 1fwn h PHE 1205N -0.66 -0.24 -0.81 1.37 -0.00 -1.80 -1.88 116.94 112.92 1fwn h PHE 1205Ca -0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 57.99 1fwn h PHE 1205Cb 0.62 0.08 -0.05 0.00 -0.00 0.00 0.00 35.95 36.60 1fwn h PHE 1205CO -0.23 -0.12 0.52 -1.00 -0.00 0.00 0.00 178.31 177.48 1fwn h PRO 1206N -0.29 0.97 -0.12 6.41 0.13 -1.81 -1.44 132.00 135.86 1fwn h PRO 1206Ca -0.03 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.95 1fwn h PRO 1206Cb 0.22 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1fwn h PRO 1206CO 0.04 0.64 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.04 1fwn h LEU 1207N 1.00 0.26 -0.70 1.56 3.38 -1.34 -1.70 115.31 117.77 1fwn h LEU 1207Ca 0.33 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 1fwn h LEU 1207Cb 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1fwn h LEU 1207CO -0.12 0.59 -0.57 -0.29 0.09 0.00 0.00 178.44 178.14 1fwn h ILE 1208N 0.22 1.37 -0.71 1.22 2.10 -0.89 -1.22 117.51 119.60 1fwn h ILE 1208Ca 0.03 -1.89 -0.04 0.00 1.08 0.00 0.00 64.86 64.03 1fwn h ILE 1208Cb 0.71 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 38.35 1fwn h ILE 1208CO 0.05 0.56 0.27 0.03 -1.08 0.00 0.00 178.15 177.99 1fwn h ARG 1209N 0.19 1.07 -0.45 2.19 3.08 -0.75 -2.53 114.38 117.19 1fwn h ARG 1209Ca -0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1fwn h ARG 1209Cb 1.05 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1fwn h ARG 1209CO 0.09 0.89 0.22 0.00 -1.07 0.00 0.00 179.97 180.11 1fwn h ALA 1210N 1.13 0.58 -0.36 0.04 0.00 -0.87 -2.33 119.26 117.45 1fwn h ALA 1210Ca 0.24 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1fwn h ALA 1210Cb 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1fwn h ALA 1210CO -0.02 0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.40 1fwn h ALA 1211N 1.07 0.35 0.00 0.00 0.00 -0.83 -0.61 119.26 119.24 1fwn h ALA 1211Ca 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1fwn h ALA 1211Cb 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fwn h ALA 1211CO -0.02 -0.37 -0.39 -0.39 0.00 0.00 0.00 179.25 178.08 1fwn h VAL 1212N 0.14 0.86 -0.29 0.00 -1.51 -1.42 0.60 116.25 114.63 1fwn h VAL 1212Ca 0.17 -1.60 -0.18 0.00 -1.23 0.00 0.00 66.70 63.87 1fwn h VAL 1212Cb 0.23 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1fwn h VAL 1212CO -0.27 0.38 -0.51 0.00 -1.23 0.00 0.00 177.57 175.95 1fwn h ALA 1213N 1.61 0.45 -0.24 5.19 0.00 -0.81 -3.07 119.26 122.39 1fwn h ALA 1213Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1fwn h ALA 1213Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1fwn h ALA 1213CO 0.05 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 180.07 1fwn h VAL 1214N 0.63 1.31 0.00 0.00 2.07 -1.00 -3.47 116.25 115.79 1fwn h VAL 1214Ca 0.02 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1fwn h VAL 1214Cb 1.11 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1fwn h VAL 1214CO 0.11 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1fwn n GLY 1215N 0.03 2.96 3.44 2.17 0.00 0.19 -4.85 105.19 109.13 1fwn n GLY 1215Ca -0.04 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1fwn n GLY 1215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwn n ASP 1217N -0.88 2.79 0.00 0.00 8.00 0.42 -4.99 116.55 121.89 1fwn n ASP 1217Ca 0.01 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1fwn n ASP 1217Cb 0.63 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1fwn n ASP 1217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwn n GLY 1218N 1.36 0.54 3.17 0.44 0.00 -1.12 -1.93 105.19 107.64 1fwn n GLY 1218Ca 0.13 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1fwn n GLY 1218CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fwn s VAL 1219N -2.00 0.98 -0.10 1.61 -7.23 -0.12 -1.51 120.40 112.03 1fwn s VAL 1219Ca 0.00 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1fwn s VAL 1219Cb 0.00 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.76 1fwn s VAL 1219CO 0.00 -0.41 -0.19 0.12 -0.31 0.00 0.00 175.10 174.31 1fwn s PHE 1220N -1.90 2.21 -0.05 2.82 2.19 0.32 -0.63 117.98 122.96 1fwn s PHE 1220Ca 0.01 -0.98 -0.02 0.00 0.33 0.00 0.00 56.93 56.28 1fwn s PHE 1220Cb -0.06 -1.53 0.03 0.00 -1.31 0.00 0.00 43.02 40.15 1fwn s PHE 1220CO 0.01 -0.45 0.10 -1.64 1.83 0.00 0.00 175.22 175.07 1fwn s MET 1221N 0.67 0.04 0.04 10.12 -1.94 0.61 -0.97 119.30 127.87 1fwn s MET 1221Ca -0.12 0.29 -0.24 0.00 -1.71 0.00 0.00 55.69 53.90 1fwn s MET 1221Cb -0.16 -0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.43 1fwn s MET 1221CO 0.03 -0.16 0.73 -1.21 -0.01 0.00 0.00 175.02 174.40 1fwn s GLU 1222N 1.06 4.46 0.00 2.03 2.02 -1.26 -2.95 118.70 124.06 1fwn s GLU 1222Ca -0.08 0.99 0.00 0.00 0.02 0.00 0.00 54.97 55.90 1fwn s GLU 1222Cb -0.11 -3.35 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 1fwn s GLU 1222CO -0.04 0.33 -0.01 -0.08 0.02 0.00 0.00 175.26 175.47 1fwn s THR 1223N -0.18 0.07 -0.05 3.63 -1.32 -0.30 -1.12 115.64 116.38 1fwn s THR 1223Ca 0.36 -0.07 -0.04 0.00 -1.21 0.00 0.00 61.69 60.73 1fwn s THR 1223Cb -0.20 -0.08 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 1fwn s THR 1223CO 0.22 0.00 0.13 -2.28 -2.21 0.00 0.00 174.62 170.48 1fwn s HIS 1224N -0.07 -0.14 0.27 9.09 5.04 -0.44 -2.50 115.29 126.55 1fwn s HIS 1224Ca -0.00 0.33 0.01 0.00 -1.54 0.00 0.00 55.06 53.86 1fwn s HIS 1224Cb -0.01 0.05 0.61 0.00 0.04 0.00 0.00 32.58 33.27 1fwn s HIS 1224CO -0.00 -0.07 1.74 -1.35 -2.34 0.00 0.00 174.74 172.72 1fwn h PRO 1225N 5.93 0.54 -2.46 2.88 0.11 -1.94 -2.27 132.00 134.78 1fwn h PRO 1225Ca -0.25 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.24 1fwn h PRO 1225Cb 1.20 -0.12 -0.38 0.00 0.11 0.00 0.00 31.00 31.81 1fwn h PRO 1225CO 0.43 0.35 -0.93 -1.21 -0.21 0.00 0.00 178.00 176.44 1fwn s GLU 1226N -5.93 1.00 0.38 1.05 2.02 -1.26 -4.43 118.70 111.53 1fwn s GLU 1226Ca -0.12 -2.13 0.21 0.00 0.02 0.00 0.00 54.97 52.95 1fwn s GLU 1226Cb 0.23 -1.59 1.25 0.00 0.10 0.00 0.00 34.13 34.13 1fwn s GLU 1226CO 0.78 -1.36 1.64 -1.35 0.02 0.00 0.00 175.26 174.99 1fwn h PRO 1227N 5.78 0.18 0.00 0.39 0.11 -1.85 0.12 132.00 136.73 1fwn h PRO 1227Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1fwn h PRO 1227Cb 0.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1fwn h PRO 1227CO 0.39 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.35 1fwn h GLU 1228N 0.18 0.00 -0.02 1.05 4.11 -1.93 -1.77 114.58 116.21 1fwn h GLU 1228Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.21 1fwn h GLU 1228Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1fwn h GLU 1228CO -0.57 0.00 -0.17 1.63 0.07 0.00 0.00 179.01 179.97 1fwn n LYS 1229N -2.33 1.51 -1.68 1.06 5.02 0.43 -5.01 118.16 117.16 1fwn n LYS 1229Ca 0.00 -1.10 -0.37 0.00 -2.02 0.00 0.00 58.31 54.82 1fwn n LYS 1229Cb 0.13 -1.28 0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1fwn n LYS 1229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fwn n ALA 1230N 0.35 1.00 1.01 7.82 0.00 -0.66 -4.90 120.51 125.13 1fwn n ALA 1230Ca 0.08 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1fwn n ALA 1230Cb 0.36 -2.31 0.29 0.00 0.00 0.00 0.00 19.45 17.79 1fwn n ALA 1230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fwn n LEU 1231N -1.94 2.45 -3.70 0.00 4.77 -1.26 -4.63 117.00 112.69 1fwn n LEU 1231Ca 0.16 -0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 55.09 1fwn n LEU 1231Cb 0.48 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1fwn n LEU 1231CO 0.47 0.46 0.15 -0.55 -1.33 0.00 0.00 177.39 176.59 1fwn s SER 1232N -1.78 -0.54 -1.37 -1.43 0.15 -1.26 -4.41 113.70 103.05 1fwn s SER 1232Ca 0.34 1.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.94 1fwn s SER 1232Cb 0.20 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1fwn s SER 1232CO 0.30 -0.18 0.44 0.47 1.20 0.00 0.00 173.24 175.48 1fwn n ASP 1233N 3.36 -1.04 0.27 5.45 8.00 -1.26 -4.85 116.55 126.48 1fwn n ASP 1233Ca -0.17 -1.05 0.15 0.00 0.71 0.00 0.00 54.79 54.44 1fwn n ASP 1233Cb 0.56 -2.91 0.73 0.00 -0.02 0.00 0.00 41.12 39.49 1fwn n ASP 1233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fwn h ALA 1234N 0.87 1.10 0.00 2.24 0.00 -1.82 -2.18 119.26 119.47 1fwn h ALA 1234Ca -0.64 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1fwn h ALA 1234Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1fwn h ALA 1234CO 0.61 0.11 -0.72 0.77 0.00 0.00 0.00 179.25 180.02 1fwn h SER 1235N 0.00 0.00 0.00 0.00 0.02 -1.89 -3.38 113.55 108.31 1fwn h SER 1235Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1fwn h SER 1235Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1fwn h SER 1235CO 0.01 0.01 -0.78 0.35 -1.14 0.00 0.00 176.83 175.28 1fwn n THR 1236N -2.70 0.00 -1.99 -2.27 -2.24 -1.10 -4.13 114.28 99.85 1fwn n THR 1236Ca 0.01 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1fwn n THR 1236Cb 0.53 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1fwn n THR 1236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fwn s GLN 1237N -1.89 4.25 0.16 -0.78 -0.21 -0.84 -4.85 119.66 115.50 1fwn s GLN 1237Ca -0.00 2.31 -0.30 0.00 0.02 0.00 0.00 55.36 57.39 1fwn s GLN 1237Cb 0.02 -3.14 -0.07 0.00 1.00 0.00 0.00 33.01 30.82 1fwn s GLN 1237CO 0.14 -0.51 1.05 -1.17 -2.12 0.00 0.00 175.29 172.69 1fwn s LEU 1238N 0.44 4.50 0.26 2.90 2.96 -0.27 -4.73 118.68 124.75 1fwn s LEU 1238Ca 0.65 2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 56.25 1fwn s LEU 1238Cb -0.42 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.55 1fwn s LEU 1238CO 0.37 -0.15 1.63 -2.84 -1.32 0.00 0.00 176.35 174.03 1fwn s PRO 1239N -0.33 4.13 0.39 0.98 0.02 -1.26 -1.32 135.00 137.61 1fwn s PRO 1239Ca 0.48 2.58 0.14 0.00 0.02 0.00 0.00 61.00 64.21 1fwn s PRO 1239Cb -0.27 -3.04 0.97 0.00 0.02 0.00 0.00 34.50 32.17 1fwn s PRO 1239CO 0.33 -0.66 1.86 1.25 -0.33 0.00 0.00 177.00 179.45 1fwn h LEU 1240N 5.45 0.51 -1.51 -5.54 5.85 -1.62 -0.56 115.31 117.90 1fwn h LEU 1240Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1fwn h LEU 1240Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1fwn h LEU 1240CO 0.84 0.23 0.00 0.77 -0.34 0.00 0.00 178.44 179.94 1fwn h SER 1241N 0.52 0.00 0.48 1.25 4.64 -1.89 -2.45 113.55 116.11 1fwn h SER 1241Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1fwn h SER 1241Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1fwn h SER 1241CO -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.22 1fwn n GLN 1242N -2.80 0.01 0.22 4.77 6.02 -0.22 -4.45 117.38 120.93 1fwn n GLN 1242Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 1fwn n GLN 1242Cb 0.23 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 29.90 1fwn n GLN 1242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fwn h LEU 1243N 0.00 -1.11 -0.62 1.08 6.46 -1.45 -2.55 115.31 117.12 1fwn h LEU 1243Ca 0.00 0.10 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1fwn h LEU 1243Cb 0.51 0.38 -0.10 0.00 -0.73 0.00 0.00 40.66 40.72 1fwn h LEU 1243CO 0.00 -0.53 0.02 -0.08 -0.62 0.00 0.00 178.44 177.23 1fwn h GLU 1244N -0.78 0.13 -0.66 1.25 4.81 -1.78 -1.17 114.58 116.38 1fwn h GLU 1244Ca -0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1fwn h GLU 1244Cb 0.72 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1fwn h GLU 1244CO -0.10 0.09 0.34 0.78 -0.73 0.00 0.00 179.01 179.38 1fwn h GLY 1245N 0.13 1.01 0.97 1.92 0.00 -1.81 -1.47 103.07 103.83 1fwn h GLY 1245Ca 0.33 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1fwn h GLY 1245CO -0.52 0.46 0.19 -2.22 0.00 0.00 0.00 176.54 174.45 1fwn h ILE 1246N 0.91 1.22 -0.45 2.60 1.08 -0.92 -1.79 117.51 120.17 1fwn h ILE 1246Ca 0.23 -0.70 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1fwn h ILE 1246Cb 0.09 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1fwn h ILE 1246CO -0.03 0.26 0.16 0.40 -0.69 0.00 0.00 178.15 178.25 1fwn h ILE 1247N 0.68 1.21 -0.52 -0.67 2.04 -1.03 -1.13 117.51 118.09 1fwn h ILE 1247Ca 0.17 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1fwn h ILE 1247Cb 0.22 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1fwn h ILE 1247CO -0.01 0.25 0.33 -0.08 0.00 0.00 0.00 178.15 178.64 1fwn h GLU 1248N 0.58 0.65 -0.26 2.37 4.57 -1.17 -1.44 114.58 119.88 1fwn h GLU 1248Ca 0.15 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1fwn h GLU 1248Cb 0.22 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1fwn h GLU 1248CO -0.01 0.43 0.11 0.00 -1.18 0.00 0.00 179.01 178.36 1fwn h ALA 1249N 1.21 0.31 -0.11 2.92 0.00 -0.98 -1.38 119.26 121.22 1fwn h ALA 1249Ca 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1fwn h ALA 1249Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fwn h ALA 1249CO -0.06 -0.29 -0.39 -0.84 0.00 0.00 0.00 179.25 177.66 1fwn h ILE 1250N 0.24 1.30 -0.64 0.00 3.07 -0.94 -1.29 117.51 119.26 1fwn h ILE 1250Ca 0.11 -1.48 -0.08 0.00 1.55 0.00 0.00 64.86 64.96 1fwn h ILE 1250Cb 0.06 1.66 -0.03 0.00 -0.27 0.00 0.00 36.82 38.24 1fwn h ILE 1250CO -0.10 0.44 0.09 -0.07 -1.05 0.00 0.00 178.15 177.46 1fwn h LEU 1251N 0.20 1.02 -0.12 0.16 3.38 -0.94 0.24 115.31 119.25 1fwn h LEU 1251Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1fwn h LEU 1251Cb 0.79 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1fwn h LEU 1251CO 0.06 1.02 0.02 -0.33 0.09 0.00 0.00 178.44 179.30 1fwn h GLU 1252N 0.99 0.20 -0.58 1.13 5.08 -0.87 -1.33 114.58 119.21 1fwn h GLU 1252Ca 0.19 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1fwn h GLU 1252Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1fwn h GLU 1252CO 0.01 0.39 -0.02 0.82 -1.00 0.00 0.00 179.01 179.22 1fwn h ILE 1253N -0.03 1.26 -0.28 3.13 2.04 -1.10 -2.55 117.51 119.98 1fwn h ILE 1253Ca 0.04 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1fwn h ILE 1253Cb 0.29 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1fwn h ILE 1253CO 0.00 0.42 0.14 -0.09 0.00 0.00 0.00 178.15 178.62 1fwn h ARG 1254N 0.93 0.29 0.00 2.37 2.43 -0.44 -1.17 114.38 118.79 1fwn h ARG 1254Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1fwn h ARG 1254Cb 0.57 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1fwn h ARG 1254CO 0.03 0.19 -0.05 1.49 -1.51 0.00 0.00 179.97 180.12 1fwn h GLU 1255N 0.30 -0.08 0.00 0.20 4.57 -1.07 0.51 114.58 119.01 1fwn h GLU 1255Ca 0.11 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1fwn h GLU 1255Cb 0.03 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1fwn h GLU 1255CO -0.07 -0.06 -0.42 -0.24 -1.18 0.00 0.00 179.01 177.03 1fwn h VAL 1256N -0.09 1.25 0.00 0.32 3.04 -1.36 -3.02 116.25 116.38 1fwn h VAL 1256Ca 0.02 -1.48 -0.20 0.00 -1.01 0.00 0.00 66.70 64.03 1fwn h VAL 1256Cb 0.11 1.81 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 1fwn h VAL 1256CO -0.05 0.42 -1.22 0.00 -1.01 0.00 0.00 177.57 175.71 1fwn h ALA 1257N 1.58 0.61 -1.02 3.17 0.00 -0.94 -3.39 119.26 119.27 1fwn h ALA 1257Ca -0.00 -0.96 0.38 0.00 0.00 0.00 0.00 54.91 54.32 1fwn h ALA 1257Cb 0.78 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.56 1fwn h ALA 1257CO 0.06 1.14 0.57 0.66 0.00 0.00 0.00 179.25 181.67 1fwn h SER 1258N 0.00 0.40 0.52 0.00 4.64 0.16 0.18 113.55 119.46 1fwn h SER 1258Ca -0.13 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1fwn h SER 1258Cb 1.71 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1fwn h SER 1258CO 0.08 -0.29 0.00 0.07 -0.87 0.00 0.00 176.83 175.82 1fwn h LYS 1259N 0.15 0.00 -0.02 4.77 2.10 -1.77 -2.54 116.57 119.27 1fwn h LYS 1259Ca 0.80 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.45 1fwn h LYS 1259Cb 2.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 1fwn h LYS 1259CO -0.68 0.00 -0.49 0.66 -2.00 0.00 0.00 179.45 176.95 1fwn n TYR 1260N -2.55 0.00 -1.69 0.07 4.02 0.64 -4.95 117.16 112.70 1fwn n TYR 1260Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.45 1fwn n TYR 1260Cb 0.18 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 1fwn n TYR 1260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1fwn n TYR 1261N -0.07 2.53 -2.28 -0.72 0.53 -0.96 -4.94 117.16 111.26 1fwn n TYR 1261Ca 0.09 0.04 -0.34 0.00 -1.02 0.00 0.00 57.90 56.68 1fwn n TYR 1261Cb 0.46 -2.65 -0.01 0.00 -1.03 0.00 0.00 39.34 36.11 1fwn n TYR 1261CO 0.00 0.00 0.00 -1.21 -1.02 0.00 0.00 176.86 174.63 1fwn s GLU 1262N 1.84 3.49 -0.14 -0.72 8.01 -1.26 -5.03 118.70 124.89 1fwn s GLU 1262Ca 0.80 1.38 -0.19 0.00 0.01 0.00 0.00 54.97 56.96 1fwn s GLU 1262Cb -0.57 -2.05 -0.04 0.00 -4.31 0.00 0.00 34.13 27.17 1fwn s GLU 1262CO 0.37 -0.70 0.54 0.99 0.01 0.00 0.00 175.26 176.48 1fwn s THR 1263N -2.09 5.12 -2.00 3.63 2.01 -1.26 -5.17 115.64 115.89 1fwn s THR 1263Ca 0.68 1.06 0.15 0.00 0.31 0.00 0.00 61.69 63.88 1fwn s THR 1263Cb -0.18 -3.88 0.41 0.00 0.01 0.00 0.00 72.50 68.86 1fwn s THR 1263CO 0.28 0.24 1.28 2.30 -0.69 0.00 0.00 174.62 178.04