#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxm n GLY 1002N 0.00 -2.32 2.20 0.00 0.00 -1.26 -4.95 105.19 98.86 1xxm n GLY 1002Ca 0.00 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 1xxm n GLY 1002CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xxm n VAL 1003N -0.39 0.00 -2.20 1.61 0.24 -1.26 -4.88 118.33 111.46 1xxm n VAL 1003Ca 0.00 -0.54 -0.40 0.00 -2.04 0.00 0.00 64.34 61.36 1xxm n VAL 1003Cb 0.00 -1.68 -0.02 0.00 -1.47 0.00 0.00 33.84 30.67 1xxm n VAL 1003CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1xxm s MET 1004N -4.65 4.26 0.24 7.34 1.75 -0.28 -4.95 119.30 123.01 1xxm s MET 1004Ca 0.43 2.06 0.01 0.00 -1.25 0.00 0.00 55.69 56.94 1xxm s MET 1004Cb -0.01 -2.94 -0.05 0.00 2.84 0.00 0.00 34.83 34.67 1xxm s MET 1004CO 0.30 -0.22 0.10 0.95 -0.65 0.00 0.00 175.02 175.51 1xxm s THR 1005N -1.23 0.45 0.23 10.11 -4.23 -1.26 -4.28 115.64 115.43 1xxm s THR 1005Ca 0.52 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1xxm s THR 1005Cb -0.36 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 70.96 1xxm s THR 1005CO 0.47 -0.02 1.69 1.23 -0.54 0.00 0.00 174.62 177.45 1xxm h GLY 1006N 2.44 0.93 1.18 3.99 0.00 -1.93 -1.65 103.07 108.03 1xxm h GLY 1006Ca -0.38 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.22 1xxm h GLY 1006CO 0.59 0.63 0.25 0.00 0.00 0.00 0.00 176.54 178.02 1xxm h ALA 1007N 1.13 1.14 -0.39 3.60 0.00 -1.97 -0.65 119.26 122.13 1xxm h ALA 1007Ca 0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1xxm h ALA 1007Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xxm h ALA 1007CO 0.03 0.61 -0.19 0.87 0.00 0.00 0.00 179.25 180.57 1xxm h LYS 1008N 1.01 0.82 -0.67 0.00 1.57 -1.86 -1.06 116.57 116.38 1xxm h LYS 1008Ca 0.23 -0.36 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1xxm h LYS 1008Cb 0.23 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1xxm h LYS 1008CO -0.02 0.99 0.40 0.35 -0.57 0.00 0.00 179.45 180.61 1xxm h PHE 1009N 0.63 0.75 -0.27 -1.35 3.57 -0.90 -1.66 116.94 117.72 1xxm h PHE 1009Ca 0.09 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1xxm h PHE 1009Cb 0.75 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1xxm h PHE 1009CO 0.06 0.41 -0.43 1.15 -2.23 0.00 0.00 178.31 177.26 1xxm h THR 1010N 0.78 1.30 -0.22 4.41 2.02 -0.97 -3.08 112.91 117.14 1xxm h THR 1010Ca 0.28 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 1xxm h THR 1010Cb 0.07 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1xxm h THR 1010CO -0.13 0.52 -0.22 -0.61 0.37 0.00 0.00 175.52 175.45 1xxm h GLN 1011N 0.54 0.40 -6.69 6.66 4.15 -0.78 -3.42 115.11 115.98 1xxm h GLN 1011Ca 0.04 -0.13 -0.53 0.00 0.77 0.00 0.00 58.65 58.80 1xxm h GLN 1011Cb 0.97 -0.03 0.04 0.00 0.21 0.00 0.00 27.48 28.67 1xxm h GLN 1011CO 0.09 0.60 0.72 0.42 -1.93 0.00 0.00 178.83 178.73 1xxm s ILE 1012N -4.55 2.95 0.15 2.39 1.01 -0.66 -5.01 121.20 117.48 1xxm s ILE 1012Ca -0.06 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.46 1xxm s ILE 1012Cb 0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1xxm s ILE 1012CO 0.77 0.11 -0.21 -1.10 0.00 0.00 0.00 174.94 174.51 1xxm s GLN 1013N -0.01 1.65 0.50 2.79 -1.52 -1.26 -4.97 119.66 116.84 1xxm s GLN 1013Ca 0.59 -1.33 -0.23 0.00 -1.95 0.00 0.00 55.36 52.44 1xxm s GLN 1013Cb -0.39 -1.99 -0.06 0.00 -0.22 0.00 0.00 33.01 30.34 1xxm s GLN 1013CO 0.39 0.44 1.34 -0.06 -0.25 0.00 0.00 175.29 177.15 1xxm s PHE 1014N -1.34 2.46 0.00 0.91 0.40 -1.26 -2.13 117.98 117.02 1xxm s PHE 1014Ca 0.19 1.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 1xxm s PHE 1014Cb -0.09 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.68 1xxm s PHE 1014CO 0.10 -2.62 0.00 0.41 0.70 0.00 0.00 175.22 173.80 1xxm n GLY 1015N 0.65 1.66 3.78 4.36 0.00 -0.08 -4.90 105.19 110.66 1xxm n GLY 1015Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1xxm n GLY 1015CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxm s MET 1016N -0.85 2.57 0.63 1.61 -1.94 -0.91 -4.42 119.30 116.00 1xxm s MET 1016Ca 0.00 1.17 -0.06 0.00 -1.71 0.00 0.00 55.69 55.09 1xxm s MET 1016Cb 0.00 -1.93 0.03 0.00 2.01 0.00 0.00 34.83 34.94 1xxm s MET 1016CO 0.00 -1.40 0.94 0.95 -0.01 0.00 0.00 175.02 175.50 1xxm s THR 1017N -2.79 3.04 0.20 2.05 -4.23 -1.26 -1.02 115.64 111.62 1xxm s THR 1017Ca 0.62 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1xxm s THR 1017Cb -0.17 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.55 1xxm s THR 1017CO 0.52 -0.25 1.83 0.03 -0.54 0.00 0.00 174.62 176.20 1xxm h ARG 1018N -0.34 0.95 -0.33 3.99 3.08 -1.76 -1.85 114.38 118.12 1xxm h ARG 1018Ca -0.45 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.45 1xxm h ARG 1018Cb 1.28 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1xxm h ARG 1018CO 0.60 0.68 -0.03 0.37 -1.07 0.00 0.00 179.97 180.52 1xxm h GLN 1019N 0.95 0.53 -0.36 0.04 5.75 -1.94 -0.36 115.11 119.71 1xxm h GLN 1019Ca 0.25 -0.12 -0.14 0.00 -0.15 0.00 0.00 58.65 58.49 1xxm h GLN 1019Cb -0.01 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1xxm h GLN 1019CO -0.05 0.58 -0.33 1.96 -2.65 0.00 0.00 178.83 178.34 1xxm h GLN 1020N 0.50 0.81 0.10 1.69 4.20 -1.84 -1.08 115.11 119.49 1xxm h GLN 1020Ca 0.10 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 1xxm h GLN 1020Cb 0.37 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1xxm h GLN 1020CO 0.01 1.02 -0.05 0.28 -0.67 0.00 0.00 178.83 179.43 1xxm h VAL 1021N 0.68 1.06 -0.47 -0.54 2.07 -0.86 -2.29 116.25 115.91 1xxm h VAL 1021Ca 0.07 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1xxm h VAL 1021Cb 0.89 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1xxm h VAL 1021CO 0.08 0.15 0.21 -0.07 0.02 0.00 0.00 177.57 177.96 1xxm h LEU 1022N -0.42 0.28 -1.32 2.57 3.38 -1.03 0.13 115.31 118.90 1xxm h LEU 1022Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xxm h LEU 1022Cb 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1xxm h LEU 1022CO 0.02 0.20 -0.01 0.44 0.09 0.00 0.00 178.44 179.18 1xxm h ASP 1023N 0.42 0.41 0.04 -0.43 3.32 -1.19 0.28 116.42 119.26 1xxm h ASP 1023Ca 0.21 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1xxm h ASP 1023Cb 0.16 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1xxm h ASP 1023CO -0.17 0.48 -0.40 0.40 -1.72 0.00 0.00 179.24 177.83 1xxm h ILE 1024N 0.42 1.59 0.00 0.35 2.04 -0.80 -3.35 117.51 117.77 1xxm h ILE 1024Ca 0.09 -2.24 -0.12 0.00 1.00 0.00 0.00 64.86 63.60 1xxm h ILE 1024Cb 0.30 3.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 1xxm h ILE 1024CO 0.01 0.62 -0.56 0.00 0.00 0.00 0.00 178.15 178.21 1xxm h ALA 1025N 0.15 0.92 -0.33 1.87 0.00 -0.67 -3.48 119.26 117.72 1xxm h ALA 1025Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xxm h ALA 1025Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xxm h ALA 1025CO 0.08 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1xxm n GLY 1026N 0.38 0.10 0.37 0.00 0.00 0.96 -4.49 105.19 102.50 1xxm n GLY 1026Ca -0.01 -0.88 0.24 0.00 0.00 0.00 0.00 46.02 45.37 1xxm n GLY 1026CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxm h ALA 1027N 0.00 2.08 -0.15 4.61 0.00 -1.83 -0.33 119.26 123.63 1xxm h ALA 1027Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xxm h ALA 1027Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xxm h ALA 1027CO 0.00 -0.61 0.13 0.93 0.00 0.00 0.00 179.25 179.71 1xxm h GLU 1028N 0.38 0.00 -0.00 0.00 3.07 -1.91 -1.36 114.58 114.76 1xxm h GLU 1028Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 1xxm h GLU 1028Cb 1.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.54 1xxm h GLU 1028CO -0.47 0.00 -0.32 0.09 -1.40 0.00 0.00 179.01 176.91 1xxm n ASN 1029N -4.15 0.49 -4.74 1.42 3.02 -0.13 -4.95 115.26 106.21 1xxm n ASN 1029Ca 0.01 -0.27 -0.22 0.00 -0.03 0.00 0.00 54.58 54.07 1xxm n ASN 1029Cb 0.25 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 1xxm n ASN 1029CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxm s GLU 1031N -3.77 1.23 0.29 0.00 -1.05 -0.03 -4.98 118.70 110.39 1xxm s GLU 1031Ca 0.33 -1.12 -0.12 0.00 -0.15 0.00 0.00 54.97 53.91 1xxm s GLU 1031Cb -0.07 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 1xxm s GLU 1031CO 0.23 -0.47 0.54 -0.08 0.95 0.00 0.00 175.26 176.42 1xxm s THR 1032N -3.95 0.00 0.03 1.83 -1.32 -1.26 -1.16 115.64 109.80 1xxm s THR 1032Ca 0.16 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 1xxm s THR 1032Cb 0.02 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1xxm s THR 1032CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1xxm n GLY 1033N -0.45 -1.86 7.00 6.08 0.00 0.59 -4.87 105.19 111.69 1xxm n GLY 1033Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1xxm n GLY 1033CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxm n GLY 1034N -0.57 3.53 0.30 -0.02 0.00 -1.26 -1.16 105.19 106.00 1xxm n GLY 1034Ca 0.00 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.23 1xxm n GLY 1034CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xxm h SER 1035N 0.00 0.00 -0.50 1.61 0.02 -2.02 -2.87 113.55 109.79 1xxm h SER 1035Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xxm h SER 1035Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xxm h SER 1035CO 0.00 0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.22 1xxm n PHE 1036N -3.38 0.66 0.00 3.45 3.01 -0.31 -5.05 117.46 115.83 1xxm n PHE 1036Ca -0.02 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.05 1xxm n PHE 1036Cb 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1xxm n PHE 1036CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xxm n GLY 1037N 1.31 2.85 0.01 1.37 0.00 -1.08 -1.37 105.19 108.27 1xxm n GLY 1037Ca 0.19 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1xxm n GLY 1037CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xxm n ASP 1038N 2.67 0.06 -4.83 1.61 8.00 -1.26 -0.30 116.55 122.49 1xxm n ASP 1038Ca 0.00 0.51 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 1xxm n ASP 1038Cb 0.00 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 40.65 1xxm n ASP 1038CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xxm s SER 1039N -3.11 4.86 -0.21 -2.24 0.01 -0.47 -4.66 113.70 107.87 1xxm s SER 1039Ca 0.13 1.25 -0.02 0.00 1.31 0.00 0.00 55.95 58.62 1xxm s SER 1039Cb 0.17 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1xxm s SER 1039CO 0.50 -1.73 -0.10 -0.63 0.41 0.00 0.00 173.24 171.70 1xxm s ILE 1040N -3.23 2.89 -0.23 1.44 1.01 -0.04 -4.26 121.20 118.79 1xxm s ILE 1040Ca 0.60 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 1xxm s ILE 1040Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1xxm s ILE 1040CO 0.53 0.44 0.05 -2.28 0.00 0.00 0.00 174.94 173.68 1xxm s HIS 1041N 1.40 3.10 -0.15 3.97 5.65 -0.31 -0.30 115.29 128.64 1xxm s HIS 1041Ca 0.05 -0.35 0.01 0.00 0.25 0.00 0.00 55.06 55.02 1xxm s HIS 1041Cb -0.14 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.09 1xxm s HIS 1041CO -0.07 -0.25 -0.17 0.00 -0.65 0.00 0.00 174.74 173.60 1xxm s ARG 1043N 0.83 4.17 0.00 0.00 0.52 0.19 -1.11 118.95 123.55 1xxm s ARG 1043Ca -0.06 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1xxm s ARG 1043Cb -0.15 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1xxm s ARG 1043CO -0.01 0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1xxm n GLY 1044N 0.98 3.15 3.79 -3.53 0.00 0.10 -1.12 105.19 108.57 1xxm n GLY 1044Ca -0.05 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1xxm n GLY 1044CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xxm s HIS 1045N 3.05 2.95 0.40 1.61 0.00 -1.26 -4.58 115.29 117.46 1xxm s HIS 1045Ca 0.00 1.56 -0.25 0.00 -3.00 0.00 0.00 55.06 53.37 1xxm s HIS 1045Cb 0.00 -3.09 -0.11 0.00 -4.00 0.00 0.00 32.58 25.39 1xxm s HIS 1045CO 0.00 -1.00 1.11 0.00 -1.00 0.00 0.00 174.74 173.85 1xxm n ALA 1046N -1.25 0.55 -3.44 -1.38 0.00 -1.26 -1.78 120.51 111.95 1xxm n ALA 1046Ca 0.09 0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 1xxm n ALA 1046Cb 0.52 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1xxm n ALA 1046CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxm s ALA 1047N -1.22 -1.52 0.00 0.00 0.00 -0.31 -4.71 121.76 113.99 1xxm s ALA 1047Ca 0.62 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1xxm s ALA 1047Cb -0.56 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1xxm s ALA 1047CO 0.58 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1xxm n GLY 1048N 5.40 3.21 0.72 0.00 0.00 -0.75 -1.48 105.19 112.28 1xxm n GLY 1048Ca -0.06 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1xxm n GLY 1048CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xxm n ASP 1049N 6.10 2.20 0.00 1.61 8.00 -1.26 -4.91 116.55 128.29 1xxm n ASP 1049Ca 0.00 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1xxm n ASP 1049Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1xxm n ASP 1049CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xxm n TYR 1050N 0.70 0.00 -3.91 1.24 9.36 -0.55 -5.19 117.16 118.81 1xxm n TYR 1050Ca 0.17 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.30 1xxm n TYR 1050Cb 0.45 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.14 1xxm n TYR 1050CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xxm s TYR 1051N 3.70 0.24 0.48 2.98 1.51 -1.22 -1.17 117.35 123.87 1xxm s TYR 1051Ca 0.00 -0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 55.16 1xxm s TYR 1051Cb 0.00 0.50 -0.09 0.00 -0.11 0.00 0.00 41.96 42.27 1xxm s TYR 1051CO 0.00 -1.27 1.00 0.00 -1.11 0.00 0.00 175.55 174.16 1xxm s ALA 1052N -3.29 2.96 0.29 3.71 0.00 -0.74 -4.74 121.76 119.95 1xxm s ALA 1052Ca 0.18 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 1xxm s ALA 1052Cb -0.04 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1xxm s ALA 1052CO 0.11 -0.19 0.73 1.52 0.00 0.00 0.00 175.76 177.93 1xxm s TYR 1053N -2.23 -0.16 0.02 0.00 -0.85 -0.27 0.01 117.35 113.86 1xxm s TYR 1053Ca 0.63 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1xxm s TYR 1053Cb -0.12 0.72 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 1xxm s TYR 1053CO 0.21 -1.27 -0.04 0.00 -1.52 0.00 0.00 175.55 172.93 1xxm s ALA 1054N -3.74 0.27 -0.06 9.51 0.00 -0.27 -1.37 121.76 126.09 1xxm s ALA 1054Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1xxm s ALA 1054Cb -0.06 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1xxm s ALA 1054CO 0.07 -0.04 -0.07 0.99 0.00 0.00 0.00 175.76 176.72 1xxm s THR 1055N -0.83 0.79 -0.20 0.00 2.01 0.51 -0.24 115.64 117.68 1xxm s THR 1055Ca -0.07 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 1xxm s THR 1055Cb -0.06 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1xxm s THR 1055CO -0.00 0.29 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.76 1xxm s PHE 1056N 1.01 2.89 0.10 4.92 0.08 0.59 -1.15 117.98 126.42 1xxm s PHE 1056Ca -0.09 -1.14 -0.06 0.00 0.12 0.00 0.00 56.93 55.76 1xxm s PHE 1056Cb -0.14 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1xxm s PHE 1056CO -0.00 -0.61 0.35 0.20 -0.10 0.00 0.00 175.22 175.06 1xxm s GLY 1057N 1.34 2.26 0.23 4.36 0.00 -0.26 -0.86 107.32 114.38 1xxm s GLY 1057Ca 0.04 -0.54 0.11 0.00 0.00 0.00 0.00 44.72 44.33 1xxm s GLY 1057CO -0.06 -0.42 -0.20 -1.36 0.00 0.00 0.00 173.10 171.06 1xxm s PHE 1058N -1.52 2.14 0.54 1.90 0.40 -1.26 -0.86 117.98 119.31 1xxm s PHE 1058Ca 0.36 -0.39 0.21 0.00 -0.60 0.00 0.00 56.93 56.51 1xxm s PHE 1058Cb -0.13 -0.99 1.44 0.00 0.51 0.00 0.00 43.02 43.85 1xxm s PHE 1058CO 0.22 0.55 2.16 1.79 0.70 0.00 0.00 175.22 180.64 1xxm h THR 1059N 2.72 0.83 -2.59 0.64 1.35 -1.35 -3.46 112.91 111.06 1xxm h THR 1059Ca -0.42 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1xxm h THR 1059Cb 1.23 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1xxm h THR 1059CO 0.55 0.00 0.14 -1.54 -0.25 0.00 0.00 175.52 174.43 1xxm n SER 1060N -4.32 -1.27 -0.09 5.36 3.41 -1.26 -5.00 113.62 110.45 1xxm n SER 1060Ca -0.02 -1.91 0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1xxm n SER 1060Cb 0.15 2.13 0.39 0.00 -0.26 0.00 0.00 64.21 66.61 1xxm n SER 1060CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xxm n ALA 1061N -1.63 3.15 -0.97 7.33 0.00 -1.26 -4.74 120.51 122.39 1xxm n ALA 1061Ca -0.09 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1xxm n ALA 1061Cb 0.33 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.72 1xxm n ALA 1061CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxm n ALA 1062N -1.16 -0.81 0.32 0.00 0.00 -1.26 -4.88 120.51 112.73 1xxm n ALA 1062Ca 0.09 -0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.26 1xxm n ALA 1062Cb 0.33 -2.12 0.57 0.00 0.00 0.00 0.00 19.45 18.23 1xxm n ALA 1062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxm h ALA 1063N -1.19 1.00 -0.53 0.00 0.00 -2.04 -2.75 119.26 113.75 1xxm h ALA 1063Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xxm h ALA 1063Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xxm h ALA 1063CO 0.42 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1xxm n ASP 1064N -2.82 4.06 -4.67 0.00 5.75 -1.26 -4.35 116.55 113.26 1xxm n ASP 1064Ca 0.02 -2.34 -0.31 0.00 -0.01 0.00 0.00 54.79 52.15 1xxm n ASP 1064Cb 0.32 -0.47 0.16 0.00 -1.03 0.00 0.00 41.12 40.10 1xxm n ASP 1064CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xxm s ALA 1065N -1.64 1.37 0.13 2.12 0.00 -1.04 -4.96 121.76 117.75 1xxm s ALA 1065Ca 0.43 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1xxm s ALA 1065Cb 0.27 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1xxm s ALA 1065CO 0.22 -2.71 -0.15 0.15 0.00 0.00 0.00 175.76 173.27 1xxm s LYS 1066N -4.68 1.90 -0.02 0.00 3.01 -1.26 -4.19 119.74 114.49 1xxm s LYS 1066Ca 0.66 -1.19 -0.30 0.00 -1.01 0.00 0.00 55.97 54.13 1xxm s LYS 1066Cb -0.22 -2.15 -0.06 0.00 -1.01 0.00 0.00 37.83 34.39 1xxm s LYS 1066CO 0.58 0.47 1.63 0.08 0.51 0.00 0.00 175.35 178.63 1xxm s VAL 1067N -1.33 3.47 0.00 3.17 1.01 -0.19 -0.88 120.40 125.66 1xxm s VAL 1067Ca 0.20 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1xxm s VAL 1067Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1xxm s VAL 1067CO 0.12 -0.04 0.45 -0.90 0.00 0.00 0.00 175.10 174.72 1xxm n ASP 1068N 6.64 0.88 -3.74 3.32 5.75 -0.04 -0.91 116.55 128.45 1xxm n ASP 1068Ca 0.17 -1.04 -0.12 0.00 -0.01 0.00 0.00 54.79 53.78 1xxm n ASP 1068Cb 0.42 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.40 1xxm n ASP 1068CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xxm s SER 1069N -0.04 -0.33 -0.10 -1.12 0.15 -1.07 -1.31 113.70 109.89 1xxm s SER 1069Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1xxm s SER 1069Cb 0.00 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1xxm s SER 1069CO 0.00 -0.14 -0.08 -0.54 1.20 0.00 0.00 173.24 173.67 1xxm s LYS 1070N 0.80 1.51 0.03 5.44 1.02 -0.28 -1.10 119.74 127.16 1xxm s LYS 1070Ca -0.05 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1xxm s LYS 1070Cb -0.06 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1xxm s LYS 1070CO -0.05 -0.18 -0.10 -1.12 -0.92 0.00 0.00 175.35 172.97 1xxm s SER 1071N 1.40 1.19 -0.01 2.83 0.01 -0.30 -0.95 113.70 117.87 1xxm s SER 1071Ca -0.01 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 56.62 1xxm s SER 1071Cb -0.13 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.09 1xxm s SER 1071CO -0.05 -0.02 0.55 0.00 0.41 0.00 0.00 173.24 174.13 1xxm s GLN 1072N -0.97 0.96 -0.03 12.44 1.03 0.28 -0.37 119.66 133.00 1xxm s GLN 1072Ca -0.01 0.01 0.00 0.00 0.04 0.00 0.00 55.36 55.40 1xxm s GLN 1072Cb -0.07 0.44 0.03 0.00 0.03 0.00 0.00 33.01 33.44 1xxm s GLN 1072CO 0.01 -0.31 0.00 -1.21 -2.54 0.00 0.00 175.29 171.24 1xxm s GLU 1073N -1.59 0.31 -1.17 9.60 2.02 -0.47 -4.57 118.70 122.83 1xxm s GLU 1073Ca -0.10 0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1xxm s GLU 1073Cb -0.01 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.68 1xxm s GLU 1073CO 0.05 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.17 1xxm n ALA 1074N 4.31 -0.17 -0.12 5.21 0.00 -1.26 -1.12 120.51 127.36 1xxm n ALA 1074Ca -0.23 0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1xxm n ALA 1074Cb 0.50 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1xxm n ALA 1074CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xxm n LEU 1075N -1.25 2.49 -4.81 0.00 4.77 -1.26 -4.82 117.00 112.12 1xxm n LEU 1075Ca -0.11 -0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.39 1xxm n LEU 1075Cb 0.45 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1xxm n LEU 1075CO 0.17 0.87 -0.15 -0.76 -1.33 0.00 0.00 177.39 176.19 1xxm s LEU 1076N -6.35 4.31 -0.09 2.23 1.43 -1.26 -3.45 118.68 115.50 1xxm s LEU 1076Ca -0.31 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1xxm s LEU 1076Cb 0.08 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1xxm s LEU 1076CO 0.64 0.29 -0.02 0.00 0.23 0.00 0.00 176.35 177.49 1xxm s ALA 1077N -0.35 3.18 0.35 4.21 0.00 -1.26 -4.97 121.76 122.92 1xxm s ALA 1077Ca 0.13 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 1xxm s ALA 1077Cb -0.12 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 1xxm s ALA 1077CO 0.02 0.53 1.33 -1.25 0.00 0.00 0.00 175.76 176.39 1xxm s PRO 1078N -0.67 4.25 0.22 0.00 0.04 -1.26 -4.93 135.00 132.65 1xxm s PRO 1078Ca 0.11 2.25 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1xxm s PRO 1078Cb -0.12 -3.00 0.21 0.00 0.04 0.00 0.00 34.50 31.63 1xxm s PRO 1078CO 0.02 -0.29 1.57 0.66 0.04 0.00 0.00 177.00 179.00 1xxm h SER 1079N 3.20 0.55 -1.25 6.66 4.64 -1.81 -3.40 113.55 122.14 1xxm h SER 1079Ca -0.49 -0.26 -0.23 0.00 -0.47 0.00 0.00 61.79 60.33 1xxm h SER 1079Cb 1.23 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.96 1xxm h SER 1079CO 0.65 0.93 -0.58 0.00 -0.87 0.00 0.00 176.83 176.96 1xxm n ALA 1080N -2.50 -1.02 -2.01 5.18 0.00 0.36 -5.02 120.51 115.50 1xxm n ALA 1080Ca -0.02 -1.40 -0.43 0.00 0.00 0.00 0.00 53.44 51.59 1xxm n ALA 1080Cb 0.54 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1xxm n ALA 1080CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xxm s PRO 1081N 0.72 3.70 -0.02 0.00 0.04 -1.04 -3.09 135.00 135.30 1xxm s PRO 1081Ca 0.31 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1xxm s PRO 1081Cb 0.01 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.50 1xxm s PRO 1081CO -0.08 -1.42 0.87 0.25 0.04 0.00 0.00 177.00 176.66 1xxm n THR 1082N 6.60 0.56 -1.89 1.26 -2.24 -1.25 -3.14 114.28 114.18 1xxm n THR 1082Ca 0.20 -0.64 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 1xxm n THR 1082Cb 0.45 0.52 0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1xxm n THR 1082CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xxm s LEU 1083N -0.75 4.09 0.20 3.22 2.96 -1.17 -4.83 118.68 122.41 1xxm s LEU 1083Ca 0.06 2.79 -0.02 0.00 -0.22 0.00 0.00 54.13 56.74 1xxm s LEU 1083Cb 0.05 -4.00 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 1xxm s LEU 1083CO 0.01 -1.14 0.15 0.42 -1.32 0.00 0.00 176.35 174.47 1xxm s THR 1084N -1.25 0.00 0.22 3.68 -4.23 -1.26 -4.02 115.64 108.78 1xxm s THR 1084Ca 0.62 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1xxm s THR 1084Cb -0.41 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.06 1xxm s THR 1084CO 0.52 -0.02 1.71 0.25 -0.54 0.00 0.00 174.62 176.53 1xxm h LEU 1085N 2.61 0.90 -0.29 4.79 5.85 -1.57 -0.91 115.31 126.70 1xxm h LEU 1085Ca -0.35 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1xxm h LEU 1085Cb 1.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1xxm h LEU 1085CO 0.52 0.96 0.19 0.00 -0.34 0.00 0.00 178.44 179.77 1xxm h ALA 1086N 1.14 0.36 -0.46 1.25 0.00 -1.96 -0.40 119.26 119.19 1xxm h ALA 1086Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xxm h ALA 1086Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xxm h ALA 1086CO 0.02 -0.17 0.05 0.87 0.00 0.00 0.00 179.25 180.02 1xxm h LYS 1087N 0.38 0.78 -0.53 0.00 1.57 -1.82 -2.96 116.57 113.99 1xxm h LYS 1087Ca 0.11 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1xxm h LYS 1087Cb -0.04 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 1xxm h LYS 1087CO -0.03 0.81 0.26 0.35 -0.57 0.00 0.00 179.45 180.27 1xxm h PHE 1088N 0.64 0.48 0.00 -1.35 3.57 -0.84 -1.13 116.94 118.31 1xxm h PHE 1088Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xxm h PHE 1088Cb 0.42 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xxm h PHE 1088CO 0.03 0.22 0.00 -0.91 -2.23 0.00 0.00 178.31 175.42 1xxm h ASN 1089N 0.50 0.00 0.73 0.41 -0.26 -0.94 -1.95 115.58 114.08 1xxm h ASN 1089Ca 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1xxm h ASN 1089Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1xxm h ASN 1089CO -0.18 0.00 -0.57 0.00 -1.06 0.00 0.00 177.43 175.63 1xxm n GLN 1090N -2.76 0.18 -2.34 0.81 6.02 -0.44 -4.86 117.38 113.99 1xxm n GLN 1090Ca -0.01 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 1xxm n GLN 1090Cb 0.13 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1xxm n GLN 1090CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xxm s VAL 1091N -3.10 3.30 -0.01 5.09 1.01 -0.73 -5.03 120.40 120.92 1xxm s VAL 1091Ca 0.08 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.31 1xxm s VAL 1091Cb 0.15 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1xxm s VAL 1091CO 0.71 0.25 -0.09 0.42 0.00 0.00 0.00 175.10 176.39 1xxm s THR 1092N -0.74 0.75 0.25 3.92 -4.23 -1.26 -5.05 115.64 109.28 1xxm s THR 1092Ca 0.49 -0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 60.29 1xxm s THR 1092Cb -0.34 -0.63 -0.13 0.00 1.34 0.00 0.00 72.50 72.74 1xxm s THR 1092CO 0.42 0.21 1.44 0.52 -0.54 0.00 0.00 174.62 176.68 1xxm n VAL 1093N 2.85 0.98 0.00 2.29 0.31 -1.26 -1.81 118.33 121.68 1xxm n VAL 1093Ca -0.13 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1xxm n VAL 1093Cb 0.57 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1xxm n VAL 1093CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xxm n GLY 1094N 2.14 2.07 3.77 2.92 0.00 -0.52 -5.00 105.19 110.59 1xxm n GLY 1094Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1xxm n GLY 1094CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxm s MET 1095N -0.53 3.28 0.65 1.61 1.00 -0.75 -4.63 119.30 119.93 1xxm s MET 1095Ca 0.00 1.55 -0.08 0.00 0.00 0.00 0.00 55.69 57.16 1xxm s MET 1095Cb 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 34.83 32.86 1xxm s MET 1095CO 0.00 -0.90 0.98 0.95 0.00 0.00 0.00 175.02 176.06 1xxm s THR 1096N -1.90 3.19 0.27 2.05 -4.23 -1.26 -0.27 115.64 113.48 1xxm s THR 1096Ca 0.71 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1xxm s THR 1096Cb -0.23 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.56 1xxm s THR 1096CO 0.29 -0.36 1.88 -0.09 -0.54 0.00 0.00 174.62 175.81 1xxm h ARG 1097N -0.43 1.14 -0.17 3.99 2.43 -1.90 -0.83 114.38 118.61 1xxm h ARG 1097Ca -0.45 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1xxm h ARG 1097Cb 1.27 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1xxm h ARG 1097CO 0.62 0.75 0.05 0.00 -1.51 0.00 0.00 179.97 179.88 1xxm h ALA 1098N 1.46 0.18 -0.93 2.80 0.00 -1.93 -0.26 119.26 120.58 1xxm h ALA 1098Ca 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1xxm h ALA 1098Cb 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1xxm h ALA 1098CO -0.18 -0.38 0.57 1.96 0.00 0.00 0.00 179.25 181.22 1xxm h GLN 1099N 0.13 1.26 -0.16 0.00 4.20 -1.73 -1.08 115.11 117.73 1xxm h GLN 1099Ca 0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1xxm h GLN 1099Cb 0.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1xxm h GLN 1099CO -0.08 0.87 0.07 0.28 -0.67 0.00 0.00 178.83 179.30 1xxm h VAL 1100N 1.28 1.14 -0.35 -0.54 2.07 -0.71 -2.44 116.25 116.69 1xxm h VAL 1100Ca 0.34 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1xxm h VAL 1100Cb -0.07 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xxm h VAL 1100CO -0.06 0.13 0.08 -0.07 0.02 0.00 0.00 177.57 177.66 1xxm h LEU 1101N 0.12 0.47 -1.56 2.57 3.38 -0.74 -0.09 115.31 119.47 1xxm h LEU 1101Ca 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xxm h LEU 1101Cb 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xxm h LEU 1101CO -0.01 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.89 1xxm h ALA 1102N 1.59 1.07 0.13 1.53 0.00 -0.95 -0.81 119.26 121.82 1xxm h ALA 1102Ca 0.12 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1xxm h ALA 1102Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xxm h ALA 1102CO -0.00 0.14 -1.65 1.15 0.00 0.00 0.00 179.25 178.89 1xxm h THR 1103N 0.00 0.88 -0.00 0.00 2.02 -0.60 -3.40 112.91 111.82 1xxm h THR 1103Ca -0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1xxm h THR 1103Cb 0.52 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1xxm h THR 1103CO 0.01 0.77 -0.83 1.33 0.37 0.00 0.00 175.52 177.18 1xxm n VAL 1104N -3.76 0.00 0.00 3.16 0.24 -0.31 -4.80 118.33 112.85 1xxm n VAL 1104Ca -0.27 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1xxm n VAL 1104Cb 0.97 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1xxm n VAL 1104CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxm n GLY 1105N 1.50 3.01 0.32 7.63 0.00 -0.31 -3.49 105.19 113.84 1xxm n GLY 1105Ca 0.05 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.88 1xxm n GLY 1105CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xxm h GLN 1106N 0.00 0.00 -0.10 1.61 1.08 -1.87 -2.52 115.11 113.32 1xxm h GLN 1106Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1xxm h GLN 1106Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1xxm h GLN 1106CO 0.00 0.00 -0.04 0.41 -0.95 0.00 0.00 178.83 178.25 1xxm n GLY 1107N -1.28 4.66 0.07 3.46 0.00 -1.25 -4.68 105.19 106.17 1xxm n GLY 1107Ca -0.02 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1xxm n GLY 1107CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xxm n SER 1108N -1.12 0.70 -4.41 1.61 7.64 -0.95 -0.48 113.62 116.61 1xxm n SER 1108Ca 0.19 0.18 -0.21 0.00 1.01 0.00 0.00 58.87 60.04 1xxm n SER 1108Cb 0.74 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.86 1xxm n SER 1108CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xxm s THR 1110N -2.74 1.02 -0.33 0.00 -4.23 -0.17 -4.75 115.64 104.43 1xxm s THR 1110Ca 0.26 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 1xxm s THR 1110Cb -0.03 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.33 1xxm s THR 1110CO 0.11 -0.60 0.98 -0.89 -0.54 0.00 0.00 174.62 173.68 1xxm s THR 1111N -2.66 4.58 -0.12 3.99 2.01 -1.26 -0.76 115.64 121.41 1xxm s THR 1111Ca 0.09 1.49 -0.23 0.00 0.31 0.00 0.00 61.69 63.34 1xxm s THR 1111Cb -0.01 -4.35 -0.20 0.00 0.01 0.00 0.00 72.50 67.94 1xxm s THR 1111CO 0.00 -0.46 0.68 -0.25 -0.69 0.00 0.00 174.62 173.91 1xxm h TRP 1112N 8.21 -0.02 -3.21 4.92 2.91 -0.60 -3.40 115.95 124.76 1xxm h TRP 1112Ca -0.22 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.65 1xxm h TRP 1112Cb 1.07 0.01 -0.23 0.00 -0.51 0.00 0.00 29.16 29.49 1xxm h TRP 1112CO 0.82 0.74 -0.42 -1.54 -1.03 0.00 0.00 178.44 177.02 1xxm s SER 1113N -6.01 -0.18 -0.08 2.65 1.04 -0.97 -0.56 113.70 109.59 1xxm s SER 1113Ca -0.15 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 1xxm s SER 1113Cb -0.02 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1xxm s SER 1113CO 0.56 -0.22 0.11 -0.70 0.98 0.00 0.00 173.24 173.97 1xxm s GLU 1114N -0.50 -0.01 -0.02 4.02 2.12 -0.13 -0.44 118.70 123.75 1xxm s GLU 1114Ca -0.06 0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1xxm s GLU 1114Cb -0.04 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.77 1xxm s GLU 1114CO 0.01 -0.37 -0.08 -0.47 -0.54 0.00 0.00 175.26 173.81 1xxm s TYR 1115N 2.22 0.85 -0.49 5.30 6.04 -0.23 -1.13 117.35 129.91 1xxm s TYR 1115Ca 0.04 -0.20 -0.00 0.00 0.04 0.00 0.00 57.07 56.95 1xxm s TYR 1115Cb -0.13 -0.60 0.13 0.00 -1.04 0.00 0.00 41.96 40.32 1xxm s TYR 1115CO -0.05 -0.08 0.26 0.71 -1.54 0.00 0.00 175.55 174.85 1xxm s TYR 1116N 0.14 3.47 -0.23 4.97 1.51 -0.43 -1.25 117.35 125.53 1xxm s TYR 1116Ca -0.02 -2.79 0.25 0.00 -1.01 0.00 0.00 57.07 53.50 1xxm s TYR 1116Cb -0.07 -3.07 1.20 0.00 -0.11 0.00 0.00 41.96 39.90 1xxm s TYR 1116CO 0.00 -0.87 1.76 -1.00 -1.11 0.00 0.00 175.55 174.33 1xxm h PRO 1117N 7.29 0.00 -0.12 -1.71 0.13 -1.83 -2.59 132.00 133.18 1xxm h PRO 1117Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1xxm h PRO 1117Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xxm h PRO 1117CO 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1xxm n ALA 1118N -1.83 2.40 -1.48 -0.56 0.00 -1.26 -5.06 120.51 112.73 1xxm n ALA 1118Ca 0.00 -2.03 -0.47 0.00 0.00 0.00 0.00 53.44 50.94 1xxm n ALA 1118Cb 0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1xxm n ALA 1118CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xxm n TYR 1119N -0.75 0.25 0.33 0.00 4.19 -0.98 -0.72 117.16 119.49 1xxm n TYR 1119Ca 0.14 0.87 0.08 0.00 3.31 0.00 0.00 57.90 62.30 1xxm n TYR 1119Cb 0.61 -2.08 0.36 0.00 0.49 0.00 0.00 39.34 38.71 1xxm n TYR 1119CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1xxm n PRO 1120N 0.98 0.08 -2.21 2.98 -0.04 -1.26 -5.07 135.00 130.46 1xxm n PRO 1120Ca 0.15 0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 63.63 1xxm n PRO 1120Cb 0.27 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1xxm n PRO 1120CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xxm s SER 1121N -3.56 6.33 0.00 3.54 0.15 0.10 -4.92 113.70 115.34 1xxm s SER 1121Ca 0.04 2.42 0.25 0.00 0.70 0.00 0.00 55.95 59.35 1xxm s SER 1121Cb 0.07 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 62.30 1xxm s SER 1121CO 0.25 -0.82 1.45 0.35 1.20 0.00 0.00 173.24 175.68 1xxm n THR 1122N -0.11 0.12 -2.08 6.45 -2.24 -1.26 -4.26 114.28 110.90 1xxm n THR 1122Ca 0.05 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 1xxm n THR 1122Cb 0.46 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 1xxm n THR 1122CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xxm s ALA 1123N -1.88 3.57 0.00 6.98 0.00 -1.26 -2.52 121.76 126.65 1xxm s ALA 1123Ca 0.33 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1xxm s ALA 1123Cb 0.20 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1xxm s ALA 1123CO 0.31 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1xxm n GLY 1124N 1.88 0.59 3.67 0.00 0.00 -1.26 -4.27 105.19 105.80 1xxm n GLY 1124Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1xxm n GLY 1124CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xxm n VAL 1125N -2.81 0.30 -4.67 1.61 3.14 -1.05 -4.59 118.33 110.27 1xxm n VAL 1125Ca 0.00 -0.08 -0.34 0.00 -2.96 0.00 0.00 64.34 60.97 1xxm n VAL 1125Cb 0.00 -1.53 -0.12 0.00 -1.06 0.00 0.00 33.84 31.13 1xxm n VAL 1125CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1xxm s THR 1126N 0.60 3.57 -0.04 1.55 -4.23 -0.38 -0.44 115.64 116.26 1xxm s THR 1126Ca 0.75 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1xxm s THR 1126Cb -0.66 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 70.75 1xxm s THR 1126CO 0.42 0.59 0.09 -0.22 -0.54 0.00 0.00 174.62 174.95 1xxm s LEU 1127N -0.67 0.89 -0.13 4.79 0.20 -0.51 -1.07 118.68 122.18 1xxm s LEU 1127Ca 0.10 0.17 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 1xxm s LEU 1127Cb -0.11 0.15 -0.02 0.00 -0.43 0.00 0.00 46.19 45.78 1xxm s LEU 1127CO 0.02 -0.14 -0.11 -0.44 -0.29 0.00 0.00 176.35 175.38 1xxm s SER 1128N 1.12 4.15 -0.02 3.68 0.01 0.42 0.32 113.70 123.39 1xxm s SER 1128Ca -0.09 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1xxm s SER 1128Cb -0.12 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1xxm s SER 1128CO -0.05 0.18 -0.04 -0.76 0.41 0.00 0.00 173.24 172.98 1xxm s LEU 1129N 0.29 3.32 -0.25 2.44 1.43 0.13 0.08 118.68 126.12 1xxm s LEU 1129Ca -0.09 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1xxm s LEU 1129Cb -0.15 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1xxm s LEU 1129CO 0.05 0.30 -0.02 -0.44 0.23 0.00 0.00 176.35 176.48 1xxm s SER 1130N -1.31 4.51 0.07 2.29 0.01 0.06 -1.56 113.70 117.77 1xxm s SER 1130Ca 0.17 -0.61 0.09 0.00 1.31 0.00 0.00 55.95 56.90 1xxm s SER 1130Cb -0.11 -1.75 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1xxm s SER 1130CO 0.07 -0.09 -0.22 0.00 0.41 0.00 0.00 173.24 173.40 1xxm s PHE 1132N -0.94 1.18 0.77 0.00 0.40 -0.59 0.09 117.98 118.90 1xxm s PHE 1132Ca 0.14 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 55.72 1xxm s PHE 1132Cb -0.10 -0.63 0.17 0.00 0.51 0.00 0.00 43.02 42.97 1xxm s PHE 1132CO 0.05 0.05 1.05 -0.40 0.70 0.00 0.00 175.22 176.67 1xxm n ASP 1133N 0.36 0.51 -0.33 1.36 5.68 -0.72 -3.02 116.55 120.39 1xxm n ASP 1133Ca -0.14 -1.64 0.32 0.00 -0.50 0.00 0.00 54.79 52.82 1xxm n ASP 1133Cb 0.58 -0.77 0.58 0.00 -1.14 0.00 0.00 41.12 40.38 1xxm n ASP 1133CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1xxm h VAL 1134N -1.26 0.03 0.00 2.12 3.04 -1.71 -0.95 116.25 117.52 1xxm h VAL 1134Ca -0.34 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1xxm h VAL 1134Cb 1.05 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1xxm h VAL 1134CO 0.28 0.01 -0.06 0.47 -1.01 0.00 0.00 177.57 177.25 1xxm n ASP 1135N -5.23 1.78 -0.14 3.17 8.00 -1.26 -4.81 116.55 118.07 1xxm n ASP 1135Ca 0.38 -2.49 -0.08 0.00 0.71 0.00 0.00 54.79 53.30 1xxm n ASP 1135Cb 1.27 -0.25 0.08 0.00 -0.02 0.00 0.00 41.12 42.20 1xxm n ASP 1135CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1xxm h GLY 1136N 0.00 0.97 -4.24 0.44 0.00 -1.16 -3.42 103.07 95.65 1xxm h GLY 1136Ca 0.00 -0.76 -0.52 0.00 0.00 0.00 0.00 47.33 46.05 1xxm h GLY 1136CO 0.00 0.69 0.54 -0.47 0.00 0.00 0.00 176.54 177.31 1xxm s TYR 1137N -4.81 3.47 -0.11 5.60 5.04 -1.26 -1.09 117.35 124.18 1xxm s TYR 1137Ca -0.10 1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 1xxm s TYR 1137Cb 0.13 -3.39 0.06 0.00 0.35 0.00 0.00 41.96 39.11 1xxm s TYR 1137CO 0.84 -1.10 0.21 0.45 -1.34 0.00 0.00 175.55 174.61 1xxm s SER 1138N 0.37 0.64 0.09 4.32 0.15 -1.26 -4.95 113.70 113.06 1xxm s SER 1138Ca 0.54 0.39 -0.13 0.00 0.70 0.00 0.00 55.95 57.46 1xxm s SER 1138Cb -0.31 0.46 -0.19 0.00 -1.71 0.00 0.00 66.02 64.27 1xxm s SER 1138CO 0.34 -0.25 1.24 0.77 1.20 0.00 0.00 173.24 176.54 1xxm h SER 1139N 8.33 0.89 0.29 5.45 4.64 -1.95 -3.36 113.55 127.84 1xxm h SER 1139Ca -0.14 -0.67 -0.14 0.00 -0.47 0.00 0.00 61.79 60.37 1xxm h SER 1139Cb 1.12 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1xxm h SER 1139CO 0.15 1.47 -1.84 0.35 -0.87 0.00 0.00 176.83 176.09 1xxm n THR 1140N -3.87 0.75 0.00 2.95 -2.24 -1.26 -4.72 114.28 105.89 1xxm n THR 1140Ca -0.09 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1xxm n THR 1140Cb 0.83 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1xxm n THR 1140CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxm n GLY 1141N 1.42 0.78 3.17 3.38 0.00 -1.26 -1.80 105.19 110.87 1xxm n GLY 1141Ca -0.13 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1xxm n GLY 1141CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxm s ALA 1142N -3.01 1.29 0.22 4.61 0.00 -1.26 -4.45 121.76 119.16 1xxm s ALA 1142Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 51.96 50.74 1xxm s ALA 1142Cb 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 23.12 22.79 1xxm s ALA 1142CO 0.00 0.25 1.53 0.00 0.00 0.00 0.00 175.76 177.54 1xxm n ALA 1143N 1.79 1.61 -3.69 0.00 0.00 -1.26 -4.65 120.51 114.32 1xxm n ALA 1143Ca -0.18 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1xxm n ALA 1143Cb 0.54 -2.36 -0.12 0.00 0.00 0.00 0.00 19.45 17.51 1xxm n ALA 1143CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xxm s ARG 1144N 0.23 1.50 0.00 0.00 0.52 -0.25 -4.86 118.95 116.10 1xxm s ARG 1144Ca 0.72 -2.38 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 1xxm s ARG 1144Cb -0.62 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1xxm s ARG 1144CO 0.43 -1.25 0.00 0.41 0.02 0.00 0.00 175.30 174.91 1xxm n GLY 1145N 2.97 0.45 3.65 -3.53 0.00 -1.18 -3.34 105.19 104.21 1xxm n GLY 1145Ca 0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1xxm n GLY 1145CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxm s SER 1146N 0.00 0.14 0.13 1.61 1.04 -0.64 -1.75 113.70 114.24 1xxm s SER 1146Ca 0.00 -1.06 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 1xxm s SER 1146Cb 0.00 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.81 1xxm s SER 1146CO 0.00 -1.32 0.31 0.00 0.98 0.00 0.00 173.24 173.21 1xxm s ALA 1147N -3.43 -0.39 -0.14 5.32 0.00 0.11 -0.80 121.76 122.44 1xxm s ALA 1147Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1xxm s ALA 1147Cb -0.02 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1xxm s ALA 1147CO 0.12 -0.62 -0.15 -1.58 0.00 0.00 0.00 175.76 173.53 1xxm s HIS 1148N -3.89 2.13 -0.14 0.00 2.46 0.41 -1.17 115.29 115.11 1xxm s HIS 1148Ca 0.09 -1.15 0.01 0.00 0.47 0.00 0.00 55.06 54.48 1xxm s HIS 1148Cb 0.03 -1.56 0.02 0.00 -0.13 0.00 0.00 32.58 30.94 1xxm s HIS 1148CO -0.07 -0.62 -0.16 -0.51 -2.47 0.00 0.00 174.74 170.92 1xxm s LEU 1149N 1.34 1.79 -0.02 8.88 1.43 -0.60 -1.68 118.68 129.82 1xxm s LEU 1149Ca 0.02 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1xxm s LEU 1149Cb -0.13 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1xxm s LEU 1149CO -0.08 -0.01 -0.21 -1.66 0.23 0.00 0.00 176.35 174.62 1xxm s TRP 1150N 1.24 2.49 0.24 0.29 -2.14 -1.00 0.22 118.94 120.28 1xxm s TRP 1150Ca 0.00 -0.31 0.07 0.00 2.66 0.00 0.00 56.10 58.52 1xxm s TRP 1150Cb -0.14 -1.53 -0.05 0.00 -3.10 0.00 0.00 33.47 28.65 1xxm s TRP 1150CO -0.07 0.10 -0.11 -0.06 -2.66 0.00 0.00 176.95 174.14 1xxm s PHE 1151N -0.72 1.81 -0.04 1.66 0.40 0.15 -0.41 117.98 120.83 1xxm s PHE 1151Ca 0.11 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1xxm s PHE 1151Cb -0.10 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.54 1xxm s PHE 1151CO 0.01 0.33 0.02 0.99 0.70 0.00 0.00 175.22 177.27 1xxm s THR 1152N -2.98 0.16 -1.49 0.64 2.01 -0.50 -1.42 115.64 112.05 1xxm s THR 1152Ca 0.25 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.32 1xxm s THR 1152Cb 0.01 -0.31 0.07 0.00 0.01 0.00 0.00 72.50 72.27 1xxm s THR 1152CO 0.09 0.19 0.93 0.47 -0.69 0.00 0.00 174.62 175.61 1xxm n ASP 1153N 4.74 -5.05 0.00 3.53 8.00 0.41 -1.72 116.55 126.45 1xxm n ASP 1153Ca -0.15 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1xxm n ASP 1153Cb 0.50 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 1xxm n ASP 1153CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xxm n GLY 1154N -1.67 0.50 3.40 0.44 0.00 -1.26 -5.01 105.19 101.59 1xxm n GLY 1154Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1xxm n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxm s VAL 1155N -2.27 3.10 0.10 1.61 1.01 -0.70 -2.61 120.40 120.64 1xxm s VAL 1155Ca 0.00 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1xxm s VAL 1155Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1xxm s VAL 1155CO 0.00 0.54 1.65 -0.22 0.00 0.00 0.00 175.10 177.07 1xxm s LEU 1156N 0.08 4.37 -0.15 3.92 2.96 0.63 -1.42 118.68 129.07 1xxm s LEU 1156Ca -0.05 2.54 0.18 0.00 -0.22 0.00 0.00 54.13 56.58 1xxm s LEU 1156Cb -0.15 -3.57 -0.26 0.00 0.50 0.00 0.00 46.19 42.71 1xxm s LEU 1156CO 0.04 -0.89 0.17 0.00 -1.32 0.00 0.00 176.35 174.36 1xxm n GLN 1157N 5.24 0.79 -3.74 1.98 1.13 0.45 -1.43 117.38 121.80 1xxm n GLN 1157Ca 0.16 -0.06 -0.01 0.00 -1.94 0.00 0.00 57.00 55.15 1xxm n GLN 1157Cb 0.40 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 1xxm n GLN 1157CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xxm s GLY 1158N -5.11 -0.24 0.06 1.08 0.00 -1.17 -4.94 107.32 97.00 1xxm s GLY 1158Ca -0.09 0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.71 1xxm s GLY 1158CO 0.81 0.79 0.41 -1.59 0.00 0.00 0.00 173.10 173.52 1xxm s LYS 1159N -2.71 0.94 -0.20 2.90 -2.85 -1.26 -2.39 119.74 114.18 1xxm s LYS 1159Ca 0.16 -0.42 -0.26 0.00 -1.00 0.00 0.00 55.97 54.45 1xxm s LYS 1159Cb 0.01 0.42 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 1xxm s LYS 1159CO 0.00 -0.33 0.69 0.50 0.10 0.00 0.00 175.35 176.31 1xxm s ARG 1160N -2.69 0.88 0.16 1.78 3.52 -0.68 -5.00 118.95 116.93 1xxm s ARG 1160Ca -0.04 0.75 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 1xxm s ARG 1160Cb -0.00 0.43 -0.05 0.00 -1.56 0.00 0.00 34.95 33.77 1xxm s ARG 1160CO -0.04 -0.16 -0.04 1.14 -0.81 0.00 0.00 175.30 175.38 1xxm s GLN 1161N -0.10 1.08 -0.04 5.12 1.03 -1.26 -0.44 119.66 125.05 1xxm s GLN 1161Ca -0.03 -1.49 -0.01 0.00 0.04 0.00 0.00 55.36 53.86 1xxm s GLN 1161Cb -0.03 -0.43 0.03 0.00 0.03 0.00 0.00 33.01 32.61 1xxm s GLN 1161CO 0.04 -0.04 0.03 -1.58 -2.54 0.00 0.00 175.29 171.20 1xxm s TRP 1162N -3.51 0.20 -1.65 9.60 0.51 0.02 -4.91 118.94 119.20 1xxm s TRP 1162Ca 0.20 0.11 0.00 0.00 -2.12 0.00 0.00 56.10 54.30 1xxm s TRP 1162Cb 0.05 -0.46 0.00 0.00 -0.81 0.00 0.00 33.47 32.24 1xxm s TRP 1162CO 0.02 -0.18 0.00 -0.25 -0.51 0.00 0.00 176.95 176.03 1xxm n ASP 1163N 4.80 -5.09 -4.81 2.95 8.00 -1.26 -1.62 116.55 119.52 1xxm n ASP 1163Ca -0.14 0.17 -0.34 0.00 0.71 0.00 0.00 54.79 55.19 1xxm n ASP 1163Cb 0.50 -4.34 -0.07 0.00 -0.02 0.00 0.00 41.12 37.19 1xxm n ASP 1163CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xxm s LEU 1164N -5.44 4.09 0.00 0.64 1.43 -1.26 -4.12 118.68 114.02 1xxm s LEU 1164Ca 0.00 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1xxm s LEU 1164Cb 0.00 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1xxm s LEU 1164CO 0.00 -0.24 0.34 1.33 0.23 0.00 0.00 176.35 178.02