#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khr s ILE 1002N 0.00 1.30 -0.13 -0.61 1.01 -1.26 -4.34 121.20 117.16 3khr s ILE 1002Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3khr s ILE 1002Cb 0.00 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3khr s ILE 1002CO 0.00 0.41 -0.12 -0.69 0.00 0.00 0.00 174.94 174.54 3khr s VAL 1003N 1.43 3.14 -0.19 2.92 1.01 -0.21 -1.39 120.40 127.11 3khr s VAL 1003Ca 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3khr s VAL 1003Cb -0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3khr s VAL 1003CO -0.07 0.52 -0.04 -0.22 0.00 0.00 0.00 175.10 175.29 3khr s LEU 1004N 0.35 3.03 -0.10 3.92 0.20 0.18 -1.88 118.68 124.38 3khr s LEU 1004Ca -0.10 -0.28 -0.00 0.00 0.69 0.00 0.00 54.13 54.43 3khr s LEU 1004Cb -0.16 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 3khr s LEU 1004CO 0.05 0.06 -0.08 0.12 -0.29 0.00 0.00 176.35 176.21 3khr s PHE 1005N 0.99 2.91 -0.09 5.38 5.36 0.68 0.04 117.98 133.24 3khr s PHE 1005Ca 0.00 -0.24 0.04 0.00 -0.96 0.00 0.00 56.93 55.78 3khr s PHE 1005Cb -0.15 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 3khr s PHE 1005CO 0.01 0.09 -0.22 0.08 -1.46 0.00 0.00 175.22 173.72 3khr s VAL 1006N -0.22 2.27 -0.14 3.12 1.01 -0.10 -1.34 120.40 125.01 3khr s VAL 1006Ca 0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3khr s VAL 1006Cb -0.13 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.43 3khr s VAL 1006CO 0.03 0.56 0.06 -0.62 0.00 0.00 0.00 175.10 175.13 3khr s ASP 1007N 0.14 2.17 0.34 3.32 -1.08 -0.56 -1.78 116.67 119.23 3khr s ASP 1007Ca -0.12 -0.47 -0.27 0.00 -0.52 0.00 0.00 52.55 51.17 3khr s ASP 1007Cb -0.16 -0.34 -0.09 0.00 -1.46 0.00 0.00 42.92 40.87 3khr s ASP 1007CO 0.06 -0.30 1.10 -0.36 0.52 0.00 0.00 175.17 176.19 3khr s PHE 1008N 2.05 3.37 0.12 -5.34 0.08 -0.35 -1.19 117.98 116.72 3khr s PHE 1008Ca 0.02 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.42 3khr s PHE 1008Cb -0.15 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.98 3khr s PHE 1008CO -0.07 -0.74 1.04 -0.51 -0.10 0.00 0.00 175.22 174.83 3khr s ASP 1009N -1.15 7.36 -0.77 1.36 1.01 -0.89 -4.11 116.67 119.49 3khr s ASP 1009Ca 0.51 1.91 -0.07 0.00 0.71 0.00 0.00 52.55 55.62 3khr s ASP 1009Cb -0.28 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.06 3khr s ASP 1009CO 0.36 -0.18 0.14 0.00 0.21 0.00 0.00 175.17 175.70 3khr n TYR 1010N 2.83 -0.70 -0.06 4.23 0.18 -1.26 -4.55 117.16 117.83 3khr n TYR 1010Ca 0.03 0.22 -0.13 0.00 1.88 0.00 0.00 57.90 59.90 3khr n TYR 1010Cb 0.48 -1.51 -0.09 0.00 -0.38 0.00 0.00 39.34 37.85 3khr n TYR 1010CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3khr h PHE 1011N -0.33 -1.44 -0.64 -3.48 3.57 -1.95 0.26 116.94 112.93 3khr h PHE 1011Ca -0.37 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 3khr h PHE 1011Cb 0.76 0.66 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 3khr h PHE 1011CO 0.25 -0.46 0.36 1.88 -2.23 0.00 0.00 178.31 178.12 3khr h TYR 1012N -0.44 0.87 -0.15 0.41 -1.99 -1.96 -1.67 116.97 112.04 3khr h TYR 1012Ca 0.04 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 3khr h TYR 1012Cb 0.56 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3khr h TYR 1012CO -0.63 0.61 -0.39 0.00 -0.00 0.00 0.00 178.16 177.75 3khr h ALA 1013N 1.18 1.06 -0.21 3.88 0.00 -1.78 -2.47 119.26 120.92 3khr h ALA 1013Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3khr h ALA 1013Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3khr h ALA 1013CO -0.04 0.59 -0.00 0.37 0.00 0.00 0.00 179.25 180.18 3khr h GLN 1014N 0.27 0.37 -0.54 0.00 4.15 0.10 -1.83 115.11 117.62 3khr h GLN 1014Ca 0.03 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.39 3khr h GLN 1014Cb 0.82 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.42 3khr h GLN 1014CO 0.06 0.56 0.23 0.28 -1.93 0.00 0.00 178.83 178.04 3khr h VAL 1015N 0.13 0.87 -0.64 2.39 2.07 -1.25 -0.61 116.25 119.22 3khr h VAL 1015Ca 0.06 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.49 3khr h VAL 1015Cb 0.40 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3khr h VAL 1015CO 0.01 0.08 0.34 -0.33 0.02 0.00 0.00 177.57 177.69 3khr h GLU 1016N 0.45 0.61 -0.46 1.57 4.39 -1.36 -0.10 114.58 119.67 3khr h GLU 1016Ca 0.25 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 3khr h GLU 1016Cb 0.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3khr h GLU 1016CO -0.22 0.40 0.05 0.93 -1.16 0.00 0.00 179.01 179.01 3khr h GLU 1017N 0.62 0.73 -0.33 2.33 5.08 -0.66 0.11 114.58 122.46 3khr h GLU 1017Ca 0.29 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3khr h GLU 1017Cb 0.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3khr h GLU 1017CO -0.19 0.70 0.03 0.28 -1.00 0.00 0.00 179.01 178.83 3khr h VAL 1018N 0.69 1.24 -0.58 3.13 2.07 -0.62 -3.13 116.25 119.06 3khr h VAL 1018Ca 0.15 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 3khr h VAL 1018Cb 0.35 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3khr h VAL 1018CO 0.01 0.29 0.03 -0.07 0.02 0.00 0.00 177.57 177.84 3khr h LEU 1019N 0.38 0.98 -7.43 2.57 4.07 -0.86 -3.40 115.31 111.62 3khr h LEU 1019Ca 0.10 -0.29 -0.64 0.00 0.08 0.00 0.00 57.88 57.12 3khr h LEU 1019Cb 0.39 -0.26 -0.41 0.00 1.08 0.00 0.00 40.66 41.46 3khr h LEU 1019CO 0.01 1.03 -0.67 0.21 -1.08 0.00 0.00 178.44 177.94 3khr s ASN 1020N -6.47 4.37 0.57 -0.43 3.84 0.36 -4.98 114.94 112.21 3khr s ASN 1020Ca -0.12 -2.67 0.26 0.00 0.21 0.00 0.00 52.86 50.54 3khr s ASN 1020Cb 0.13 -1.55 1.57 0.00 -0.55 0.00 0.00 41.25 40.85 3khr s ASN 1020CO 0.84 -0.29 2.12 1.55 -2.79 0.00 0.00 177.10 178.54 3khr h PRO 1021N 6.91 0.00 0.00 0.43 0.13 -1.78 -2.17 132.00 135.52 3khr h PRO 1021Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3khr h PRO 1021Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3khr h PRO 1021CO 0.61 0.00 0.13 0.77 -0.23 0.00 0.00 178.00 179.28 3khr h SER 1022N 0.00 0.00 0.28 1.44 0.02 -1.93 -2.82 113.55 110.54 3khr h SER 1022Ca 0.08 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.69 3khr h SER 1022Cb 0.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3khr h SER 1022CO -0.00 0.00 -1.82 -0.07 -1.14 0.00 0.00 176.83 173.80 3khr h LEU 1023N 0.00 0.33 -9.38 5.07 4.07 -1.71 -3.48 115.31 110.21 3khr h LEU 1023Ca 0.00 -0.64 -0.64 0.00 0.08 0.00 0.00 57.88 56.68 3khr h LEU 1023Cb 0.25 -0.11 0.07 0.00 1.08 0.00 0.00 40.66 41.95 3khr h LEU 1023CO 0.00 1.57 0.50 1.17 -1.08 0.00 0.00 178.44 180.59 3khr n LYS 1024N -3.38 1.48 0.00 1.13 4.81 -1.07 -2.13 118.16 119.01 3khr n LYS 1024Ca -0.25 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3khr n LYS 1024Cb 1.05 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3khr n LYS 1024CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khr n GLY 1025N 2.51 0.03 3.41 3.14 0.00 -1.26 -5.07 105.19 107.94 3khr n GLY 1025Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3khr n GLY 1025CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khr s LYS 1026N -0.99 1.49 0.12 1.61 0.00 -0.90 -5.11 119.74 115.96 3khr s LYS 1026Ca 0.00 -1.72 -0.31 0.00 0.00 0.00 0.00 55.97 53.93 3khr s LYS 1026Cb 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 37.83 36.56 3khr s LYS 1026CO 0.00 0.10 1.41 -2.14 0.00 0.00 0.00 175.35 174.72 3khr s PRO 1027N -3.69 4.31 -0.09 1.78 0.02 -1.26 -4.91 135.00 131.16 3khr s PRO 1027Ca 0.27 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.44 3khr s PRO 1027Cb 0.02 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3khr s PRO 1027CO 0.11 -0.46 -0.22 0.08 -0.33 0.00 0.00 177.00 176.18 3khr s VAL 1028N 1.13 1.89 -0.13 3.83 1.01 -1.26 -0.60 120.40 126.27 3khr s VAL 1028Ca 0.65 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3khr s VAL 1028Cb -0.38 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3khr s VAL 1028CO 0.30 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 175.10 3khr s VAL 1029N 0.32 1.47 -0.21 2.92 1.01 0.16 -1.11 120.40 124.95 3khr s VAL 1029Ca -0.16 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3khr s VAL 1029Cb -0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3khr s VAL 1029CO 0.07 0.44 0.37 -0.69 0.00 0.00 0.00 175.10 175.30 3khr s VAL 1030N 1.33 5.21 -0.04 2.92 1.01 -0.25 -0.92 120.40 129.65 3khr s VAL 1030Ca 0.01 0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.69 3khr s VAL 1030Cb -0.14 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3khr s VAL 1030CO -0.07 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.06 3khr s VAL 1032N -0.52 5.24 -0.11 0.00 1.01 0.11 -0.85 120.40 125.27 3khr s VAL 1032Ca 0.07 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 3khr s VAL 1032Cb -0.11 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 3khr s VAL 1032CO 0.01 -0.96 1.01 -0.36 0.00 0.00 0.00 175.10 174.80 3khr s PHE 1033N 1.45 3.51 -0.66 5.22 0.08 -1.26 -1.93 117.98 124.38 3khr s PHE 1033Ca 0.08 1.59 0.24 0.00 0.12 0.00 0.00 56.93 58.97 3khr s PHE 1033Cb -0.24 -3.19 0.40 0.00 -0.57 0.00 0.00 43.02 39.42 3khr s PHE 1033CO 0.00 -0.23 1.38 -1.13 -0.10 0.00 0.00 175.22 175.14 3khr n SER 1034N 5.05 0.70 0.00 1.36 3.41 -0.48 -4.96 113.62 118.70 3khr n SER 1034Ca 0.09 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3khr n SER 1034Cb 0.49 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3khr n SER 1034CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khr n GLY 1035N 1.34 0.62 0.37 5.00 0.00 -1.26 -4.64 105.19 106.62 3khr n GLY 1035Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3khr n GLY 1035CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3khr h ARG 1036N 1.58 -0.88 0.00 1.61 2.47 -1.88 -3.46 114.38 113.83 3khr h ARG 1036Ca 0.00 0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 3khr h ARG 1036Cb 0.06 0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 3khr h ARG 1036CO 0.00 -0.58 0.06 1.97 0.56 0.00 0.00 179.97 181.98 3khr n PHE 1037N -5.47 -1.80 -1.67 3.04 1.16 -1.26 -4.94 117.46 106.52 3khr n PHE 1037Ca -0.14 -1.89 -0.42 0.00 -1.87 0.00 0.00 57.45 53.13 3khr n PHE 1037Cb 0.37 0.67 -0.03 0.00 -1.61 0.00 0.00 39.48 38.88 3khr n PHE 1037CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3khr n GLU 1038N -0.50 2.83 -1.17 3.97 2.13 -1.26 -2.38 120.64 124.26 3khr n GLU 1038Ca -0.04 1.04 -0.06 0.00 0.66 0.00 0.00 57.16 58.76 3khr n GLU 1038Cb 0.53 -2.97 -0.03 0.00 0.27 0.00 0.00 31.44 29.24 3khr n GLU 1038CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3khr n ASP 1039N 7.00 -4.11 -4.78 4.31 8.00 -1.26 -5.01 116.55 120.70 3khr n ASP 1039Ca 0.20 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.47 3khr n ASP 1039Cb 0.39 -2.12 -0.03 0.00 -0.02 0.00 0.00 41.12 39.34 3khr n ASP 1039CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3khr s SER 1040N -2.61 6.52 0.00 -2.24 1.04 -1.00 -3.97 113.70 111.44 3khr s SER 1040Ca 0.00 2.19 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3khr s SER 1040Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3khr s SER 1040CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3khr n GLY 1041N 0.45 0.67 3.10 7.32 0.00 -1.26 -1.38 105.19 114.09 3khr n GLY 1041Ca 0.06 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 3khr n GLY 1041CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khr s ALA 1042N -1.53 0.57 -0.01 4.61 0.00 -0.81 -1.60 121.76 122.99 3khr s ALA 1042Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 3khr s ALA 1042Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3khr s ALA 1042CO 0.00 -0.37 1.09 0.08 0.00 0.00 0.00 175.76 176.57 3khr s VAL 1043N -3.90 4.48 -0.07 0.00 1.01 -0.20 0.04 120.40 121.76 3khr s VAL 1043Ca 0.09 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.62 3khr s VAL 1043Cb 0.08 -4.14 -0.30 0.00 0.00 0.00 0.00 36.38 32.02 3khr s VAL 1043CO -0.09 0.09 0.81 0.00 0.00 0.00 0.00 175.10 175.91 3khr h ALA 1044N 6.99 -0.03 -2.64 5.51 0.00 -0.75 0.17 119.26 128.51 3khr h ALA 1044Ca -0.38 -0.72 0.11 0.00 0.00 0.00 0.00 54.91 53.92 3khr h ALA 1044Cb 1.19 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3khr h ALA 1044CO 0.81 0.37 0.45 -0.08 0.00 0.00 0.00 179.25 180.81 3khr s THR 1045N -2.40 0.00 0.04 0.00 -1.32 -1.20 -4.50 115.64 106.26 3khr s THR 1045Ca -0.16 -0.75 -0.14 0.00 -1.21 0.00 0.00 61.69 59.44 3khr s THR 1045Cb 0.01 -2.58 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 3khr s THR 1045CO 0.79 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 173.50 3khr s ALA 1046N -2.65 -0.68 1.01 11.08 0.00 -1.26 -1.09 121.76 128.17 3khr s ALA 1046Ca 0.17 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 3khr s ALA 1046Cb -0.03 0.31 0.19 0.00 0.00 0.00 0.00 23.12 23.59 3khr s ALA 1046CO 0.06 -0.40 1.12 0.54 0.00 0.00 0.00 175.76 177.07 3khr s ASN 1047N -2.03 2.61 0.43 0.00 2.20 -0.27 -4.80 114.94 113.08 3khr s ASN 1047Ca -0.05 1.00 0.14 0.00 -0.94 0.00 0.00 52.86 53.01 3khr s ASN 1047Cb -0.01 -1.56 0.94 0.00 -2.00 0.00 0.00 41.25 38.62 3khr s ASN 1047CO -0.03 -3.12 1.95 1.88 -2.94 0.00 0.00 177.10 174.84 3khr h TYR 1048N -1.88 0.00 0.48 1.54 0.99 -1.97 -2.30 116.97 113.82 3khr h TYR 1048Ca -0.52 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.20 3khr h TYR 1048Cb 1.33 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.04 3khr h TYR 1048CO -0.09 0.23 -0.38 0.93 -0.00 0.00 0.00 178.16 178.85 3khr h GLU 1049N 0.00 -0.81 -0.71 4.88 3.07 -1.91 -2.78 114.58 116.31 3khr h GLU 1049Ca -0.00 0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3khr h GLU 1049Cb 0.41 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.46 3khr h GLU 1049CO 0.03 -0.54 0.47 0.00 -1.40 0.00 0.00 179.01 177.57 3khr h ALA 1050N -0.48 1.86 -0.19 3.43 0.00 -1.73 -2.39 119.26 119.76 3khr h ALA 1050Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3khr h ALA 1050Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3khr h ALA 1050CO -0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 179.25 178.86 3khr h ARG 1051N 0.60 0.42 -0.74 0.00 3.08 -1.26 -2.20 114.38 114.28 3khr h ARG 1051Ca 0.33 -0.20 0.21 0.00 0.07 0.00 0.00 59.98 60.39 3khr h ARG 1051Cb 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3khr h ARG 1051CO -0.11 0.74 0.58 0.87 -1.07 0.00 0.00 179.97 180.97 3khr h LYS 1052N 0.35 0.00 -0.50 0.04 1.57 -1.16 0.71 116.57 117.59 3khr h LYS 1052Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3khr h LYS 1052Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3khr h LYS 1052CO 0.07 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.14 3khr n PHE 1053N -4.13 0.65 -0.46 -1.35 3.72 -0.85 -4.93 117.46 110.12 3khr n PHE 1053Ca 0.15 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3khr n PHE 1053Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 3khr n PHE 1053CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khr n GLY 1054N 1.51 0.77 3.60 1.37 0.00 0.24 -4.96 105.19 107.72 3khr n GLY 1054Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3khr n GLY 1054CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khr s VAL 1055N -2.07 4.75 0.17 1.61 1.01 -1.09 -4.99 120.40 119.80 3khr s VAL 1055Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 3khr s VAL 1055Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3khr s VAL 1055CO 0.00 -0.37 0.31 -1.59 0.00 0.00 0.00 175.10 173.45 3khr s LYS 1056N 3.06 1.20 0.02 2.72 -2.85 -1.26 -3.58 119.74 119.06 3khr s LYS 1056Ca 0.32 -1.19 -0.37 0.00 -1.00 0.00 0.00 55.97 53.73 3khr s LYS 1056Cb -0.13 0.39 -0.16 0.00 -2.06 0.00 0.00 37.83 35.86 3khr s LYS 1056CO 0.15 -0.45 1.47 0.00 0.10 0.00 0.00 175.35 176.62 3khr n ALA 1057N -0.24 -0.44 0.00 0.59 0.00 -1.26 -2.77 120.51 116.39 3khr n ALA 1057Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3khr n ALA 1057Cb 0.63 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3khr n ALA 1057CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khr n GLY 1058N 3.02 3.38 3.78 0.00 0.00 0.61 -4.97 105.19 111.01 3khr n GLY 1058Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3khr n GLY 1058CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khr s ILE 1059N -2.96 3.42 0.46 -0.61 -4.36 -1.12 -4.64 121.20 111.39 3khr s ILE 1059Ca 0.00 0.90 -0.24 0.00 -0.26 0.00 0.00 60.65 61.05 3khr s ILE 1059Cb 0.00 -3.38 -0.08 0.00 1.25 0.00 0.00 42.46 40.25 3khr s ILE 1059CO 0.00 -0.17 1.33 -2.65 0.24 0.00 0.00 174.94 173.69 3khr n PRO 1060N -1.07 1.95 -0.12 0.37 -0.02 -1.26 -1.03 135.00 133.82 3khr n PRO 1060Ca 0.10 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3khr n PRO 1060Cb 0.51 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3khr n PRO 1060CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3khr h ILE 1061N 1.97 0.94 -0.97 4.25 2.04 -1.54 -1.39 117.51 122.81 3khr h ILE 1061Ca -0.49 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.34 3khr h ILE 1061Cb 1.29 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3khr h ILE 1061CO 0.59 0.06 0.61 -0.37 0.00 0.00 0.00 178.15 179.05 3khr h VAL 1062N 0.35 1.00 -0.62 1.67 -1.51 -1.83 0.23 116.25 115.55 3khr h VAL 1062Ca 0.17 -0.36 -0.09 0.00 -1.23 0.00 0.00 66.70 65.19 3khr h VAL 1062Cb 0.10 -0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.10 3khr h VAL 1062CO -0.14 0.19 0.04 -0.08 -1.23 0.00 0.00 177.57 176.35 3khr h GLU 1063N 1.05 1.06 -0.53 5.19 4.22 -1.84 -1.77 114.58 121.97 3khr h GLU 1063Ca 0.45 -0.32 -0.04 0.00 0.08 0.00 0.00 59.36 59.53 3khr h GLU 1063Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3khr h GLU 1063CO -0.22 1.02 0.18 0.00 -2.18 0.00 0.00 179.01 177.81 3khr h ALA 1064N 1.00 0.69 -0.16 2.92 0.00 -0.19 -2.75 119.26 120.77 3khr h ALA 1064Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3khr h ALA 1064Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3khr h ALA 1064CO 0.02 0.33 -0.12 0.87 0.00 0.00 0.00 179.25 180.35 3khr h LYS 1065N 0.72 0.26 -0.17 0.00 1.57 -0.84 -0.35 116.57 117.75 3khr h LYS 1065Ca 0.17 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3khr h LYS 1065Cb 0.24 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3khr h LYS 1065CO -0.01 0.38 -0.23 0.87 -0.57 0.00 0.00 179.45 179.89 3khr h LYS 1066N 0.24 -0.26 0.26 3.15 1.57 -1.02 -2.55 116.57 117.96 3khr h LYS 1066Ca 0.05 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3khr h LYS 1066Cb 0.36 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3khr h LYS 1066CO 0.02 -0.17 -0.12 0.82 -0.57 0.00 0.00 179.45 179.42 3khr h ILE 1067N -0.27 0.47 -3.22 1.86 2.04 -1.29 -3.39 117.51 113.72 3khr h ILE 1067Ca 0.11 -0.90 -0.65 0.00 1.00 0.00 0.00 64.86 64.43 3khr h ILE 1067Cb 0.44 0.79 -0.40 0.00 -0.74 0.00 0.00 36.82 36.92 3khr h ILE 1067CO -0.33 0.12 -0.48 -0.76 0.00 0.00 0.00 178.15 176.70 3khr s LEU 1068N -9.04 4.89 0.44 1.44 1.43 -0.19 -4.92 118.68 112.74 3khr s LEU 1068Ca -0.10 -3.59 0.20 0.00 -1.03 0.00 0.00 54.13 49.61 3khr s LEU 1068Cb 0.01 -1.71 1.04 0.00 0.03 0.00 0.00 46.19 45.56 3khr s LEU 1068CO 0.36 -0.15 1.93 1.55 0.23 0.00 0.00 176.35 180.27 3khr h PRO 1069N 5.85 0.00 -0.01 1.29 0.13 -1.65 -3.14 132.00 134.47 3khr h PRO 1069Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3khr h PRO 1069Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3khr h PRO 1069CO 0.74 0.24 -0.17 0.09 -0.23 0.00 0.00 178.00 178.67 3khr n ASN 1070N -3.82 1.36 -4.63 1.44 5.03 -1.26 -4.94 115.26 108.44 3khr n ASN 1070Ca -0.02 -1.20 -0.33 0.00 0.87 0.00 0.00 54.58 53.91 3khr n ASN 1070Cb 0.34 0.11 0.14 0.00 -1.02 0.00 0.00 39.78 39.34 3khr n ASN 1070CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3khr n ALA 1071N -0.22 -0.77 -2.64 5.41 0.00 -1.19 -4.95 120.51 116.15 3khr n ALA 1071Ca 0.14 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3khr n ALA 1071Cb 0.37 -2.15 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 3khr n ALA 1071CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3khr s VAL 1072N -2.35 4.90 -0.27 0.00 1.01 0.23 -4.98 120.40 118.94 3khr s VAL 1072Ca 0.68 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.97 3khr s VAL 1072Cb -0.26 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3khr s VAL 1072CO 0.56 -0.02 0.08 -0.31 0.00 0.00 0.00 175.10 175.41 3khr s TYR 1073N 2.63 3.11 -0.03 5.22 2.02 -1.26 -0.66 117.35 128.38 3khr s TYR 1073Ca 0.31 -0.62 0.06 0.00 -0.37 0.00 0.00 57.07 56.46 3khr s TYR 1073Cb -0.15 -2.25 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3khr s TYR 1073CO 0.08 -0.44 -0.21 -0.51 -1.57 0.00 0.00 175.55 172.90 3khr s LEU 1074N 1.58 2.36 0.29 -1.29 1.43 -0.10 -4.99 118.68 117.96 3khr s LEU 1074Ca 0.05 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 3khr s LEU 1074Cb -0.16 -1.44 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 3khr s LEU 1074CO 0.03 0.32 1.21 -2.16 0.23 0.00 0.00 176.35 175.99 3khr s PRO 1075N -0.73 4.49 0.19 1.29 0.04 -1.26 0.16 135.00 139.19 3khr s PRO 1075Ca 0.11 2.00 -0.32 0.00 0.04 0.00 0.00 61.00 62.82 3khr s PRO 1075Cb -0.10 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.17 3khr s PRO 1075CO 0.00 -0.01 1.71 -0.12 0.04 0.00 0.00 177.00 178.62 3khr n MET 1076N 1.26 2.67 -3.86 4.56 1.56 -0.03 -4.75 117.12 118.54 3khr n MET 1076Ca 0.00 0.96 -0.29 0.00 -0.27 0.00 0.00 57.70 58.10 3khr n MET 1076Cb 0.43 -2.80 -0.11 0.00 2.15 0.00 0.00 33.22 32.89 3khr n MET 1076CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3khr s ARG 1077N 1.24 2.61 0.42 2.12 0.52 -1.26 -4.96 118.95 119.63 3khr s ARG 1077Ca 0.76 -3.34 0.10 0.00 -0.52 0.00 0.00 55.73 52.73 3khr s ARG 1077Cb -0.54 -3.52 0.89 0.00 0.52 0.00 0.00 34.95 32.31 3khr s ARG 1077CO 0.34 -1.28 2.01 -0.22 0.02 0.00 0.00 175.30 176.16 3khr h LYS 1078N 5.51 0.31 -0.99 3.54 3.64 -2.00 -2.45 116.57 124.13 3khr h LYS 1078Ca 0.15 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3khr h LYS 1078Cb 0.76 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 3khr h LYS 1078CO 0.74 0.31 0.65 0.93 -2.27 0.00 0.00 179.45 179.81 3khr h GLU 1079N 0.31 1.27 0.07 1.90 3.07 -1.99 0.19 114.58 119.41 3khr h GLU 1079Ca 0.07 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3khr h GLU 1079Cb 0.15 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3khr h GLU 1079CO -0.00 0.84 -0.03 0.28 -1.40 0.00 0.00 179.01 178.70 3khr h VAL 1080N 1.31 1.03 -0.29 3.13 2.07 -1.88 -2.41 116.25 119.21 3khr h VAL 1080Ca 0.37 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3khr h VAL 1080Cb -0.10 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3khr h VAL 1080CO -0.09 0.09 -0.02 1.88 0.02 0.00 0.00 177.57 179.44 3khr h TYR 1081N -0.25 0.47 -0.53 1.57 0.05 -1.30 -2.37 116.97 114.60 3khr h TYR 1081Ca -0.01 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 3khr h TYR 1081Cb 0.22 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3khr h TYR 1081CO -0.02 0.49 -0.09 0.37 -1.05 0.00 0.00 178.16 177.85 3khr h GLN 1082N 0.44 0.99 -0.17 4.88 5.75 -0.58 0.12 115.11 126.53 3khr h GLN 1082Ca 0.09 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3khr h GLN 1082Cb 0.33 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3khr h GLN 1082CO 0.01 1.03 0.09 1.96 -2.65 0.00 0.00 178.83 179.27 3khr h GLN 1083N 0.88 0.25 -0.27 1.69 4.20 -0.95 0.16 115.11 121.07 3khr h GLN 1083Ca 0.14 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3khr h GLN 1083Cb 0.65 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3khr h GLN 1083CO 0.04 0.26 0.05 0.28 -0.67 0.00 0.00 178.83 178.80 3khr h VAL 1084N 0.17 0.87 -0.51 -0.54 2.07 -1.30 -1.59 116.25 115.41 3khr h VAL 1084Ca 0.06 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3khr h VAL 1084Cb 0.09 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3khr h VAL 1084CO -0.01 0.03 0.30 -1.28 0.02 0.00 0.00 177.57 176.63 3khr h SER 1085N 0.15 0.49 -0.95 0.57 0.87 -0.58 -1.56 113.55 112.54 3khr h SER 1085Ca 0.12 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3khr h SER 1085Cb 0.13 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 3khr h SER 1085CO -0.17 0.35 0.63 0.28 -0.53 0.00 0.00 176.83 177.40 3khr h SER 1086N 0.61 1.09 -0.55 6.23 0.02 -0.23 -1.13 113.55 119.58 3khr h SER 1086Ca 0.20 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 3khr h SER 1086Cb 0.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3khr h SER 1086CO -0.09 0.79 -0.04 0.03 -1.14 0.00 0.00 176.83 176.38 3khr h ARG 1087N 1.29 1.03 -0.35 3.45 3.08 -0.86 -2.56 114.38 119.46 3khr h ARG 1087Ca 0.35 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3khr h ARG 1087Cb -0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3khr h ARG 1087CO -0.08 1.03 -0.10 0.82 -1.07 0.00 0.00 179.97 180.57 3khr h ILE 1088N 0.93 1.28 -0.99 2.04 2.04 -0.79 -2.30 117.51 119.72 3khr h ILE 1088Ca 0.16 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.88 3khr h ILE 1088Cb 0.60 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 3khr h ILE 1088CO 0.04 0.39 0.65 0.24 0.00 0.00 0.00 178.15 179.46 3khr h MET 1089N 0.46 1.20 -1.00 2.37 2.86 -1.19 -0.67 114.93 118.97 3khr h MET 1089Ca 0.08 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3khr h MET 1089Cb 0.62 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3khr h MET 1089CO 0.04 0.79 0.66 -0.91 1.06 0.00 0.00 176.91 178.55 3khr h ASN 1090N 1.24 1.11 -0.48 1.22 2.35 -1.27 -1.37 115.58 118.37 3khr h ASN 1090Ca 0.40 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.08 3khr h ASN 1090Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3khr h ASN 1090CO -0.13 0.78 0.10 -0.07 -1.65 0.00 0.00 177.43 176.46 3khr h LEU 1091N 1.30 0.75 -1.87 1.61 3.38 -0.66 -2.82 115.31 116.99 3khr h LEU 1091Ca 0.38 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3khr h LEU 1091Cb -0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3khr h LEU 1091CO -0.11 0.80 -0.07 -0.07 0.09 0.00 0.00 178.44 179.08 3khr h LEU 1092N 0.66 0.00 -2.10 1.67 3.38 -0.61 -1.72 115.31 116.60 3khr h LEU 1092Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3khr h LEU 1092Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3khr h LEU 1092CO 0.00 0.07 -0.04 0.03 0.09 0.00 0.00 178.44 178.59 3khr h ARG 1093N 0.00 0.00 0.00 1.13 3.08 -1.00 -2.02 114.38 115.57 3khr h ARG 1093Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3khr h ARG 1093Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3khr h ARG 1093CO 0.01 0.04 -0.12 0.93 -1.07 0.00 0.00 179.97 179.76 3khr h GLU 1094N 0.00 0.00 0.00 0.04 4.39 -1.37 -3.07 114.58 114.57 3khr h GLU 1094Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3khr h GLU 1094Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3khr h GLU 1094CO 0.01 0.12 -1.30 0.66 -1.16 0.00 0.00 179.01 177.34 3khr n TYR 1095N -3.62 0.74 -3.61 4.33 4.01 -0.77 -4.93 117.16 113.31 3khr n TYR 1095Ca -0.02 0.22 -0.12 0.00 -0.16 0.00 0.00 57.90 57.82 3khr n TYR 1095Cb 0.25 -0.87 -0.07 0.00 -0.31 0.00 0.00 39.34 38.34 3khr n TYR 1095CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3khr s SER 1096N -5.22 -0.57 0.08 7.72 0.15 -1.16 -4.98 113.70 109.72 3khr s SER 1096Ca -0.03 1.01 -0.13 0.00 0.70 0.00 0.00 55.95 57.50 3khr s SER 1096Cb 0.10 0.99 -0.21 0.00 -1.71 0.00 0.00 66.02 65.19 3khr s SER 1096CO 0.82 -0.26 1.21 -0.33 1.20 0.00 0.00 173.24 175.88 3khr h GLU 1097N 4.16 0.69 -5.99 5.44 3.07 -1.90 -3.41 114.58 116.64 3khr h GLU 1097Ca -0.27 -0.72 -0.46 0.00 -0.50 0.00 0.00 59.36 57.40 3khr h GLU 1097Cb 1.16 0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 29.21 3khr h GLU 1097CO 0.14 1.31 1.13 0.15 -1.40 0.00 0.00 179.01 180.34 3khr s LYS 1098N -3.36 2.92 -0.01 2.33 1.02 -1.26 -4.94 119.74 116.43 3khr s LYS 1098Ca -0.09 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.69 3khr s LYS 1098Cb 0.07 -4.79 -0.00 0.00 -0.52 0.00 0.00 37.83 32.58 3khr s LYS 1098CO 0.92 -2.73 -0.09 -1.50 -0.92 0.00 0.00 175.35 171.03 3khr s ILE 1099N 7.91 0.70 -0.25 2.17 2.07 -1.26 -1.94 121.20 130.60 3khr s ILE 1099Ca 0.58 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 59.48 3khr s ILE 1099Cb -0.07 -0.59 0.05 0.00 0.13 0.00 0.00 42.46 41.98 3khr s ILE 1099CO 0.06 0.20 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.47 3khr s GLU 1100N -0.10 2.35 -0.40 3.50 2.12 0.34 -4.12 118.70 122.39 3khr s GLU 1100Ca 0.02 -1.27 -0.25 0.00 0.36 0.00 0.00 54.97 53.82 3khr s GLU 1100Cb -0.05 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.52 3khr s GLU 1100CO -0.00 -0.52 0.90 0.42 -0.54 0.00 0.00 175.26 175.52 3khr s ILE 1101N 1.13 4.57 -0.14 -3.70 1.01 -1.26 -0.26 121.20 122.55 3khr s ILE 1101Ca -0.07 0.99 0.22 0.00 0.00 0.00 0.00 60.65 61.79 3khr s ILE 1101Cb -0.19 -4.35 -0.16 0.00 0.01 0.00 0.00 42.46 37.77 3khr s ILE 1101CO -0.06 -0.62 0.76 0.00 0.00 0.00 0.00 174.94 175.01 3khr n ALA 1102N 6.85 2.53 -3.10 9.38 0.00 0.04 -4.68 120.51 131.53 3khr n ALA 1102Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.09 3khr n ALA 1102Cb 0.48 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3khr n ALA 1102CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3khr n SER 1103N -2.54 -0.19 0.30 0.00 3.41 -1.20 -4.95 113.62 108.44 3khr n SER 1103Ca -0.04 -1.10 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 3khr n SER 1103Cb 0.62 0.31 0.91 0.00 -0.26 0.00 0.00 64.21 65.79 3khr n SER 1103CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3khr h ILE 1104N 1.11 0.18 0.00 -1.33 2.10 -2.01 -3.26 117.51 114.30 3khr h ILE 1104Ca -0.03 -0.30 -0.06 0.00 1.08 0.00 0.00 64.86 65.55 3khr h ILE 1104Cb 0.13 1.25 -0.12 0.00 -1.09 0.00 0.00 36.82 36.99 3khr h ILE 1104CO 0.04 0.03 -0.61 -0.90 -1.08 0.00 0.00 178.15 175.63 3khr n ASP 1105N -3.28 0.73 -3.92 2.19 5.75 -1.26 -4.77 116.55 111.99 3khr n ASP 1105Ca -0.02 -2.28 -0.14 0.00 -0.01 0.00 0.00 54.79 52.35 3khr n ASP 1105Cb 0.19 -0.28 -0.14 0.00 -1.03 0.00 0.00 41.12 39.85 3khr n ASP 1105CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3khr s GLU 1106N -0.59 0.22 -0.01 0.11 2.02 -1.23 -1.21 118.70 118.01 3khr s GLU 1106Ca 0.18 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.96 3khr s GLU 1106Cb 0.19 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.23 3khr s GLU 1106CO -0.06 0.05 0.12 0.00 0.02 0.00 0.00 175.26 175.39 3khr s ALA 1107N -0.18 -0.28 -0.18 5.21 0.00 -0.73 -0.78 121.76 124.81 3khr s ALA 1107Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3khr s ALA 1107Cb -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3khr s ALA 1107CO -0.00 -0.17 0.02 0.71 0.00 0.00 0.00 175.76 176.32 3khr s TYR 1108N -1.05 3.12 -0.15 0.00 2.02 0.64 -0.92 117.35 121.01 3khr s TYR 1108Ca -0.11 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3khr s TYR 1108Cb -0.06 -2.05 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3khr s TYR 1108CO 0.01 -0.03 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.35 3khr s LEU 1109N 0.59 2.80 -0.50 -1.29 1.02 0.11 -0.50 118.68 120.91 3khr s LEU 1109Ca 0.00 -0.31 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 3khr s LEU 1109Cb -0.14 -1.65 0.04 0.00 0.02 0.00 0.00 46.19 44.46 3khr s LEU 1109CO 0.02 0.14 0.83 -0.62 0.02 0.00 0.00 176.35 176.74 3khr s ASP 1110N 0.50 6.36 -0.20 2.29 -1.08 -0.82 -0.65 116.67 123.08 3khr s ASP 1110Ca -0.08 -0.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 3khr s ASP 1110Cb -0.15 -2.40 0.58 0.00 -1.46 0.00 0.00 42.92 39.49 3khr s ASP 1110CO 0.04 -1.04 1.49 2.30 0.52 0.00 0.00 175.17 178.47 3khr n ILE 1111N 6.11 2.40 -0.33 4.11 -5.35 -0.49 -4.66 119.36 121.15 3khr n ILE 1111Ca 0.01 -1.84 0.16 0.00 -0.27 0.00 0.00 62.75 60.81 3khr n ILE 1111Cb 0.48 -0.27 0.39 0.00 -1.74 0.00 0.00 39.64 38.50 3khr n ILE 1111CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3khr h SER 1112N 2.13 0.66 -0.54 7.28 0.02 -1.84 -0.57 113.55 120.69 3khr h SER 1112Ca 0.02 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3khr h SER 1112Cb 1.57 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3khr h SER 1112CO 0.29 0.21 0.00 0.47 -1.14 0.00 0.00 176.83 176.65 3khr n ASP 1113N -4.72 3.32 -0.01 3.07 8.00 -1.26 -4.24 116.55 120.72 3khr n ASP 1113Ca 0.24 -1.98 0.05 0.00 0.71 0.00 0.00 54.79 53.81 3khr n ASP 1113Cb 0.67 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 3khr n ASP 1113CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3khr n LYS 1114N 1.34 0.43 -3.96 -1.24 4.76 -0.26 -5.02 118.16 114.21 3khr n LYS 1114Ca 0.21 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.45 3khr n LYS 1114Cb 0.55 -1.28 -0.11 0.00 -1.84 0.00 0.00 35.03 32.35 3khr n LYS 1114CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3khr s VAL 1115N -2.79 0.11 -0.20 -0.18 -7.23 -1.00 -5.06 120.40 104.05 3khr s VAL 1115Ca -0.04 -0.94 0.21 0.00 -1.81 0.00 0.00 61.98 59.40 3khr s VAL 1115Cb 0.07 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 3khr s VAL 1115CO 0.48 -0.52 0.98 0.54 -0.31 0.00 0.00 175.10 176.28 3khr n ARG 1116N 1.39 0.61 -2.72 4.82 1.74 -1.26 -4.79 116.66 116.45 3khr n ARG 1116Ca -0.23 0.15 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 3khr n ARG 1116Cb 0.56 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3khr n ARG 1116CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3khr n ASP 1117N -2.73 -1.21 0.19 0.55 3.85 -1.26 -5.06 116.55 110.87 3khr n ASP 1117Ca -0.03 -1.77 0.04 0.00 -0.71 0.00 0.00 54.79 52.33 3khr n ASP 1117Cb 0.63 2.00 0.36 0.00 -1.35 0.00 0.00 41.12 42.76 3khr n ASP 1117CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 3khr h TYR 1118N 1.58 0.00 -0.14 2.11 0.05 -1.98 -2.09 116.97 116.50 3khr h TYR 1118Ca -0.18 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.60 3khr h TYR 1118Cb 0.72 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 3khr h TYR 1118CO 0.00 0.39 0.08 0.00 -1.05 0.00 0.00 178.16 177.58 3khr h ARG 1119N 0.00 0.19 0.00 4.88 3.08 -1.99 0.12 114.38 120.66 3khr h ARG 1119Ca -0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3khr h ARG 1119Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3khr h ARG 1119CO 0.05 0.17 -0.46 0.93 -1.07 0.00 0.00 179.97 179.59 3khr h GLU 1120N 0.15 0.00 -0.34 0.04 5.08 -1.96 -2.09 114.58 115.47 3khr h GLU 1120Ca 0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 3khr h GLU 1120Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3khr h GLU 1120CO -0.01 0.46 -0.30 0.00 -1.00 0.00 0.00 179.01 178.16 3khr h ALA 1121N 1.54 0.50 -0.33 3.43 0.00 -1.05 -0.91 119.26 122.44 3khr h ALA 1121Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3khr h ALA 1121Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3khr h ALA 1121CO 0.06 0.53 0.15 -0.92 0.00 0.00 0.00 179.25 179.07 3khr h TYR 1122N 0.59 0.28 -0.54 0.00 3.20 -0.69 -0.03 116.97 119.78 3khr h TYR 1122Ca 0.06 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3khr h TYR 1122Cb 0.88 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 3khr h TYR 1122CO 0.07 0.15 0.23 -0.97 -1.64 0.00 0.00 178.16 175.99 3khr h ASN 1123N 0.32 0.27 -0.73 -2.11 -1.24 -1.22 -1.72 115.58 109.15 3khr h ASN 1123Ca 0.14 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.16 3khr h ASN 1123Cb 0.07 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 3khr h ASN 1123CO -0.11 0.18 0.28 0.25 -1.29 0.00 0.00 177.43 176.74 3khr h LEU 1124N 0.43 1.03 -1.01 0.34 5.85 -0.72 -1.52 115.31 119.71 3khr h LEU 1124Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3khr h LEU 1124Cb 0.25 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3khr h LEU 1124CO -0.23 0.92 0.43 1.23 -0.34 0.00 0.00 178.44 180.46 3khr h GLY 1125N 1.12 1.21 1.01 3.75 0.00 -0.49 -1.18 103.07 108.50 3khr h GLY 1125Ca 0.25 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3khr h GLY 1125CO -0.02 0.53 -0.14 1.41 0.00 0.00 0.00 176.54 178.32 3khr h LEU 1126N 1.13 0.83 -1.13 3.11 3.38 -0.87 -1.59 115.31 120.18 3khr h LEU 1126Ca 0.28 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3khr h LEU 1126Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3khr h LEU 1126CO -0.04 1.02 0.38 -0.08 0.09 0.00 0.00 178.44 179.81 3khr h GLU 1127N 0.63 0.99 0.00 1.13 4.81 -0.98 -0.61 114.58 120.55 3khr h GLU 1127Ca 0.10 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3khr h GLU 1127Cb 0.68 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3khr h GLU 1127CO 0.05 0.73 -0.00 0.82 -0.73 0.00 0.00 179.01 179.88 3khr h ILE 1128N 0.99 1.26 -0.23 2.32 2.04 -1.11 -1.20 117.51 121.58 3khr h ILE 1128Ca 0.25 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.39 3khr h ILE 1128Cb 0.03 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3khr h ILE 1128CO -0.04 0.20 -0.15 0.11 0.00 0.00 0.00 178.15 178.27 3khr h LYS 1129N -0.33 -0.13 -0.97 2.37 1.57 -1.12 -1.74 116.57 116.22 3khr h LYS 1129Ca -0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3khr h LYS 1129Cb 0.33 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3khr h LYS 1129CO 0.00 -0.09 0.64 -0.91 -0.57 0.00 0.00 179.45 178.52 3khr h ASN 1130N -0.14 1.07 -0.30 0.86 2.35 -1.09 -1.01 115.58 117.32 3khr h ASN 1130Ca 0.13 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3khr h ASN 1130Cb 0.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3khr h ASN 1130CO -0.32 0.75 -0.13 0.50 -1.65 0.00 0.00 177.43 176.58 3khr h LYS 1131N 1.25 0.61 -0.70 0.81 1.63 -1.01 -0.74 116.57 118.42 3khr h LYS 1131Ca 0.38 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 3khr h LYS 1131Cb -0.05 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 3khr h LYS 1131CO -0.11 0.84 0.32 0.82 -3.45 0.00 0.00 179.45 177.87 3khr h ILE 1132N 0.37 1.24 -0.46 2.00 2.04 -1.06 -1.09 117.51 120.55 3khr h ILE 1132Ca 0.07 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3khr h ILE 1132Cb 0.64 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3khr h ILE 1132CO 0.04 0.29 0.17 0.25 0.00 0.00 0.00 178.15 178.90 3khr h LEU 1133N 0.99 0.65 -0.57 1.44 5.85 -1.13 0.13 115.31 122.66 3khr h LEU 1133Ca 0.24 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3khr h LEU 1133Cb 0.15 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3khr h LEU 1133CO -0.03 0.65 0.31 -0.33 -0.34 0.00 0.00 178.44 178.71 3khr h GLU 1134N 0.60 0.80 0.09 1.25 5.08 -0.78 -0.30 114.58 121.33 3khr h GLU 1134Ca 0.15 -0.10 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 3khr h GLU 1134Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3khr h GLU 1134CO -0.01 0.62 -1.65 0.87 -1.00 0.00 0.00 179.01 177.84 3khr h LYS 1135N 0.77 0.20 0.00 2.33 1.79 -1.14 -3.41 116.57 117.12 3khr h LYS 1135Ca 0.20 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3khr h LYS 1135Cb 0.05 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3khr h LYS 1135CO -0.03 1.01 -0.27 0.39 -1.08 0.00 0.00 179.45 179.47 3khr n GLU 1136N -3.38 4.28 -1.76 3.15 -0.58 0.43 -5.01 120.64 117.77 3khr n GLU 1136Ca -0.19 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.41 3khr n GLU 1136Cb 1.04 -0.58 -0.04 0.00 -0.57 0.00 0.00 31.44 31.30 3khr n GLU 1136CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3khr n LYS 1137N -0.97 -1.03 -4.14 3.49 4.76 -0.12 -4.99 118.16 115.16 3khr n LYS 1137Ca 0.00 0.86 -0.35 0.00 -2.87 0.00 0.00 58.31 55.95 3khr n LYS 1137Cb 0.00 -5.03 -0.12 0.00 -1.84 0.00 0.00 35.03 28.04 3khr n LYS 1137CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khr s ILE 1138N -2.59 4.10 0.14 -0.18 -1.09 -1.25 -4.96 121.20 115.37 3khr s ILE 1138Ca 0.00 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 57.89 3khr s ILE 1138Cb 0.00 -2.84 -0.07 0.00 -1.58 0.00 0.00 42.46 37.97 3khr s ILE 1138CO 0.00 0.45 0.80 0.42 -1.23 0.00 0.00 174.94 175.37 3khr s THR 1139N 0.74 4.45 0.20 2.92 -4.23 -1.26 -3.66 115.64 114.79 3khr s THR 1139Ca 0.00 1.73 0.05 0.00 -1.18 0.00 0.00 61.69 62.29 3khr s THR 1139Cb -0.14 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 3khr s THR 1139CO 0.02 0.47 -0.06 0.68 -0.54 0.00 0.00 174.62 175.19 3khr s VAL 1140N -0.80 1.22 -0.09 2.29 -7.23 -1.26 -2.08 120.40 112.45 3khr s VAL 1140Ca 0.37 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 3khr s VAL 1140Cb -0.23 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3khr s VAL 1140CO 0.26 -0.53 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.49 3khr s THR 1141N -3.29 2.98 -0.11 5.32 2.01 -0.33 -3.75 115.64 118.46 3khr s THR 1141Ca 0.23 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3khr s THR 1141Cb 0.03 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 3khr s THR 1141CO 0.05 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.69 3khr s VAL 1142N -0.19 2.77 -0.03 3.82 1.01 -0.46 -1.49 120.40 125.82 3khr s VAL 1142Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3khr s VAL 1142Cb -0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3khr s VAL 1142CO 0.03 0.54 -0.17 -0.83 0.00 0.00 0.00 175.10 174.67 3khr s GLY 1143N 0.16 1.48 -0.07 4.51 0.00 -0.45 -1.42 107.32 111.53 3khr s GLY 1143Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3khr s GLY 1143CO 0.06 -0.86 -0.07 -0.42 0.00 0.00 0.00 173.10 171.81 3khr s ILE 1144N -0.74 0.80 0.00 0.90 1.01 -0.12 -0.23 121.20 122.82 3khr s ILE 1144Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3khr s ILE 1144Cb -0.10 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3khr s ILE 1144CO 0.01 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 175.01 3khr n SER 1145N 4.37 0.00 0.13 3.58 2.88 -0.79 -0.73 113.62 123.06 3khr n SER 1145Ca -0.19 -0.33 0.12 0.00 -1.33 0.00 0.00 58.87 57.14 3khr n SER 1145Cb 0.51 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.11 3khr n SER 1145CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3khr h LYS 1146N 0.00 0.00 -4.25 -1.46 2.10 -1.77 -0.54 116.57 110.65 3khr h LYS 1146Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 3khr h LYS 1146Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 3khr h LYS 1146CO 0.00 0.00 -0.28 0.54 -2.00 0.00 0.00 179.45 177.71 3khr s ASN 1147N -5.30 0.84 0.24 7.07 2.20 -1.26 -4.53 114.94 114.21 3khr s ASN 1147Ca 0.05 -1.46 -0.03 0.00 -0.94 0.00 0.00 52.86 50.48 3khr s ASN 1147Cb 0.09 0.61 0.28 0.00 -2.00 0.00 0.00 41.25 40.23 3khr s ASN 1147CO 0.71 -1.19 1.74 0.11 -2.94 0.00 0.00 177.10 175.53 3khr h LYS 1148N 2.19 0.85 -0.20 3.55 1.57 -1.91 -1.86 116.57 120.76 3khr h LYS 1148Ca -0.28 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.16 3khr h LYS 1148Cb 1.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 3khr h LYS 1148CO 0.40 0.85 -0.28 0.28 -0.57 0.00 0.00 179.45 180.12 3khr h VAL 1149N 0.79 1.33 -0.00 0.50 2.07 -1.97 -2.05 116.25 116.93 3khr h VAL 1149Ca 0.15 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 66.03 3khr h VAL 1149Cb 0.47 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3khr h VAL 1149CO 0.02 0.46 -0.76 -0.26 0.02 0.00 0.00 177.57 177.05 3khr h PHE 1150N 0.22 0.04 -0.71 1.57 0.04 -1.97 -1.67 116.94 114.46 3khr h PHE 1150Ca 0.02 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.83 3khr h PHE 1150Cb 0.85 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.94 3khr h PHE 1150CO 0.09 0.77 0.40 0.00 -0.60 0.00 0.00 178.31 178.97 3khr h ALA 1151N 1.22 0.95 -0.28 2.45 0.00 -1.32 -0.21 119.26 122.08 3khr h ALA 1151Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3khr h ALA 1151Cb 1.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3khr h ALA 1151CO 0.10 0.09 -0.07 -0.22 0.00 0.00 0.00 179.25 179.15 3khr h LYS 1152N 0.74 0.54 -0.75 0.00 3.64 -1.02 -2.43 116.57 117.28 3khr h LYS 1152Ca 0.32 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3khr h LYS 1152Cb 0.19 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 3khr h LYS 1152CO -0.18 0.74 0.45 0.82 -2.27 0.00 0.00 179.45 179.01 3khr h ILE 1153N 0.30 1.01 -0.52 2.00 2.04 -1.20 -1.16 117.51 119.97 3khr h ILE 1153Ca 0.07 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.73 3khr h ILE 1153Cb 0.55 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 3khr h ILE 1153CO 0.03 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.48 3khr h ALA 1154N 1.37 0.63 -0.28 1.87 0.00 -0.89 -0.91 119.26 121.04 3khr h ALA 1154Ca 0.33 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.34 3khr h ALA 1154Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3khr h ALA 1154CO -0.17 -0.26 0.18 0.00 0.00 0.00 0.00 179.25 179.00 3khr h ALA 1155N 1.38 0.36 -0.78 0.00 0.00 -0.91 -2.46 119.26 116.84 3khr h ALA 1155Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3khr h ALA 1155Cb 0.32 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3khr h ALA 1155CO -0.30 -0.19 0.51 -0.44 0.00 0.00 0.00 179.25 178.83 3khr h ASP 1156N 0.36 0.70 0.85 0.00 3.32 -0.53 -0.11 116.42 121.02 3khr h ASP 1156Ca 0.11 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3khr h ASP 1156Cb -0.02 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3khr h ASP 1156CO -0.04 0.44 -0.23 0.24 -1.72 0.00 0.00 179.24 177.93 3khr h MET 1157N 0.79 0.00 0.00 3.56 2.86 -0.94 -3.28 114.93 117.92 3khr h MET 1157Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3khr h MET 1157Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3khr h MET 1157CO -0.13 0.23 -0.97 0.00 1.06 0.00 0.00 176.91 177.10 3khr n ALA 1158N -2.24 4.21 -1.74 6.32 0.00 -0.15 -4.99 120.51 121.92 3khr n ALA 1158Ca -0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 3khr n ALA 1158Cb 0.41 -0.66 0.05 0.00 0.00 0.00 0.00 19.45 19.25 3khr n ALA 1158CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3khr s LYS 1159N -2.79 2.86 0.48 0.00 -2.85 -0.61 -3.38 119.74 113.45 3khr s LYS 1159Ca 0.05 2.11 -0.02 0.00 -1.00 0.00 0.00 55.97 57.11 3khr s LYS 1159Cb 0.14 -2.03 -0.01 0.00 -2.06 0.00 0.00 37.83 33.87 3khr s LYS 1159CO 0.76 -1.37 0.74 -1.25 0.10 0.00 0.00 175.35 174.32 3khr s PRO 1160N -3.17 3.14 -1.41 1.78 0.04 -1.26 -4.91 135.00 129.21 3khr s PRO 1160Ca 0.77 -0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 3khr s PRO 1160Cb -0.38 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3khr s PRO 1160CO 0.42 -0.33 0.39 -1.71 0.04 0.00 0.00 177.00 175.82 3khr n ASN 1161N -2.21 -0.34 -4.66 6.66 5.15 -1.26 -4.93 115.26 113.67 3khr n ASN 1161Ca 0.01 -1.03 -0.31 0.00 -0.60 0.00 0.00 54.58 52.66 3khr n ASN 1161Cb 0.57 -2.94 -0.09 0.00 -0.53 0.00 0.00 39.78 36.79 3khr n ASN 1161CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3khr s GLY 1162N -4.35 2.81 -0.12 8.20 0.00 -1.22 -4.96 107.32 107.69 3khr s GLY 1162Ca 0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.61 3khr s GLY 1162CO 0.90 -2.13 0.29 -1.50 0.00 0.00 0.00 173.10 170.66 3khr s ILE 1163N -2.87 -0.03 -0.04 0.90 2.07 -1.26 -1.36 121.20 118.61 3khr s ILE 1163Ca 0.16 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.49 3khr s ILE 1163Cb 0.04 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.23 3khr s ILE 1163CO 0.09 0.04 0.09 -0.75 -1.91 0.00 0.00 174.94 172.49 3khr s LYS 1164N 0.98 0.02 -0.19 3.50 2.47 -0.51 -4.98 119.74 121.03 3khr s LYS 1164Ca -0.07 0.28 -0.15 0.00 -1.56 0.00 0.00 55.97 54.47 3khr s LYS 1164Cb -0.08 -0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 36.03 3khr s LYS 1164CO -0.07 -0.17 0.35 0.08 0.16 0.00 0.00 175.35 175.70 3khr s VAL 1165N 1.14 5.24 -0.44 4.02 1.01 -1.26 -0.94 120.40 129.16 3khr s VAL 1165Ca -0.09 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 3khr s VAL 1165Cb -0.12 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.66 3khr s VAL 1165CO -0.04 0.30 0.31 -0.63 0.00 0.00 0.00 175.10 175.03 3khr s ILE 1166N 1.04 4.40 0.90 2.22 1.01 0.09 -4.97 121.20 125.89 3khr s ILE 1166Ca 0.18 -1.45 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 3khr s ILE 1166Cb -0.14 -3.74 0.18 0.00 0.01 0.00 0.00 42.46 38.77 3khr s ILE 1166CO 0.07 -0.60 1.24 1.51 0.00 0.00 0.00 174.94 177.17 3khr s ASP 1167N 2.38 3.46 0.25 3.58 1.47 -1.26 -4.43 116.67 122.12 3khr s ASP 1167Ca 0.04 0.16 -0.04 0.00 1.18 0.00 0.00 52.55 53.89 3khr s ASP 1167Cb -0.24 -0.31 0.41 0.00 -0.34 0.00 0.00 42.92 42.44 3khr s ASP 1167CO 0.02 -2.50 1.80 0.44 0.68 0.00 0.00 175.17 175.62 3khr h ASP 1168N -1.37 0.65 -0.55 2.11 3.32 -1.99 0.28 116.42 118.87 3khr h ASP 1168Ca -0.43 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 3khr h ASP 1168Cb 1.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3khr h ASP 1168CO 0.40 0.37 0.09 -0.33 -1.72 0.00 0.00 179.24 178.05 3khr h GLU 1169N 0.77 0.91 0.00 3.56 4.39 -2.00 -2.57 114.58 119.64 3khr h GLU 1169Ca 0.40 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 3khr h GLU 1169Cb 0.39 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3khr h GLU 1169CO -0.26 0.88 -0.49 1.49 -1.16 0.00 0.00 179.01 179.47 3khr h GLU 1170N 0.80 0.00 -0.35 2.33 4.81 -1.73 -1.76 114.58 118.69 3khr h GLU 1170Ca 0.17 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3khr h GLU 1170Cb 0.41 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3khr h GLU 1170CO 0.01 0.49 0.08 0.28 -0.73 0.00 0.00 179.01 179.14 3khr h VAL 1171N 0.00 0.85 -0.45 0.32 2.07 -0.81 0.12 116.25 118.35 3khr h VAL 1171Ca -0.00 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3khr h VAL 1171Cb 1.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3khr h VAL 1171CO 0.06 0.04 0.28 0.11 0.02 0.00 0.00 177.57 178.08 3khr h LYS 1172N 0.21 0.55 -0.61 1.57 1.79 -1.09 -0.68 116.57 118.30 3khr h LYS 1172Ca 0.16 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 3khr h LYS 1172Cb 0.17 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3khr h LYS 1172CO -0.20 0.36 0.28 -0.09 -1.08 0.00 0.00 179.45 178.72 3khr h ARG 1173N 0.56 0.89 -0.45 3.15 2.43 -1.04 -2.61 114.38 117.31 3khr h ARG 1173Ca 0.17 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 3khr h ARG 1173Cb -0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3khr h ARG 1173CO -0.06 0.73 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.89 3khr h LEU 1174N 0.84 0.85 -1.15 3.80 3.38 -0.66 0.38 115.31 122.74 3khr h LEU 1174Ca 0.21 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3khr h LEU 1174Cb 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3khr h LEU 1174CO -0.02 1.01 0.59 0.40 0.09 0.00 0.00 178.44 180.51 3khr h ILE 1175N 0.75 1.01 0.11 1.22 2.04 -0.97 0.27 117.51 121.94 3khr h ILE 1175Ca 0.11 -0.33 -0.27 0.00 1.00 0.00 0.00 64.86 65.37 3khr h ILE 1175Cb 0.68 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3khr h ILE 1175CO 0.05 0.18 -1.20 0.03 0.00 0.00 0.00 178.15 177.20 3khr h ARG 1176N 0.96 0.30 0.00 2.37 3.08 -1.02 -0.35 114.38 119.73 3khr h ARG 1176Ca 0.41 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3khr h ARG 1176Cb 0.33 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3khr h ARG 1176CO -0.17 1.21 -1.33 0.39 -1.07 0.00 0.00 179.97 178.99 3khr n GLU 1177N -3.58 0.72 -2.36 0.04 1.02 0.13 -4.81 120.64 111.81 3khr n GLU 1177Ca -0.08 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.58 3khr n GLU 1177Cb 1.00 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 31.23 3khr n GLU 1177CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3khr s LEU 1178N -3.66 4.31 0.03 -4.62 2.96 0.91 -4.96 118.68 113.64 3khr s LEU 1178Ca -0.03 1.97 -0.37 0.00 -0.22 0.00 0.00 54.13 55.49 3khr s LEU 1178Cb 0.04 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 43.01 3khr s LEU 1178CO 0.28 -0.62 1.48 -0.67 -1.32 0.00 0.00 176.35 175.50 3khr n ASP 1179N 5.06 2.14 0.26 3.68 4.64 -1.26 -3.79 116.55 127.29 3khr n ASP 1179Ca 0.12 1.10 0.12 0.00 -1.38 0.00 0.00 54.79 54.75 3khr n ASP 1179Cb 0.45 -1.24 0.73 0.00 -1.04 0.00 0.00 41.12 40.03 3khr n ASP 1179CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3khr h ILE 1180N 3.83 0.60 0.00 5.18 2.10 -1.58 0.80 117.51 128.44 3khr h ILE 1180Ca -0.47 -0.48 -0.00 0.00 1.08 0.00 0.00 64.86 64.99 3khr h ILE 1180Cb 1.31 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.35 3khr h ILE 1180CO 0.84 0.11 -0.02 0.00 -1.08 0.00 0.00 178.15 178.00 3khr h ALA 1181N 1.89 1.08 -0.00 0.18 0.00 -1.88 -2.34 119.26 118.19 3khr h ALA 1181Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3khr h ALA 1181Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3khr h ALA 1181CO 0.01 0.02 -0.18 -0.25 0.00 0.00 0.00 179.25 178.86 3khr n ASP 1182N -3.23 0.44 -4.71 0.00 8.00 0.27 -4.81 116.55 112.52 3khr n ASP 1182Ca -0.02 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 3khr n ASP 1182Cb 0.16 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3khr n ASP 1182CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3khr s VAL 1183N -2.68 3.61 0.15 2.53 1.01 -0.88 -4.97 120.40 119.17 3khr s VAL 1183Ca 0.22 1.11 -0.34 0.00 0.00 0.00 0.00 61.98 62.97 3khr s VAL 1183Cb 0.19 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 3khr s VAL 1183CO 0.54 0.06 1.43 -2.65 0.00 0.00 0.00 175.10 174.47 3khr n PRO 1184N 4.42 1.71 -0.09 2.72 -0.02 -1.26 -1.67 135.00 140.80 3khr n PRO 1184Ca 0.11 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3khr n PRO 1184Cb 0.44 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3khr n PRO 1184CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khr n GLY 1185N 2.76 0.63 3.32 -1.23 0.00 -1.26 -5.03 105.19 104.37 3khr n GLY 1185Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3khr n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khr s ILE 1186N -2.31 4.33 0.00 -0.61 -1.09 -0.67 -5.04 121.20 115.81 3khr s ILE 1186Ca 0.00 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 3khr s ILE 1186Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 3khr s ILE 1186CO 0.00 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 3khr n GLY 1187N 4.94 1.82 0.34 6.18 0.00 -1.26 -4.77 105.19 112.45 3khr n GLY 1187Ca -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 3khr n GLY 1187CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khr h ASN 1188N 0.00 1.06 -0.06 1.61 -0.26 -1.98 -0.39 115.58 115.56 3khr h ASN 1188Ca 0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3khr h ASN 1188Cb 0.00 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 3khr h ASN 1188CO 0.00 0.86 0.02 0.40 -1.06 0.00 0.00 177.43 177.65 3khr h ILE 1189N 1.18 1.18 -0.54 2.81 1.08 -1.99 -1.54 117.51 119.69 3khr h ILE 1189Ca 0.30 -0.54 -0.08 0.00 -0.39 0.00 0.00 64.86 64.15 3khr h ILE 1189Cb 0.04 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 3khr h ILE 1189CO -0.05 0.15 0.04 0.74 -0.69 0.00 0.00 178.15 178.35 3khr h THR 1190N -0.10 1.26 -0.74 -0.27 2.02 -1.94 -2.65 112.91 110.50 3khr h THR 1190Ca 0.02 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.21 3khr h THR 1190Cb 0.22 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3khr h THR 1190CO -0.00 0.37 0.48 0.00 0.37 0.00 0.00 175.52 176.75 3khr h ALA 1191N 0.97 1.64 -0.03 6.16 0.00 -0.93 -0.11 119.26 126.95 3khr h ALA 1191Ca 0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3khr h ALA 1191Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3khr h ALA 1191CO 0.02 0.27 -0.80 0.93 0.00 0.00 0.00 179.25 179.67 3khr h GLU 1192N 0.83 0.30 -0.28 0.00 4.39 -1.22 -2.09 114.58 116.50 3khr h GLU 1192Ca 0.31 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3khr h GLU 1192Cb 0.17 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3khr h GLU 1192CO -0.10 0.95 -0.39 0.87 -1.16 0.00 0.00 179.01 179.19 3khr h LYS 1193N 0.19 0.67 -0.35 2.33 1.57 -1.00 -2.91 116.57 117.07 3khr h LYS 1193Ca -0.04 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.28 3khr h LYS 1193Cb 1.40 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 3khr h LYS 1193CO 0.13 0.94 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.59 3khr h LEU 1194N 0.55 0.76 -1.19 2.94 3.38 -1.01 -2.83 115.31 117.92 3khr h LEU 1194Ca 0.05 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3khr h LEU 1194Cb 0.91 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3khr h LEU 1194CO 0.08 1.01 0.55 0.11 0.09 0.00 0.00 178.44 180.28 3khr h LYS 1195N 0.63 1.08 0.00 1.13 1.57 -1.29 0.19 116.57 119.88 3khr h LYS 1195Ca 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3khr h LYS 1195Cb 0.81 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3khr h LYS 1195CO 0.07 0.71 -0.08 0.87 -0.57 0.00 0.00 179.45 180.45 3khr h LYS 1196N 1.11 0.00 -0.22 3.15 1.79 -1.31 -0.53 116.57 120.56 3khr h LYS 1196Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3khr h LYS 1196Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3khr h LYS 1196CO -0.07 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 3khr n LEU 1197N -3.26 2.00 -0.40 2.94 4.77 -0.84 -4.92 117.00 117.30 3khr n LEU 1197Ca -0.00 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.07 3khr n LEU 1197Cb 0.30 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3khr n LEU 1197CO 0.28 0.43 -0.05 0.61 -1.33 0.00 0.00 177.39 177.33 3khr n GLY 1198N 1.19 0.73 3.52 -0.72 0.00 -0.21 -5.00 105.19 104.70 3khr n GLY 1198Ca 0.16 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3khr n GLY 1198CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khr s ILE 1199N -1.96 4.91 -0.03 -0.61 1.01 0.61 -4.89 121.20 120.24 3khr s ILE 1199Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3khr s ILE 1199Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 3khr s ILE 1199CO 0.00 -0.50 0.04 0.59 0.00 0.00 0.00 174.94 175.06 3khr n ASN 1200N 6.05 4.05 -4.29 3.58 3.02 -1.26 -3.65 115.26 122.75 3khr n ASN 1200Ca -0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.35 3khr n ASN 1200Cb 0.48 0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 40.31 3khr n ASN 1200CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3khr s LYS 1201N -2.15 1.18 0.24 3.52 -0.14 -1.26 -1.47 119.74 119.67 3khr s LYS 1201Ca -0.02 -1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 53.07 3khr s LYS 1201Cb 0.02 -0.91 0.46 0.00 -1.68 0.00 0.00 37.83 35.71 3khr s LYS 1201CO 0.16 0.15 1.72 -0.07 -0.76 0.00 0.00 175.35 176.54 3khr h LEU 1202N 2.82 0.20 -1.68 3.17 3.38 -1.65 -1.06 115.31 120.49 3khr h LEU 1202Ca -0.38 0.12 0.15 0.00 0.09 0.00 0.00 57.88 57.87 3khr h LEU 1202Cb 1.21 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 3khr h LEU 1202CO 0.60 0.06 0.48 1.62 0.09 0.00 0.00 178.44 181.29 3khr h VAL 1203N 0.38 0.77 0.00 1.22 3.04 -1.37 -1.13 116.25 119.17 3khr h VAL 1203Ca 0.41 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.99 3khr h VAL 1203Cb 0.66 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3khr h VAL 1203CO -0.44 0.06 -0.04 0.44 -1.01 0.00 0.00 177.57 176.59 3khr h ASP 1204N 0.31 0.00 0.49 3.17 3.32 -1.48 -1.87 116.42 120.37 3khr h ASP 1204Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3khr h ASP 1204Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3khr h ASP 1204CO -0.09 0.04 0.00 0.71 -1.72 0.00 0.00 179.24 178.18 3khr h THR 1205N 0.00 0.00 0.00 0.35 1.35 -1.32 -1.85 112.91 111.45 3khr h THR 1205Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3khr h THR 1205Cb 0.09 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3khr h THR 1205CO 0.00 0.00 -0.19 0.18 -0.25 0.00 0.00 175.52 175.27 3khr n LEU 1206N -2.60 0.33 -0.90 3.87 4.77 -0.70 -3.88 117.00 117.89 3khr n LEU 1206Ca -0.00 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3khr n LEU 1206Cb 0.17 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.11 3khr n LEU 1206CO 0.19 -0.00 0.69 -1.20 -1.33 0.00 0.00 177.39 175.74 3khr n SER 1207N -1.69 3.56 -4.34 -1.43 7.64 -0.69 -4.93 113.62 111.73 3khr n SER 1207Ca 0.06 -2.38 -0.30 0.00 1.01 0.00 0.00 58.87 57.26 3khr n SER 1207Cb 0.36 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 3khr n SER 1207CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3khr s ILE 1208N -1.68 2.13 0.32 0.44 2.07 -1.24 -5.10 121.20 118.13 3khr s ILE 1208Ca 0.34 -1.33 -0.29 0.00 -1.41 0.00 0.00 60.65 57.96 3khr s ILE 1208Cb 0.23 -1.81 -0.11 0.00 0.13 0.00 0.00 42.46 40.90 3khr s ILE 1208CO 0.16 0.41 1.56 -0.70 -1.91 0.00 0.00 174.94 174.46 3khr s GLU 1209N -1.11 4.12 0.19 3.50 2.12 -1.26 -4.89 118.70 121.37 3khr s GLU 1209Ca 0.11 2.58 -0.10 0.00 0.36 0.00 0.00 54.97 57.93 3khr s GLU 1209Cb -0.10 -3.01 0.10 0.00 0.26 0.00 0.00 34.13 31.38 3khr s GLU 1209CO 0.01 -0.61 1.71 0.35 -0.54 0.00 0.00 175.26 176.19 3khr h PHE 1210N 4.31 1.11 -0.83 5.30 3.57 -1.98 -2.31 116.94 126.11 3khr h PHE 1210Ca -0.48 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 60.86 3khr h PHE 1210Cb 1.23 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 3khr h PHE 1210CO 0.57 0.90 0.36 -0.44 -2.23 0.00 0.00 178.31 177.48 3khr h ASP 1211N 0.99 1.11 -0.58 0.41 3.32 -1.98 -0.57 116.42 119.12 3khr h ASP 1211Ca 0.21 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3khr h ASP 1211Cb 0.34 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3khr h ASP 1211CO -0.00 0.96 0.38 0.50 -1.72 0.00 0.00 179.24 179.36 3khr h LYS 1212N 1.19 0.76 -0.11 3.56 3.64 -1.89 0.22 116.57 123.95 3khr h LYS 1212Ca 0.28 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3khr h LYS 1212Cb 0.17 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3khr h LYS 1212CO -0.03 0.51 -0.02 1.25 -2.27 0.00 0.00 179.45 178.89 3khr h LEU 1213N 0.79 0.20 -0.60 5.20 5.85 -1.13 -2.73 115.31 122.88 3khr h LEU 1213Ca 0.21 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3khr h LEU 1213Cb -0.09 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 3khr h LEU 1213CO -0.05 0.51 0.27 0.50 -0.34 0.00 0.00 178.44 179.33 3khr h LYS 1214N -0.11 0.49 -0.40 1.25 3.64 -1.06 -1.08 116.57 119.30 3khr h LYS 1214Ca 0.03 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3khr h LYS 1214Cb 0.41 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3khr h LYS 1214CO 0.01 0.32 0.27 0.78 -2.27 0.00 0.00 179.45 178.56 3khr h GLY 1215N 0.50 0.31 0.30 5.01 0.00 -0.48 0.14 103.07 108.85 3khr h GLY 1215Ca 0.29 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.30 3khr h GLY 1215CO -0.24 0.07 -1.13 1.98 0.00 0.00 0.00 176.54 177.23 3khr h MET 1216N 0.25 0.13 -0.00 4.80 1.85 -1.07 -3.42 114.93 117.47 3khr h MET 1216Ca 0.18 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3khr h MET 1216Cb 0.39 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.50 3khr h MET 1216CO -0.03 1.11 -0.04 0.44 -0.40 0.00 0.00 176.91 177.98 3khr n ILE 1217N -4.19 0.00 0.00 1.77 -5.35 -0.47 -5.06 119.36 106.06 3khr n ILE 1217Ca -0.24 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 3khr n ILE 1217Cb 0.76 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.69 3khr n ILE 1217CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khr n GLY 1218N 0.52 1.19 0.12 3.28 0.00 0.50 -4.52 105.19 106.29 3khr n GLY 1218Ca 0.01 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3khr n GLY 1218CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3khr h GLU 1219N 0.00 0.14 -0.44 1.61 4.81 -1.92 -1.78 114.58 117.00 3khr h GLU 1219Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3khr h GLU 1219Cb 0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3khr h GLU 1219CO 0.00 0.09 0.09 0.00 -0.73 0.00 0.00 179.01 178.46 3khr h ALA 1220N 1.17 0.58 -0.00 2.92 0.00 -1.96 -1.39 119.26 120.58 3khr h ALA 1220Ca 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3khr h ALA 1220Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3khr h ALA 1220CO -0.14 0.28 -0.73 0.87 0.00 0.00 0.00 179.25 179.53 3khr h LYS 1221N 0.58 0.03 0.11 0.00 1.57 -1.77 -2.44 116.57 114.64 3khr h LYS 1221Ca 0.13 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3khr h LYS 1221Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3khr h LYS 1221CO 0.00 0.75 -0.05 0.00 -0.57 0.00 0.00 179.45 179.58 3khr h ALA 1222N 1.24 -0.15 -0.93 3.86 0.00 -1.20 -1.51 119.26 120.57 3khr h ALA 1222Ca -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3khr h ALA 1222Cb 1.29 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3khr h ALA 1222CO 0.10 -0.47 0.61 0.87 0.00 0.00 0.00 179.25 180.36 3khr h LYS 1223N -0.38 1.16 0.19 0.00 1.57 -1.26 -1.33 116.57 116.52 3khr h LYS 1223Ca -0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3khr h LYS 1223Cb 0.31 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3khr h LYS 1223CO 0.03 0.77 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.66 3khr h TYR 1224N 1.19 -0.24 -0.35 -1.35 3.20 -1.35 -0.57 116.97 117.50 3khr h TYR 1224Ca 0.37 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 3khr h TYR 1224Cb -0.02 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3khr h TYR 1224CO -0.00 0.09 0.20 -0.07 -1.64 0.00 0.00 178.16 176.74 3khr h LEU 1225N -0.58 0.43 -0.44 2.82 3.38 -1.14 -0.69 115.31 119.09 3khr h LEU 1225Ca -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3khr h LEU 1225Cb 0.43 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3khr h LEU 1225CO 0.04 0.38 0.28 0.40 0.09 0.00 0.00 178.44 179.63 3khr h ILE 1226N 0.45 1.08 -0.48 1.22 2.04 -1.26 0.21 117.51 120.78 3khr h ILE 1226Ca 0.13 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3khr h ILE 1226Cb 0.04 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3khr h ILE 1226CO -0.02 0.10 0.23 -1.28 0.00 0.00 0.00 178.15 177.18 3khr h SER 1227N 0.56 0.32 -0.11 1.72 0.87 -0.83 0.41 113.55 116.49 3khr h SER 1227Ca 0.17 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3khr h SER 1227Cb -0.03 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3khr h SER 1227CO -0.06 0.22 0.05 -0.07 -0.53 0.00 0.00 176.83 176.45 3khr h LEU 1228N 0.45 0.14 -1.52 2.23 3.38 -0.74 -1.24 115.31 118.01 3khr h LEU 1228Ca 0.21 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3khr h LEU 1228Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3khr h LEU 1228CO -0.16 0.21 0.39 0.00 0.09 0.00 0.00 178.44 178.97 3khr h ALA 1229N 0.93 1.77 0.00 1.53 0.00 0.01 -0.64 119.26 122.86 3khr h ALA 1229Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3khr h ALA 1229Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3khr h ALA 1229CO -0.01 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.93 3khr n ARG 1230N -4.47 0.79 -3.20 0.00 1.74 0.08 -4.90 116.66 106.70 3khr n ARG 1230Ca 0.08 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 3khr n ARG 1230Cb 0.19 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3khr n ARG 1230CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3khr n ASP 1231N -1.09 -4.77 0.00 0.55 -0.08 -0.25 -4.92 116.55 105.99 3khr n ASP 1231Ca 0.20 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 3khr n ASP 1231Cb 0.15 -3.41 0.00 0.00 2.34 0.00 0.00 41.12 40.20 3khr n ASP 1231CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3khr n GLU 1232N -3.39 3.94 -1.69 -0.67 1.02 -0.50 -5.04 120.64 114.31 3khr n GLU 1232Ca 0.00 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 3khr n GLU 1232Cb 0.54 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 3khr n GLU 1232CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3khr n TYR 1233N -0.57 2.59 -2.58 -0.32 9.36 -1.03 -4.89 117.16 119.72 3khr n TYR 1233Ca 0.00 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3khr n TYR 1233Cb 0.01 -2.69 0.03 0.00 -0.63 0.00 0.00 39.34 36.06 3khr n TYR 1233CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3khr n ASN 1234N 5.06 0.58 -4.73 2.98 5.15 -1.26 -4.80 115.26 118.24 3khr n ASN 1234Ca 0.18 -2.04 -0.42 0.00 -0.60 0.00 0.00 54.58 51.70 3khr n ASN 1234Cb 0.35 -0.14 -0.03 0.00 -0.53 0.00 0.00 39.78 39.43 3khr n ASN 1234CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3khr s GLU 1235N -1.37 4.27 0.57 1.20 0.41 -1.26 -4.95 118.70 117.56 3khr s GLU 1235Ca 0.23 2.26 -0.19 0.00 -0.41 0.00 0.00 54.97 56.86 3khr s GLU 1235Cb 0.32 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.46 3khr s GLU 1235CO -0.09 -0.48 1.16 -2.14 -0.49 0.00 0.00 175.26 173.21 3khr s PRO 1236N 0.54 3.19 -0.13 0.39 0.02 -1.26 -4.71 135.00 133.05 3khr s PRO 1236Ca 0.64 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3khr s PRO 1236Cb -0.41 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 3khr s PRO 1236CO 0.35 -1.00 1.26 0.42 -0.33 0.00 0.00 177.00 177.71 3khr s ILE 1237N -1.73 4.24 0.05 2.83 1.09 -1.26 -5.02 121.20 121.39 3khr s ILE 1237Ca 0.74 1.52 -0.03 0.00 -1.10 0.00 0.00 60.65 61.78 3khr s ILE 1237Cb -0.26 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.13 3khr s ILE 1237CO 0.30 -0.10 0.03 0.00 -0.10 0.00 0.00 174.94 175.07 3khr s ARG 1238N 3.14 0.58 0.15 2.79 1.70 -1.26 -4.84 118.95 121.21 3khr s ARG 1238Ca 0.56 -0.95 -0.31 0.00 -0.47 0.00 0.00 55.73 54.56 3khr s ARG 1238Cb -0.23 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 3khr s ARG 1238CO 0.17 -0.13 1.65 0.99 -1.08 0.00 0.00 175.30 176.90 3khr s THR 1239N -3.11 2.58 0.13 4.99 2.01 -1.26 -4.50 115.64 116.48 3khr s THR 1239Ca -0.01 0.32 -0.26 0.00 0.31 0.00 0.00 61.69 62.05 3khr s THR 1239Cb 0.02 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 3khr s THR 1239CO -0.07 0.02 0.82 -0.13 -0.69 0.00 0.00 174.62 174.57 3khr s ARG 1240N 1.67 4.60 -0.20 4.92 0.52 -1.26 -5.04 118.95 124.15 3khr s ARG 1240Ca 0.73 1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 57.09 3khr s ARG 1240Cb -0.44 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 3khr s ARG 1240CO 0.32 0.42 0.04 0.08 0.02 0.00 0.00 175.30 176.18 3khr s VAL 1241N -0.62 4.38 0.22 3.52 1.01 -1.26 -5.03 120.40 122.61 3khr s VAL 1241Ca 0.39 -0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.88 3khr s VAL 1241Cb -0.23 -2.99 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 3khr s VAL 1241CO 0.26 0.42 1.56 -1.14 0.00 0.00 0.00 175.10 176.20 3khr n ARG 1242N 4.12 2.34 -0.01 2.72 3.00 -1.26 -4.91 116.66 122.66 3khr n ARG 1242Ca -0.17 0.84 0.02 0.00 -0.00 0.00 0.00 57.85 58.54 3khr n ARG 1242Cb 0.52 -2.60 -0.06 0.00 0.00 0.00 0.00 32.46 30.32 3khr n ARG 1242CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3khr n LYS 1243N 2.91 1.03 -3.86 -0.14 5.02 -1.26 -5.02 118.16 116.85 3khr n LYS 1243Ca 0.14 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3khr n LYS 1243Cb 0.32 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 3khr n LYS 1243CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3khr s SER 1244N -3.27 0.04 -0.05 4.39 1.04 -1.26 -4.01 113.70 110.58 3khr s SER 1244Ca -0.03 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 3khr s SER 1244Cb 0.04 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.45 3khr s SER 1244CO 0.34 -0.50 0.00 -0.63 0.98 0.00 0.00 173.24 173.43 3khr s ILE 1245N -2.21 0.27 0.34 -1.02 -1.09 -0.37 -4.96 121.20 112.16 3khr s ILE 1245Ca -0.08 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.38 3khr s ILE 1245Cb -0.03 -0.41 0.02 0.00 -1.58 0.00 0.00 42.46 40.46 3khr s ILE 1245CO -0.02 0.21 0.59 -0.83 -1.23 0.00 0.00 174.94 173.66 3khr s GLY 1246N 1.59 0.94 -0.11 6.18 0.00 -1.26 -0.09 107.32 114.57 3khr s GLY 1246Ca -0.01 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.48 3khr s GLY 1246CO -0.03 -0.69 0.28 -1.60 0.00 0.00 0.00 173.10 171.06 3khr s ARG 1247N -2.98 0.30 0.00 2.90 6.06 -0.02 -4.87 118.95 120.35 3khr s ARG 1247Ca 0.24 0.46 0.03 0.00 -2.50 0.00 0.00 55.73 53.96 3khr s ARG 1247Cb -0.02 0.07 -0.01 0.00 0.06 0.00 0.00 34.95 35.05 3khr s ARG 1247CO 0.15 -0.08 -0.11 -1.50 -2.50 0.00 0.00 175.30 171.27 3khr s ILE 1248N 0.54 0.83 0.06 4.11 2.07 -1.26 -1.08 121.20 126.47 3khr s ILE 1248Ca -0.03 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 3khr s ILE 1248Cb -0.05 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 3khr s ILE 1248CO -0.03 0.15 -0.07 0.68 -1.91 0.00 0.00 174.94 173.75 3khr s VAL 1249N -0.41 0.60 -0.04 4.00 -7.23 -0.57 -4.98 120.40 111.76 3khr s VAL 1249Ca 0.03 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 3khr s VAL 1249Cb -0.05 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 3khr s VAL 1249CO -0.00 -0.55 0.37 -0.89 -0.31 0.00 0.00 175.10 173.72 3khr s THR 1250N -2.15 5.13 0.24 5.32 2.01 -1.26 -2.12 115.64 122.80 3khr s THR 1250Ca -0.02 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 3khr s THR 1250Cb -0.05 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 3khr s THR 1250CO -0.01 0.54 0.80 -0.04 -0.69 0.00 0.00 174.62 175.21 3khr s MET 1251N -0.74 4.39 0.24 4.92 -1.94 -0.94 -4.88 119.30 120.35 3khr s MET 1251Ca 0.22 1.05 -0.04 0.00 -1.71 0.00 0.00 55.69 55.20 3khr s MET 1251Cb -0.16 -2.91 0.45 0.00 2.01 0.00 0.00 34.83 34.23 3khr s MET 1251CO 0.11 0.38 1.73 0.87 -0.01 0.00 0.00 175.02 178.10 3khr h LYS 1252N 3.47 0.42 -4.53 2.03 1.57 -1.90 -3.43 116.57 114.20 3khr h LYS 1252Ca -0.47 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.00 3khr h LYS 1252Cb 1.19 -0.09 -0.22 0.00 0.08 0.00 0.00 32.23 33.19 3khr h LYS 1252CO 0.65 0.27 -0.74 -0.98 -0.57 0.00 0.00 179.45 178.09 3khr s ARG 1253N -6.02 0.51 0.57 3.15 1.70 -1.26 -4.83 118.95 112.77 3khr s ARG 1253Ca -0.12 -0.69 -0.21 0.00 -0.47 0.00 0.00 55.73 54.24 3khr s ARG 1253Cb 0.20 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 3khr s ARG 1253CO 0.76 0.06 1.31 0.09 -1.08 0.00 0.00 175.30 176.43 3khr n ASN 1254N 1.63 2.37 -3.44 -2.89 4.13 -1.26 -4.97 115.26 110.84 3khr n ASN 1254Ca -0.22 0.94 -0.12 0.00 1.68 0.00 0.00 54.58 56.86 3khr n ASN 1254Cb 0.55 -1.55 -0.02 0.00 -1.54 0.00 0.00 39.78 37.22 3khr n ASN 1254CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3khr s SER 1255N -1.03 -0.55 0.00 6.41 0.15 -0.91 -4.93 113.70 112.85 3khr s SER 1255Ca 0.74 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.42 3khr s SER 1255Cb -0.41 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3khr s SER 1255CO 0.47 -0.91 0.71 0.54 1.20 0.00 0.00 173.24 175.25 3khr n ARG 1256N -0.31 1.32 -3.40 5.44 1.74 -1.26 -0.03 116.66 120.15 3khr n ARG 1256Ca -0.16 -0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 55.60 3khr n ARG 1256Cb 0.64 -0.74 -0.08 0.00 -1.02 0.00 0.00 32.46 31.26 3khr n ARG 1256CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3khr s ASN 1257N -0.45 6.36 0.17 0.55 3.84 -1.26 -5.01 114.94 119.14 3khr s ASN 1257Ca 0.00 0.42 -0.13 0.00 0.21 0.00 0.00 52.86 53.36 3khr s ASN 1257Cb 0.00 -2.22 0.07 0.00 -0.55 0.00 0.00 41.25 38.55 3khr s ASN 1257CO 0.00 -0.11 1.75 0.25 -2.79 0.00 0.00 177.10 176.20 3khr h LEU 1258N 7.97 0.75 -1.23 3.21 5.85 -1.99 -2.09 115.31 127.78 3khr h LEU 1258Ca -0.34 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3khr h LEU 1258Cb 1.16 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3khr h LEU 1258CO 0.69 0.67 -0.05 -0.33 -0.34 0.00 0.00 178.44 179.08 3khr h GLU 1259N 0.78 0.00 -0.03 1.25 4.39 -2.00 -0.26 114.58 118.71 3khr h GLU 1259Ca 0.20 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 3khr h GLU 1259Cb 0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3khr h GLU 1259CO -0.02 0.05 -0.53 1.49 -1.16 0.00 0.00 179.01 178.84 3khr h GLU 1260N 0.00 0.42 -0.04 2.33 4.81 -1.87 -3.36 114.58 116.87 3khr h GLU 1260Ca -0.00 -0.41 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 3khr h GLU 1260Cb 0.62 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.11 3khr h GLU 1260CO 0.01 1.06 -0.89 0.82 -0.73 0.00 0.00 179.01 179.27 3khr h ILE 1261N -0.07 1.36 -0.91 2.32 2.04 -1.16 -3.37 117.51 117.72 3khr h ILE 1261Ca -0.06 -2.29 0.24 0.00 1.00 0.00 0.00 64.86 63.76 3khr h ILE 1261Cb 1.22 2.29 -0.13 0.00 -0.74 0.00 0.00 36.82 39.46 3khr h ILE 1261CO 0.11 0.69 0.39 0.11 0.00 0.00 0.00 178.15 179.45 3khr h LYS 1262N 0.31 0.34 0.00 2.37 1.57 -1.19 -0.55 116.57 119.43 3khr h LYS 1262Ca -0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3khr h LYS 1262Cb 1.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 3khr h LYS 1262CO 0.16 0.23 -0.22 -1.35 -0.57 0.00 0.00 179.45 177.70 3khr h PRO 1263N 0.35 0.00 -0.04 3.15 0.11 -1.77 -0.91 132.00 132.90 3khr h PRO 1263Ca 0.59 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.62 3khr h PRO 1263Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3khr h PRO 1263CO -0.57 0.22 -0.28 1.88 -0.21 0.00 0.00 178.00 179.03 3khr h TYR 1264N 0.00 0.36 -0.66 0.65 0.05 -1.35 -2.84 116.97 113.18 3khr h TYR 1264Ca -0.00 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.65 3khr h TYR 1264Cb 0.56 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.21 3khr h TYR 1264CO 0.00 0.92 0.40 1.25 -1.05 0.00 0.00 178.16 179.68 3khr h LEU 1265N -0.31 0.63 -0.77 3.88 5.85 -1.32 -1.99 115.31 121.29 3khr h LEU 1265Ca -0.03 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3khr h LEU 1265Cb 0.97 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3khr h LEU 1265CO 0.06 0.43 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.13 3khr h PHE 1266N 0.77 0.81 -0.41 1.25 0.04 -1.20 -1.41 116.94 116.79 3khr h PHE 1266Ca 0.28 -0.17 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 3khr h PHE 1266Cb 0.07 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3khr h PHE 1266CO -0.06 0.86 -0.28 -0.09 -0.60 0.00 0.00 178.31 178.14 3khr h ARG 1267N 0.64 0.87 -0.51 1.51 2.43 -1.34 -0.73 114.38 117.25 3khr h ARG 1267Ca 0.09 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.93 3khr h ARG 1267Cb 0.68 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 3khr h ARG 1267CO 0.05 1.04 0.21 0.00 -1.51 0.00 0.00 179.97 179.77 3khr h ALA 1268N 0.93 0.64 -0.11 2.80 0.00 -1.06 -0.90 119.26 121.56 3khr h ALA 1268Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3khr h ALA 1268Cb 0.84 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3khr h ALA 1268CO 0.07 -0.17 0.07 0.82 0.00 0.00 0.00 179.25 180.04 3khr h ILE 1269N 0.41 1.06 -0.05 0.00 2.04 -1.10 0.34 117.51 120.22 3khr h ILE 1269Ca 0.24 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3khr h ILE 1269Cb 0.22 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3khr h ILE 1269CO -0.21 0.06 -0.26 -0.33 0.00 0.00 0.00 178.15 177.41 3khr h GLU 1270N 0.12 -0.36 -0.41 2.37 4.39 -0.64 0.15 114.58 120.19 3khr h GLU 1270Ca 0.04 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 3khr h GLU 1270Cb 0.03 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3khr h GLU 1270CO -0.01 -0.24 -0.23 0.93 -1.16 0.00 0.00 179.01 178.31 3khr h GLU 1271N -0.37 0.83 -0.26 2.33 5.08 -1.13 -1.96 114.58 119.09 3khr h GLU 1271Ca 0.08 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3khr h GLU 1271Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3khr h GLU 1271CO -0.26 0.97 0.07 0.77 -1.00 0.00 0.00 179.01 179.57 3khr h SER 1272N 0.72 0.06 -0.32 1.42 0.02 -0.52 -2.57 113.55 112.36 3khr h SER 1272Ca 0.10 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3khr h SER 1272Cb 0.76 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3khr h SER 1272CO 0.06 0.07 -0.11 0.22 -1.14 0.00 0.00 176.83 175.93 3khr h TYR 1273N 0.18 0.81 -0.71 3.45 5.03 -0.54 -1.95 116.97 123.25 3khr h TYR 1273Ca 0.12 -0.14 0.12 0.00 2.58 0.00 0.00 58.73 61.40 3khr h TYR 1273Cb 0.10 -0.21 -0.08 0.00 1.55 0.00 0.00 36.73 38.09 3khr h TYR 1273CO -0.14 0.82 0.29 -0.92 -1.32 0.00 0.00 178.16 176.88 3khr h TYR 1274N 0.67 0.50 0.00 -3.82 3.20 -1.20 -2.64 116.97 113.68 3khr h TYR 1274Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3khr h TYR 1274Cb 0.58 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3khr h TYR 1274CO 0.03 0.10 0.00 0.87 -1.64 0.00 0.00 178.16 177.52 3khr h LYS 1275N 0.46 0.00 -0.49 1.82 1.57 -0.94 -3.21 116.57 115.77 3khr h LYS 1275Ca 0.37 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.28 3khr h LYS 1275Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3khr h LYS 1275CO -0.35 0.00 0.35 -0.07 -0.57 0.00 0.00 179.45 178.81 3khr h LEU 1276N 0.00 0.08 -3.04 2.94 3.38 -1.26 -3.47 115.31 113.93 3khr h LEU 1276Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3khr h LEU 1276Cb 0.52 -0.01 0.11 0.00 0.09 0.00 0.00 40.66 41.36 3khr h LEU 1276CO 0.00 0.04 -0.89 -0.67 0.09 0.00 0.00 178.44 177.01 3khr n ASP 1277N -4.42 -5.72 0.00 -0.43 4.64 -1.22 -1.71 116.55 107.70 3khr n ASP 1277Ca 0.09 -0.91 0.00 0.00 -1.38 0.00 0.00 54.79 52.58 3khr n ASP 1277Cb 0.51 -3.79 0.00 0.00 -1.04 0.00 0.00 41.12 36.80 3khr n ASP 1277CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3khr n LYS 1278N -3.84 0.00 -1.85 -0.67 4.76 -1.26 -5.01 118.16 110.28 3khr n LYS 1278Ca -0.09 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 3khr n LYS 1278Cb 0.60 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 3khr n LYS 1278CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3khr s ARG 1279N -0.07 3.99 -0.23 1.97 0.52 -0.70 -5.01 118.95 119.42 3khr s ARG 1279Ca 0.00 2.46 -0.02 0.00 -0.52 0.00 0.00 55.73 57.66 3khr s ARG 1279Cb 0.00 -2.86 0.02 0.00 0.52 0.00 0.00 34.95 32.62 3khr s ARG 1279CO 0.00 -0.59 -0.09 0.42 0.02 0.00 0.00 175.30 175.06 3khr s ILE 1280N -1.16 2.82 0.13 1.52 -1.09 -1.26 -4.90 121.20 117.26 3khr s ILE 1280Ca 0.55 -0.88 -0.17 0.00 -2.23 0.00 0.00 60.65 57.92 3khr s ILE 1280Cb -0.44 -2.35 -0.07 0.00 -1.58 0.00 0.00 42.46 38.02 3khr s ILE 1280CO 0.59 0.32 0.59 -2.16 -1.23 0.00 0.00 174.94 173.06 3khr s PRO 1281N 1.35 4.12 0.00 2.79 0.04 -1.26 -0.81 135.00 141.23 3khr s PRO 1281Ca 0.02 0.67 0.18 0.00 0.04 0.00 0.00 61.00 61.91 3khr s PRO 1281Cb -0.15 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3khr s PRO 1281CO -0.06 0.53 0.88 1.63 0.04 0.00 0.00 177.00 180.02 3khr n LYS 1282N 1.16 1.50 -4.24 4.56 5.02 -0.28 0.18 118.16 126.07 3khr n LYS 1282Ca -0.07 -0.67 -0.17 0.00 -2.02 0.00 0.00 58.31 55.38 3khr n LYS 1282Cb 0.51 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 34.06 3khr n LYS 1282CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khr s ALA 1283N -2.19 0.82 -0.00 7.82 0.00 -0.81 0.14 121.76 127.53 3khr s ALA 1283Ca 0.13 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3khr s ALA 1283Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3khr s ALA 1283CO 0.51 0.13 -0.09 -1.50 0.00 0.00 0.00 175.76 174.81 3khr s ILE 1284N -0.77 0.68 0.02 0.00 2.07 -0.61 -1.41 121.20 121.19 3khr s ILE 1284Ca -0.01 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.85 3khr s ILE 1284Cb -0.07 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3khr s ILE 1284CO 0.01 0.16 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.08 3khr s HIS 1285N -0.27 1.03 -0.04 3.50 3.76 -0.40 -1.09 115.29 121.77 3khr s HIS 1285Ca 0.03 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 3khr s HIS 1285Cb -0.04 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 3khr s HIS 1285CO -0.00 0.00 -0.10 0.08 -0.85 0.00 0.00 174.74 173.87 3khr s VAL 1286N -0.68 3.39 -0.01 -0.90 1.01 0.69 -1.24 120.40 122.66 3khr s VAL 1286Ca 0.01 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3khr s VAL 1286Cb -0.07 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3khr s VAL 1286CO 0.01 0.55 -0.26 0.54 0.00 0.00 0.00 175.10 175.94 3khr s VAL 1287N -0.81 2.03 -0.10 2.92 0.11 0.13 -1.49 120.40 123.18 3khr s VAL 1287Ca 0.13 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 3khr s VAL 1287Cb -0.11 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 33.07 3khr s VAL 1287CO 0.02 0.56 -0.18 0.00 -3.33 0.00 0.00 175.10 172.17 3khr s ALA 1288N -0.62 1.81 -0.14 1.54 0.00 0.14 -1.62 121.76 122.88 3khr s ALA 1288Ca 0.10 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 3khr s ALA 1288Cb -0.10 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 3khr s ALA 1288CO -0.01 0.04 0.34 0.08 0.00 0.00 0.00 175.76 176.21 3khr s VAL 1289N 0.77 5.26 0.66 0.00 1.01 -0.16 -1.16 120.40 126.78 3khr s VAL 1289Ca -0.11 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3khr s VAL 1289Cb -0.16 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3khr s VAL 1289CO 0.01 0.39 0.93 0.42 0.00 0.00 0.00 175.10 176.86 3khr s THR 1290N 0.35 2.39 0.23 3.92 -4.23 -0.63 -0.53 115.64 117.15 3khr s THR 1290Ca 0.19 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.10 3khr s THR 1290Cb -0.14 -2.91 0.30 0.00 1.34 0.00 0.00 72.50 71.09 3khr s THR 1290CO 0.06 0.00 1.59 -0.33 -0.54 0.00 0.00 174.62 175.40 3khr h GLU 1291N -0.37 -0.02 -0.98 3.99 5.08 -1.80 0.54 114.58 121.03 3khr h GLU 1291Ca -0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 3khr h GLU 1291Cb 1.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 3khr h GLU 1291CO 0.52 -0.01 0.12 -0.40 -1.00 0.00 0.00 179.01 178.24 3khr n ASP 1292N -5.51 2.97 0.00 1.42 3.85 -1.26 -4.84 116.55 113.19 3khr n ASP 1292Ca 0.10 -2.34 0.00 0.00 -0.71 0.00 0.00 54.79 51.85 3khr n ASP 1292Cb 0.40 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 3khr n ASP 1292CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3khr n LEU 1293N 0.13 0.84 -4.69 -2.12 4.32 0.18 -4.95 117.00 110.71 3khr n LEU 1293Ca 0.12 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.69 3khr n LEU 1293Cb 0.71 -2.15 -0.03 0.00 -1.62 0.00 0.00 43.42 40.33 3khr n LEU 1293CO 0.13 -0.83 1.11 -0.62 -1.22 0.00 0.00 177.39 175.96 3khr s ASP 1294N -2.01 6.85 -0.28 -1.43 2.15 -1.26 -4.74 116.67 115.96 3khr s ASP 1294Ca 0.00 2.16 -0.22 0.00 0.43 0.00 0.00 52.55 54.92 3khr s ASP 1294Cb 0.00 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3khr s ASP 1294CO 0.00 -0.70 0.72 -0.63 -0.17 0.00 0.00 175.17 174.39 3khr s ILE 1295N 2.11 4.89 -0.07 4.11 1.01 -1.26 -1.60 121.20 130.39 3khr s ILE 1295Ca 0.64 1.20 0.04 0.00 0.00 0.00 0.00 60.65 62.53 3khr s ILE 1295Cb -0.33 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.10 3khr s ILE 1295CO 0.27 -0.11 -0.20 -0.69 0.00 0.00 0.00 174.94 174.22 3khr s VAL 1296N 2.73 1.73 0.03 2.92 1.01 -0.31 -5.01 120.40 123.51 3khr s VAL 1296Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3khr s VAL 1296Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3khr s VAL 1296CO 0.10 0.49 -0.04 -0.94 0.00 0.00 0.00 175.10 174.71 3khr s SER 1297N 0.21 0.43 0.01 3.32 1.04 -1.26 0.29 113.70 117.73 3khr s SER 1297Ca -0.11 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.70 3khr s SER 1297Cb -0.15 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 3khr s SER 1297CO 0.05 -0.35 -0.05 -0.13 0.98 0.00 0.00 173.24 173.74 3khr s ARG 1298N -2.09 0.35 0.25 4.02 1.81 -0.56 -4.99 118.95 117.73 3khr s ARG 1298Ca -0.09 -0.34 0.02 0.00 -1.72 0.00 0.00 55.73 53.59 3khr s ARG 1298Cb -0.06 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 3khr s ARG 1298CO -0.03 0.05 0.18 0.20 -0.68 0.00 0.00 175.30 175.02 3khr s GLY 1299N -0.63 1.75 -0.11 -3.53 0.00 -1.26 -0.22 107.32 103.33 3khr s GLY 1299Ca -0.04 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 42.74 3khr s GLY 1299CO -0.00 -1.44 0.34 -1.60 0.00 0.00 0.00 173.10 170.40 3khr s ARG 1300N -3.92 0.46 -0.08 2.90 3.52 -0.25 -4.99 118.95 116.58 3khr s ARG 1300Ca 0.39 0.34 0.02 0.00 -0.13 0.00 0.00 55.73 56.35 3khr s ARG 1300Cb 0.06 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3khr s ARG 1300CO 0.17 -0.08 -0.12 0.99 -0.81 0.00 0.00 175.30 175.45 3khr s THR 1301N -0.13 3.20 0.17 4.11 2.01 -1.26 -1.57 115.64 122.17 3khr s THR 1301Ca -0.03 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3khr s THR 1301Cb -0.03 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3khr s THR 1301CO 0.01 0.57 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.12 3khr s PHE 1302N -0.37 2.79 0.26 4.92 0.40 0.12 -5.00 117.98 121.10 3khr s PHE 1302Ca 0.04 -0.15 0.36 0.00 -0.60 0.00 0.00 56.93 56.58 3khr s PHE 1302Cb -0.12 -1.37 1.80 0.00 0.51 0.00 0.00 43.02 43.84 3khr s PHE 1302CO 0.02 0.51 2.08 -1.00 0.70 0.00 0.00 175.22 177.53 3khr h PRO 1303N 2.87 0.00 -5.01 0.24 0.13 -2.01 -3.45 132.00 124.77 3khr h PRO 1303Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 3khr h PRO 1303Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 3khr h PRO 1303CO 0.57 0.00 -0.51 -3.38 -0.23 0.00 0.00 178.00 174.44 3khr s HIS 1304N -3.84 1.77 0.73 1.56 -3.43 -1.26 -5.10 115.29 105.72 3khr s HIS 1304Ca -0.02 -1.35 -0.14 0.00 -0.80 0.00 0.00 55.06 52.75 3khr s HIS 1304Cb 0.10 -1.08 0.04 0.00 -1.43 0.00 0.00 32.58 30.22 3khr s HIS 1304CO 0.40 -0.40 1.15 0.20 -2.00 0.00 0.00 174.74 174.10 3khr s GLY 1305N -3.56 2.12 -0.28 -1.38 0.00 -1.26 -4.44 107.32 98.52 3khr s GLY 1305Ca 0.27 0.66 -0.07 0.00 0.00 0.00 0.00 44.72 45.57 3khr s GLY 1305CO 0.17 1.04 0.08 -0.42 0.00 0.00 0.00 173.10 173.97 3khr s ILE 1306N -2.30 4.20 0.87 0.90 1.01 0.13 -4.95 121.20 121.06 3khr s ILE 1306Ca 0.69 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 3khr s ILE 1306Cb -0.24 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.27 3khr s ILE 1306CO 0.47 0.20 1.11 -0.94 0.00 0.00 0.00 174.94 175.77 3khr s SER 1307N 1.57 3.85 0.21 3.58 1.04 -1.26 -4.60 113.70 118.09 3khr s SER 1307Ca 0.05 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.60 3khr s SER 1307Cb -0.16 -1.89 0.16 0.00 0.10 0.00 0.00 66.02 64.22 3khr s SER 1307CO 0.03 -2.37 1.84 0.50 0.98 0.00 0.00 173.24 174.23 3khr h LYS 1308N -1.37 1.05 0.18 4.02 3.64 -1.99 -1.12 116.57 120.99 3khr h LYS 1308Ca -0.49 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 3khr h LYS 1308Cb 1.30 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 3khr h LYS 1308CO 0.59 0.75 -0.37 0.93 -2.27 0.00 0.00 179.45 179.08 3khr h GLU 1309N 1.05 -0.62 -0.72 1.90 3.07 -2.01 -2.07 114.58 115.18 3khr h GLU 1309Ca 0.27 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 59.28 3khr h GLU 1309Cb -0.02 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 27.96 3khr h GLU 1309CO -0.05 -0.41 0.35 1.15 -1.40 0.00 0.00 179.01 178.64 3khr h THR 1310N -0.65 0.81 -0.50 1.13 2.02 -1.91 -2.11 112.91 111.72 3khr h THR 1310Ca 0.01 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.10 3khr h THR 1310Cb 0.65 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 67.15 3khr h THR 1310CO -0.18 0.11 -0.08 0.00 0.37 0.00 0.00 175.52 175.73 3khr h ALA 1311N 1.45 0.38 -0.05 6.16 0.00 -0.55 -0.33 119.26 126.31 3khr h ALA 1311Ca 0.36 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.47 3khr h ALA 1311Cb 0.42 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3khr h ALA 1311CO -0.29 -0.43 -0.37 1.88 0.00 0.00 0.00 179.25 180.04 3khr h TYR 1312N 0.03 -1.09 -0.34 0.00 0.05 -0.75 0.51 116.97 115.38 3khr h TYR 1312Ca 0.25 0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.96 3khr h TYR 1312Cb 0.38 0.48 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 3khr h TYR 1312CO -0.39 -0.38 -0.23 0.66 -1.05 0.00 0.00 178.16 176.78 3khr h SER 1313N -0.42 0.68 -0.72 3.88 4.64 -1.43 -2.59 113.55 117.58 3khr h SER 1313Ca 0.02 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 3khr h SER 1313Cb 0.48 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3khr h SER 1313CO -0.27 0.89 0.24 -0.08 -0.87 0.00 0.00 176.83 176.74 3khr h GLU 1314N 0.59 1.11 -0.62 4.77 4.57 -0.91 -2.92 114.58 121.16 3khr h GLU 1314Ca 0.08 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3khr h GLU 1314Cb 0.70 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3khr h GLU 1314CO 0.05 0.94 0.41 0.66 -1.18 0.00 0.00 179.01 179.89 3khr h SER 1315N 1.05 0.70 -0.44 1.04 4.64 -0.51 -2.27 113.55 117.76 3khr h SER 1315Ca 0.23 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3khr h SER 1315Cb 0.28 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3khr h SER 1315CO -0.01 0.50 0.25 0.58 -0.87 0.00 0.00 176.83 177.28 3khr h VAL 1316N 0.82 1.16 -0.55 0.95 2.07 -1.32 -0.35 116.25 119.04 3khr h VAL 1316Ca 0.23 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3khr h VAL 1316Cb -0.06 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3khr h VAL 1316CO -0.05 0.16 0.06 0.11 0.02 0.00 0.00 177.57 177.87 3khr h LYS 1317N 0.58 0.93 -0.43 1.57 1.57 -1.40 0.34 116.57 119.73 3khr h LYS 1317Ca 0.16 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3khr h LYS 1317Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3khr h LYS 1317CO -0.03 0.91 0.22 -0.07 -0.57 0.00 0.00 179.45 179.91 3khr h LEU 1318N 0.81 0.54 -0.52 2.94 3.38 -1.21 0.49 115.31 121.75 3khr h LEU 1318Ca 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3khr h LEU 1318Cb 0.45 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3khr h LEU 1318CO 0.02 0.50 0.29 0.25 0.09 0.00 0.00 178.44 179.58 3khr h LEU 1319N 0.55 0.64 -1.02 1.67 5.85 -0.62 -1.45 115.31 120.92 3khr h LEU 1319Ca 0.15 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3khr h LEU 1319Cb 0.09 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3khr h LEU 1319CO -0.02 0.54 0.66 1.56 -0.34 0.00 0.00 178.44 180.84 3khr h GLN 1320N 0.69 1.27 -0.85 1.25 4.20 0.12 0.18 115.11 121.97 3khr h GLN 1320Ca 0.18 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3khr h GLN 1320Cb 0.04 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 27.49 3khr h GLN 1320CO -0.03 0.84 0.44 -0.22 -0.67 0.00 0.00 178.83 179.19 3khr h LYS 1321N 1.31 1.19 -0.09 1.46 3.64 -0.45 0.86 116.57 124.50 3khr h LYS 1321Ca 0.38 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3khr h LYS 1321Cb -0.08 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 3khr h LYS 1321CO -0.10 0.89 0.04 0.82 -2.27 0.00 0.00 179.45 178.83 3khr h ILE 1322N 1.19 1.11 -0.41 2.00 2.04 -0.19 -2.57 117.51 120.68 3khr h ILE 1322Ca 0.30 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3khr h ILE 1322Cb 0.06 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3khr h ILE 1322CO -0.04 0.10 -0.00 -0.07 0.00 0.00 0.00 178.15 178.13 3khr h LEU 1323N 0.02 -0.17 -0.58 1.44 4.07 -0.13 -1.41 115.31 118.55 3khr h LEU 1323Ca 0.03 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3khr h LEU 1323Cb 0.12 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3khr h LEU 1323CO -0.00 -0.05 0.00 -0.62 -1.08 0.00 0.00 178.44 176.69 3khr n GLU 1324N -5.20 1.38 0.00 1.13 1.02 0.25 -3.44 120.64 115.78 3khr n GLU 1324Ca 0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 3khr n GLU 1324Cb 0.22 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3khr n GLU 1324CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3khr n GLU 1325N -0.22 2.33 -3.77 3.49 1.02 -0.98 -4.99 120.64 117.51 3khr n GLU 1325Ca 0.16 -0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 56.91 3khr n GLU 1325Cb 0.21 -0.65 -0.17 0.00 -0.02 0.00 0.00 31.44 30.81 3khr n GLU 1325CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3khr s ASP 1326N -0.39 0.81 0.00 1.62 -1.08 -0.56 -5.04 116.67 112.03 3khr s ASP 1326Ca 0.00 0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.34 3khr s ASP 1326Cb 0.00 -0.19 1.20 0.00 -1.46 0.00 0.00 42.92 42.47 3khr s ASP 1326CO 0.00 -0.18 1.89 -0.62 0.52 0.00 0.00 175.17 176.78 3khr n GLU 1327N 4.76 0.08 -1.56 4.34 4.71 -1.26 -4.63 120.64 127.08 3khr n GLU 1327Ca -0.15 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.68 3khr n GLU 1327Cb 0.50 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.49 3khr n GLU 1327CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3khr s ARG 1328N -2.93 2.81 0.55 3.49 0.52 -1.26 -5.06 118.95 117.07 3khr s ARG 1328Ca 0.16 1.06 -0.10 0.00 -0.52 0.00 0.00 55.73 56.32 3khr s ARG 1328Cb 0.19 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 3khr s ARG 1328CO 0.54 -1.21 0.93 0.15 0.02 0.00 0.00 175.30 175.73 3khr s LYS 1329N -4.85 3.66 -0.14 3.54 1.02 -1.26 -4.90 119.74 116.79 3khr s LYS 1329Ca 0.60 0.61 -0.02 0.00 0.02 0.00 0.00 55.97 57.17 3khr s LYS 1329Cb -0.15 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3khr s LYS 1329CO 0.53 -0.37 -0.06 0.42 -0.92 0.00 0.00 175.35 174.94 3khr s ILE 1330N -2.90 3.69 -0.21 2.17 1.01 0.95 -2.30 121.20 123.61 3khr s ILE 1330Ca 0.53 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3khr s ILE 1330Cb -0.11 -2.59 -0.19 0.00 0.01 0.00 0.00 42.46 39.58 3khr s ILE 1330CO 0.46 0.51 -0.00 -1.14 0.00 0.00 0.00 174.94 174.77 3khr n ARG 1331N 3.40 0.67 -4.20 2.79 0.63 0.31 -2.15 116.66 118.11 3khr n ARG 1331Ca -0.18 0.26 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 3khr n ARG 1331Cb 0.53 -1.60 -0.12 0.00 0.45 0.00 0.00 32.46 31.71 3khr n ARG 1331CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3khr s ARG 1332N -2.51 0.91 -0.00 -0.14 0.52 -1.10 -2.22 118.95 114.40 3khr s ARG 1332Ca -0.31 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 53.83 3khr s ARG 1332Cb 0.09 -0.87 -0.00 0.00 0.52 0.00 0.00 34.95 34.69 3khr s ARG 1332CO 0.64 0.18 -0.00 -1.50 0.02 0.00 0.00 175.30 174.64 3khr s ILE 1333N -1.62 0.02 0.35 1.52 1.10 -0.90 -0.99 121.20 120.68 3khr s ILE 1333Ca 0.03 -0.01 -0.13 0.00 -0.51 0.00 0.00 60.65 60.02 3khr s ILE 1333Cb -0.08 -0.03 0.03 0.00 0.15 0.00 0.00 42.46 42.53 3khr s ILE 1333CO 0.02 0.01 0.68 -0.83 -2.11 0.00 0.00 174.94 172.71 3khr s GLY 1334N -0.01 0.60 -0.02 1.50 0.00 -0.64 -1.51 107.32 107.24 3khr s GLY 1334Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 3khr s GLY 1334CO -0.00 -0.48 0.19 0.54 0.00 0.00 0.00 173.10 173.35 3khr s VAL 1335N -2.85 0.06 0.02 1.40 0.11 -0.24 -0.69 120.40 118.21 3khr s VAL 1335Ca 0.19 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3khr s VAL 1335Cb -0.04 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 3khr s VAL 1335CO 0.13 -0.27 -0.01 0.00 -3.33 0.00 0.00 175.10 171.61 3khr s ARG 1336N -1.04 0.32 0.03 1.54 1.70 -0.37 -0.84 118.95 120.29 3khr s ARG 1336Ca -0.11 -0.58 0.06 0.00 -0.47 0.00 0.00 55.73 54.62 3khr s ARG 1336Cb -0.06 0.12 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 3khr s ARG 1336CO 0.02 -0.06 -0.13 -0.06 -1.08 0.00 0.00 175.30 173.99 3khr s PHE 1337N -1.43 2.70 0.17 5.89 0.08 0.88 -1.27 117.98 124.99 3khr s PHE 1337Ca -0.16 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.70 3khr s PHE 1337Cb -0.10 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3khr s PHE 1337CO -0.01 0.31 0.27 -1.13 -0.10 0.00 0.00 175.22 174.57 3khr n SER 1338N 1.48 -0.77 -3.30 1.36 3.41 -0.50 -1.24 113.62 114.06 3khr n SER 1338Ca -0.16 -1.84 -0.11 0.00 -0.26 0.00 0.00 58.87 56.51 3khr n SER 1338Cb 0.52 1.37 0.02 0.00 -0.26 0.00 0.00 64.21 65.86 3khr n SER 1338CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3khr n LYS 1339N -0.26 -1.47 -2.72 4.33 5.02 -1.26 -1.92 118.16 119.88 3khr n LYS 1339Ca -0.01 1.14 -0.41 0.00 -2.02 0.00 0.00 58.31 57.01 3khr n LYS 1339Cb 0.28 -4.92 -0.05 0.00 -0.02 0.00 0.00 35.03 30.32 3khr n LYS 1339CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3khr s PHE 1340N -3.11 3.83 -1.90 2.13 0.08 -1.26 -1.12 117.98 116.63 3khr s PHE 1340Ca 0.12 1.81 0.00 0.00 0.12 0.00 0.00 56.93 58.99 3khr s PHE 1340Cb -0.03 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3khr s PHE 1340CO 0.79 0.20 0.47 -0.89 -0.10 0.00 0.00 175.22 175.70