#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejx s ASN 1003N 0.00 1.81 -0.08 -3.46 0.01 -1.26 -5.12 114.94 106.84 1ejx s ASN 1003Ca 0.00 -1.27 -0.12 0.00 -0.71 0.00 0.00 52.86 50.76 1ejx s ASN 1003Cb 0.00 0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.71 1ejx s ASN 1003CO 0.00 -0.56 0.31 -0.51 -1.51 0.00 0.00 177.10 174.83 1ejx s ILE 1004N -3.45 0.03 0.72 0.60 2.07 -1.26 -5.13 121.20 114.77 1ejx s ILE 1004Ca 0.31 -0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.21 1ejx s ILE 1004Cb 0.06 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 42.18 1ejx s ILE 1004CO 0.10 -0.11 1.11 -0.94 -1.91 0.00 0.00 174.94 173.19 1ejx s SER 1005N -0.46 4.73 0.30 4.50 1.04 -1.26 -4.86 113.70 117.70 1ejx s SER 1005Ca -0.06 1.95 0.01 0.00 0.48 0.00 0.00 55.95 58.33 1ejx s SER 1005Cb -0.04 -2.54 0.47 0.00 0.10 0.00 0.00 66.02 64.01 1ejx s SER 1005CO 0.02 -1.88 1.83 0.03 0.98 0.00 0.00 173.24 174.21 1ejx h ARG 1006N -0.54 0.69 -0.13 4.02 3.08 -2.00 -1.31 114.38 118.18 1ejx h ARG 1006Ca -0.45 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 1ejx h ARG 1006Cb 1.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1ejx h ARG 1006CO 0.52 0.68 0.06 0.37 -1.07 0.00 0.00 179.97 180.53 1ejx h GLN 1007N 0.65 0.20 -0.79 0.04 5.75 -1.99 0.38 115.11 119.35 1ejx h GLN 1007Ca 0.14 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 1ejx h GLN 1007Cb 0.36 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1ejx h GLN 1007CO 0.01 0.26 0.51 0.00 -2.65 0.00 0.00 178.83 176.97 1ejx h ALA 1008N 0.92 1.66 -0.05 3.38 0.00 -1.89 0.17 119.26 123.45 1ejx h ALA 1008Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ejx h ALA 1008Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ejx h ALA 1008CO -0.01 0.21 -0.03 -0.92 0.00 0.00 0.00 179.25 178.51 1ejx h TYR 1009N 0.83 0.12 -0.95 0.00 3.20 -0.94 0.66 116.97 119.89 1ejx h TYR 1009Ca 0.34 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1ejx h TYR 1009Cb 0.27 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1ejx h TYR 1009CO -0.00 0.51 0.60 0.00 -1.64 0.00 0.00 178.16 177.62 1ejx h ALA 1010N 0.59 1.26 -0.84 1.82 0.00 0.87 -0.30 119.26 122.67 1ejx h ALA 1010Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ejx h ALA 1010Cb 0.48 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ejx h ALA 1010CO 0.01 0.65 0.40 -0.44 0.00 0.00 0.00 179.25 179.87 1ejx h ASP 1011N 1.30 1.09 0.41 0.00 3.45 -0.54 -0.29 116.42 121.84 1ejx h ASP 1011Ca 0.34 -0.13 -0.30 0.00 0.43 0.00 0.00 57.03 57.37 1ejx h ASP 1011Cb -0.10 -0.28 0.02 0.00 -0.56 0.00 0.00 39.33 38.41 1ejx h ASP 1011CO -0.07 0.92 -1.33 -0.03 -1.57 0.00 0.00 179.24 177.16 1ejx h MET 1012N 1.19 0.43 0.00 3.56 4.05 0.07 -3.39 114.93 120.84 1ejx h MET 1012Ca 0.29 -0.70 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1ejx h MET 1012Cb 0.12 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1ejx h MET 1012CO -0.04 1.33 0.00 1.19 0.23 0.00 0.00 176.91 179.62 1ejx n PHE 1013N -3.65 0.00 0.00 1.39 3.01 -0.21 -4.98 117.46 113.02 1ejx n PHE 1013Ca -0.13 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.21 1ejx n PHE 1013Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 1ejx n PHE 1013CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ejx n GLY 1014N -0.12 -0.15 3.74 1.37 0.00 -0.12 -4.31 105.19 105.60 1ejx n GLY 1014Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1ejx n GLY 1014CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ejx s PRO 1015N -2.44 2.39 0.40 1.61 0.04 -1.26 -4.21 135.00 131.53 1ejx s PRO 1015Ca 0.00 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1ejx s PRO 1015Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ejx s PRO 1015CO 0.00 -1.60 0.12 -2.37 0.04 0.00 0.00 177.00 173.19 1ejx n THR 1016N -2.63 0.00 -1.58 1.26 5.66 -1.26 -4.91 114.28 110.82 1ejx n THR 1016Ca 0.12 -2.25 -0.62 0.00 -3.05 0.00 0.00 64.05 58.26 1ejx n THR 1016Cb 0.51 0.77 -0.09 0.00 -1.55 0.00 0.00 70.33 69.97 1ejx n THR 1016CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1ejx n VAL 1017N -0.90 0.00 0.00 1.08 0.31 -1.26 -1.26 118.33 116.29 1ejx n VAL 1017Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ejx n VAL 1017Cb 0.58 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1ejx n VAL 1017CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ejx n GLY 1018N 2.76 3.10 3.79 2.92 0.00 -0.61 -4.94 105.19 112.21 1ejx n GLY 1018Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1ejx n GLY 1018CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ejx s ASP 1019N -0.13 5.84 0.17 1.61 1.01 -0.39 -4.74 116.67 120.05 1ejx s ASP 1019Ca 0.00 1.91 0.11 0.00 0.71 0.00 0.00 52.55 55.27 1ejx s ASP 1019Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1ejx s ASP 1019CO 0.00 -1.13 -0.23 -0.54 0.21 0.00 0.00 175.17 173.48 1ejx s LYS 1020N -3.78 1.42 -0.05 8.23 1.02 -1.26 -1.21 119.74 124.12 1ejx s LYS 1020Ca 0.66 -1.45 0.01 0.00 0.02 0.00 0.00 55.97 55.21 1ejx s LYS 1020Cb -0.17 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 1ejx s LYS 1020CO 0.32 0.37 -0.05 0.08 -0.92 0.00 0.00 175.35 175.15 1ejx s VAL 1021N -1.61 0.59 0.02 3.17 1.01 0.60 -4.95 120.40 119.22 1ejx s VAL 1021Ca 0.18 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1ejx s VAL 1021Cb -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1ejx s VAL 1021CO 0.08 0.24 1.10 -0.60 0.00 0.00 0.00 175.10 175.92 1ejx s ARG 1022N 0.94 4.48 -0.46 2.72 3.52 -1.26 -1.32 118.95 127.56 1ejx s ARG 1022Ca -0.11 1.60 -0.28 0.00 -0.13 0.00 0.00 55.73 56.81 1ejx s ARG 1022Cb -0.14 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1ejx s ARG 1022CO 0.00 -0.19 1.48 -0.51 -0.81 0.00 0.00 175.30 175.27 1ejx s LEU 1023N 1.20 3.50 0.00 -0.88 1.43 -0.20 -4.73 118.68 119.01 1ejx s LEU 1023Ca 0.55 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ejx s LEU 1023Cb -0.25 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1ejx s LEU 1023CO 0.27 -1.60 0.00 0.00 0.23 0.00 0.00 176.35 175.26 1ejx n ALA 1024N 9.42 0.00 -1.20 4.21 0.00 0.10 -1.78 120.51 131.26 1ejx n ALA 1024Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1ejx n ALA 1024Cb 0.48 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.17 1ejx n ALA 1024CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ejx n ASP 1025N 0.82 3.84 -4.65 0.00 5.75 -1.26 -4.84 116.55 116.22 1ejx n ASP 1025Ca 0.00 -3.48 -0.24 0.00 -0.01 0.00 0.00 54.79 51.07 1ejx n ASP 1025Cb 0.00 -0.74 0.11 0.00 -1.03 0.00 0.00 41.12 39.46 1ejx n ASP 1025CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ejx s THR 1026N -3.15 2.11 -2.15 2.12 -4.23 -0.74 -4.75 115.64 104.85 1ejx s THR 1026Ca 0.53 -0.58 0.19 0.00 -1.18 0.00 0.00 61.69 60.64 1ejx s THR 1026Cb 0.44 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 72.21 1ejx s THR 1026CO 0.09 0.00 1.42 -0.62 -0.54 0.00 0.00 174.62 174.98 1ejx n GLU 1027N -2.87 2.18 -2.95 3.99 -0.58 -1.26 -4.69 120.64 114.46 1ejx n GLU 1027Ca 0.15 -1.82 -0.40 0.00 -0.42 0.00 0.00 57.16 54.67 1ejx n GLU 1027Cb 0.61 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 30.00 1ejx n GLU 1027CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ejx s LEU 1028N -1.21 4.36 -0.06 -4.62 1.43 -1.26 -5.01 118.68 112.31 1ejx s LEU 1028Ca 0.35 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1ejx s LEU 1028Cb 0.19 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1ejx s LEU 1028CO 0.26 -0.11 -0.16 0.26 0.23 0.00 0.00 176.35 176.82 1ejx s TRP 1029N 0.62 1.72 0.04 0.29 0.52 -1.26 -1.04 118.94 119.84 1ejx s TRP 1029Ca 0.41 -0.56 0.03 0.00 0.02 0.00 0.00 56.10 55.99 1ejx s TRP 1029Cb -0.19 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1ejx s TRP 1029CO 0.22 -0.23 0.02 0.96 0.02 0.00 0.00 176.95 177.94 1ejx s ILE 1030N 0.26 4.21 -0.08 2.03 -4.36 -0.44 0.01 121.20 122.83 1ejx s ILE 1030Ca -0.09 -0.75 0.04 0.00 -0.26 0.00 0.00 60.65 59.59 1ejx s ILE 1030Cb -0.13 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1ejx s ILE 1030CO 0.03 0.24 -0.21 -0.70 0.24 0.00 0.00 174.94 174.54 1ejx s GLU 1031N -1.98 2.63 0.08 0.37 2.12 -1.26 -0.29 118.70 120.37 1ejx s GLU 1031Ca 0.24 -0.77 -0.31 0.00 0.36 0.00 0.00 54.97 54.49 1ejx s GLU 1031Cb -0.12 -2.05 -0.09 0.00 0.26 0.00 0.00 34.13 32.13 1ejx s GLU 1031CO 0.15 0.17 1.84 0.08 -0.54 0.00 0.00 175.26 176.97 1ejx s VAL 1032N 0.33 2.80 -0.05 3.70 1.01 -0.35 -4.85 120.40 123.00 1ejx s VAL 1032Ca -0.15 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1ejx s VAL 1032Cb -0.17 -3.09 -0.25 0.00 0.00 0.00 0.00 36.38 32.88 1ejx s VAL 1032CO 0.07 -0.00 0.65 -0.33 0.00 0.00 0.00 175.10 175.49 1ejx h GLU 1033N 9.22 0.12 -3.11 2.72 5.08 -1.29 -1.62 114.58 125.70 1ejx h GLU 1033Ca -0.46 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 57.66 1ejx h GLU 1033Cb 1.22 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1ejx h GLU 1033CO 0.94 0.84 0.13 0.34 -1.00 0.00 0.00 179.01 180.26 1ejx s ASP 1034N -6.55 -0.48 -0.06 1.42 -1.08 -1.24 -4.88 116.67 103.80 1ejx s ASP 1034Ca -0.10 -0.09 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 1ejx s ASP 1034Cb 0.07 0.57 0.03 0.00 -1.46 0.00 0.00 42.92 42.13 1ejx s ASP 1034CO 0.81 -0.94 0.01 -0.62 0.52 0.00 0.00 175.17 174.96 1ejx s ASP 1035N -2.77 1.28 0.00 -0.34 -1.08 -1.26 -0.41 116.67 112.09 1ejx s ASP 1035Ca 0.02 -0.04 0.20 0.00 -0.52 0.00 0.00 52.55 52.21 1ejx s ASP 1035Cb -0.00 -0.33 0.98 0.00 -1.46 0.00 0.00 42.92 42.10 1ejx s ASP 1035CO -0.13 -0.19 1.66 0.18 0.52 0.00 0.00 175.17 177.21 1ejx n LEU 1036N 5.00 0.75 -4.83 -1.34 4.77 0.55 -4.92 117.00 116.98 1ejx n LEU 1036Ca -0.10 -0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.28 1ejx n LEU 1036Cb 0.50 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 41.74 1ejx n LEU 1036CO 0.12 0.15 0.79 0.28 -1.33 0.00 0.00 177.39 177.40 1ejx s THR 1037N -1.91 1.89 -0.23 -5.08 -1.32 -1.26 -4.47 115.64 103.26 1ejx s THR 1037Ca 0.31 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.81 1ejx s THR 1037Cb 0.15 -2.85 0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1ejx s THR 1037CO 0.24 0.00 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.63 1ejx s THR 1038N -3.59 2.08 0.01 5.08 2.01 -1.26 -5.08 115.64 114.89 1ejx s THR 1038Ca 0.72 -1.38 -0.33 0.00 0.31 0.00 0.00 61.69 61.01 1ejx s THR 1038Cb -0.07 -2.10 -0.12 0.00 0.01 0.00 0.00 72.50 70.22 1ejx s THR 1038CO 0.54 0.15 1.82 -1.22 -0.69 0.00 0.00 174.62 175.21 1ejx n TYR 1039N 4.51 2.38 0.00 4.92 0.53 -1.26 -0.39 117.16 127.85 1ejx n TYR 1039Ca -0.16 -0.01 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 1ejx n TYR 1039Cb 0.45 -2.66 0.00 0.00 -1.03 0.00 0.00 39.34 36.09 1ejx n TYR 1039CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ejx n GLY 1040N 4.18 2.28 0.41 2.72 0.00 -1.26 -4.93 105.19 108.59 1ejx n GLY 1040Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1ejx n GLY 1040CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ejx n GLU 1041N -0.81 2.87 -1.54 1.61 -0.58 0.47 -5.03 120.64 117.62 1ejx n GLU 1041Ca 0.00 -1.92 -0.36 0.00 -0.42 0.00 0.00 57.16 54.46 1ejx n GLU 1041Cb 0.00 -1.21 0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1ejx n GLU 1041CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ejx n GLU 1042N 0.04 0.83 -4.08 3.49 4.71 -1.24 -4.83 120.64 119.55 1ejx n GLU 1042Ca 0.08 0.34 -0.35 0.00 -0.01 0.00 0.00 57.16 57.22 1ejx n GLU 1042Cb 0.40 -2.46 -0.09 0.00 -1.01 0.00 0.00 31.44 28.28 1ejx n GLU 1042CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1ejx s VAL 1043N -1.60 4.82 0.03 2.62 -7.23 -1.26 -4.92 120.40 112.86 1ejx s VAL 1043Ca 0.79 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.96 1ejx s VAL 1043Cb -0.36 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 1ejx s VAL 1043CO 0.44 0.54 -0.09 -0.54 -0.31 0.00 0.00 175.10 175.14 1ejx s LYS 1044N -0.33 0.63 -0.05 4.82 1.02 -1.26 -4.69 119.74 119.88 1ejx s LYS 1044Ca 0.09 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1ejx s LYS 1044Cb -0.12 -0.53 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1ejx s LYS 1044CO 0.02 0.12 -0.07 0.12 -0.92 0.00 0.00 175.35 174.62 1ejx s PHE 1045N -0.90 2.91 -5.00 3.18 5.36 -1.26 -2.19 117.98 120.08 1ejx s PHE 1045Ca -0.03 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1ejx s PHE 1045Cb -0.07 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.92 1ejx s PHE 1045CO 0.01 0.33 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 1ejx n GLY 1046N 2.10 -0.90 3.68 13.12 0.00 -1.26 -4.95 105.19 116.97 1ejx n GLY 1046Ca -0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1ejx n GLY 1046CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1047N -0.55 1.75 2.63 -0.02 0.00 -1.26 -1.42 105.19 106.32 1ejx n GLY 1047Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.62 1ejx n GLY 1047CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1048N 4.36 1.56 0.00 -0.02 0.00 -1.26 -4.98 105.19 104.85 1ejx n GLY 1048Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ejx n GLY 1048CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ejx n LYS 1049N -1.90 0.90 -0.06 1.61 5.02 -0.50 -5.03 118.16 118.20 1ejx n LYS 1049Ca -0.16 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.99 1ejx n LYS 1049Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.55 1ejx n LYS 1049CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ejx h VAL 1050N -0.34 1.34 -0.68 -0.18 2.07 -1.73 -3.40 116.25 113.33 1ejx h VAL 1050Ca 0.00 -1.59 -0.65 0.00 0.82 0.00 0.00 66.70 65.28 1ejx h VAL 1050Cb 0.00 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1ejx h VAL 1050CO 0.00 0.49 2.23 -0.38 0.02 0.00 0.00 177.57 179.93 1ejx n ILE 1051N -4.30 3.63 -3.87 4.57 2.08 -1.03 0.52 119.36 120.96 1ejx n ILE 1051Ca -0.06 -3.68 -0.11 0.00 0.56 0.00 0.00 62.75 59.46 1ejx n ILE 1051Cb 0.51 -2.37 -0.09 0.00 -0.75 0.00 0.00 39.64 36.94 1ejx n ILE 1051CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1ejx s ARG 1052N 4.33 0.56 0.02 0.38 0.52 -1.26 -4.79 118.95 118.70 1ejx s ARG 1052Ca 0.55 -0.52 -0.37 0.00 -0.52 0.00 0.00 55.73 54.87 1ejx s ARG 1052Cb 0.05 0.23 -0.16 0.00 0.52 0.00 0.00 34.95 35.60 1ejx s ARG 1052CO 0.06 -0.14 1.51 -3.47 0.02 0.00 0.00 175.30 173.28 1ejx n ASP 1053N 1.13 2.22 0.00 0.23 2.03 -1.26 -1.38 116.55 119.53 1ejx n ASP 1053Ca -0.21 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1ejx n ASP 1053Cb 0.57 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1ejx n ASP 1053CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ejx n GLY 1054N 3.17 2.70 0.00 0.27 0.00 0.78 -4.90 105.19 107.20 1ejx n GLY 1054Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ejx n GLY 1054CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ejx n MET 1055N -2.00 0.00 0.00 1.61 2.81 -0.48 -4.83 117.12 114.24 1ejx n MET 1055Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1ejx n MET 1055Cb 0.00 0.00 0.47 0.00 -0.71 0.00 0.00 33.22 32.98 1ejx n MET 1055CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ejx n GLY 1056N 5.00 -1.03 3.35 3.03 0.00 0.19 -4.36 105.19 111.36 1ejx n GLY 1056Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1ejx n GLY 1056CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ejx s GLN 1057N -2.73 3.38 0.00 1.61 0.74 -0.94 -2.78 119.66 118.94 1ejx s GLN 1057Ca 0.16 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1ejx s GLN 1057Cb 0.13 -2.73 0.00 0.00 1.10 0.00 0.00 33.01 31.51 1ejx s GLN 1057CO 0.33 0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 1ejx n GLY 1058N 3.87 0.86 0.95 2.59 0.00 -0.14 -0.16 105.19 113.16 1ejx n GLY 1058Ca -0.18 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 43.97 1ejx n GLY 1058CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ejx n GLN 1059N -0.73 3.05 -2.07 1.61 1.13 -1.26 -4.25 117.38 114.86 1ejx n GLN 1059Ca 0.00 -2.45 -0.33 0.00 -1.94 0.00 0.00 57.00 52.28 1ejx n GLN 1059Cb 0.00 -1.55 0.01 0.00 0.11 0.00 0.00 30.24 28.81 1ejx n GLN 1059CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ejx s MET 1060N -1.56 3.29 0.85 -1.09 0.23 -1.26 -4.99 119.30 114.77 1ejx s MET 1060Ca 0.35 1.28 -0.12 0.00 -1.03 0.00 0.00 55.69 56.17 1ejx s MET 1060Cb 0.22 -2.02 0.11 0.00 -1.53 0.00 0.00 34.83 31.61 1ejx s MET 1060CO 0.18 -0.84 1.17 -0.51 -2.03 0.00 0.00 175.02 172.98 1ejx s LEU 1061N -4.40 2.32 0.34 0.18 1.43 -1.26 -4.50 118.68 112.79 1ejx s LEU 1061Ca 0.65 0.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.65 1ejx s LEU 1061Cb -0.17 -3.23 0.77 0.00 0.03 0.00 0.00 46.19 43.58 1ejx s LEU 1061CO 0.35 -2.19 1.85 0.00 0.23 0.00 0.00 176.35 176.60 1ejx h ALA 1062N -1.25 1.77 0.00 4.21 0.00 -1.96 0.16 119.26 122.18 1ejx h ALA 1062Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ejx h ALA 1062Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ejx h ALA 1062CO 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1ejx h ALA 1063N 1.59 1.00 -0.54 0.00 0.00 -2.00 -2.33 119.26 116.99 1ejx h ALA 1063Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ejx h ALA 1063Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ejx h ALA 1063CO -0.23 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1ejx n ASP 1064N -3.08 4.00 -4.11 0.00 8.00 0.53 -4.95 116.55 116.94 1ejx n ASP 1064Ca -0.01 -2.31 -0.09 0.00 0.71 0.00 0.00 54.79 53.09 1ejx n ASP 1064Cb 0.20 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 1ejx n ASP 1064CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ejx s VAL 1066N -4.01 4.63 -0.02 0.00 -7.23 -0.85 -4.90 120.40 108.01 1ejx s VAL 1066Ca 0.19 0.97 0.11 0.00 -1.81 0.00 0.00 61.98 61.44 1ejx s VAL 1066Cb 0.07 -3.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.13 1ejx s VAL 1066CO -0.01 -1.01 1.36 0.44 -0.31 0.00 0.00 175.10 175.57 1ejx h ASP 1067N 0.01 0.00 -3.92 4.85 3.32 -1.29 -3.31 116.42 116.08 1ejx h ASP 1067Ca -0.45 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 1ejx h ASP 1067Cb 1.19 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.49 1ejx h ASP 1067CO 0.62 0.74 -0.43 -0.22 -1.72 0.00 0.00 179.24 178.23 1ejx s LEU 1068N -6.58 1.10 -0.06 1.55 2.96 -0.61 -0.60 118.68 116.45 1ejx s LEU 1068Ca 0.03 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1ejx s LEU 1068Cb 0.09 0.83 0.00 0.00 0.50 0.00 0.00 46.19 47.61 1ejx s LEU 1068CO 0.78 -0.11 -0.17 0.54 -1.32 0.00 0.00 176.35 176.07 1ejx s VAL 1069N 0.00 1.43 -0.33 1.68 0.11 -0.74 -0.42 120.40 122.12 1ejx s VAL 1069Ca -0.01 -0.69 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 1ejx s VAL 1069Cb -0.02 -1.25 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1ejx s VAL 1069CO 0.01 0.42 0.15 -0.76 -3.33 0.00 0.00 175.10 171.59 1ejx s LEU 1070N 0.27 4.29 0.08 2.54 1.02 -0.35 -1.21 118.68 125.32 1ejx s LEU 1070Ca -0.09 -0.77 -0.23 0.00 0.02 0.00 0.00 54.13 53.06 1ejx s LEU 1070Cb -0.14 -1.98 -0.07 0.00 0.02 0.00 0.00 46.19 44.03 1ejx s LEU 1070CO 0.04 -0.27 0.68 0.42 0.02 0.00 0.00 176.35 177.23 1ejx s THR 1071N 1.55 4.66 -1.47 5.49 -4.23 -0.19 -1.47 115.64 119.99 1ejx s THR 1071Ca 0.03 1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.89 1ejx s THR 1071Cb -0.18 -4.03 0.06 0.00 1.34 0.00 0.00 72.50 69.70 1ejx s THR 1071CO 0.05 0.48 0.99 0.59 -0.54 0.00 0.00 174.62 176.20 1ejx n ASN 1072N 2.11 -4.65 -4.79 3.99 3.02 -1.25 0.59 115.26 114.28 1ejx n ASN 1072Ca -0.07 -0.74 -0.36 0.00 -0.03 0.00 0.00 54.58 53.39 1ejx n ASN 1072Cb 0.50 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 1ejx n ASN 1072CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ejx s ALA 1073N -3.35 3.07 -0.44 5.41 0.00 -0.33 -3.18 121.76 122.94 1ejx s ALA 1073Ca 0.56 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1ejx s ALA 1073Cb -0.27 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.68 1ejx s ALA 1073CO 0.81 -0.15 0.31 -1.17 0.00 0.00 0.00 175.76 175.56 1ejx s LEU 1074N -2.75 5.35 0.13 0.00 2.96 -0.94 -1.19 118.68 122.24 1ejx s LEU 1074Ca 0.59 -1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 1ejx s LEU 1074Cb -0.19 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.38 1ejx s LEU 1074CO 0.25 -0.59 1.08 -0.63 -1.32 0.00 0.00 176.35 175.14 1ejx s ILE 1075N 1.49 4.10 -0.23 6.68 1.01 0.45 -1.18 121.20 133.53 1ejx s ILE 1075Ca 0.03 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.42 1ejx s ILE 1075Cb -0.24 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.18 1ejx s ILE 1075CO 0.03 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.42 1ejx s VAL 1076N 0.11 1.94 0.28 2.92 1.01 -0.62 -1.71 120.40 124.33 1ejx s VAL 1076Ca 0.50 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1ejx s VAL 1076Cb -0.27 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1ejx s VAL 1076CO 0.32 0.12 0.43 -0.62 0.00 0.00 0.00 175.10 175.35 1ejx s ASP 1077N 1.24 0.39 0.61 3.32 2.15 -0.73 -4.49 116.67 119.17 1ejx s ASP 1077Ca -0.04 -1.25 0.39 0.00 0.43 0.00 0.00 52.55 52.08 1ejx s ASP 1077Cb -0.18 0.59 2.00 0.00 -0.30 0.00 0.00 42.92 45.04 1ejx s ASP 1077CO -0.07 -1.17 2.23 1.12 -0.17 0.00 0.00 175.17 177.11 1ejx h HIS 1078N 2.25 0.00 -0.00 -5.34 2.07 -1.94 -2.73 115.15 109.46 1ejx h HIS 1078Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 1ejx h HIS 1078Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1ejx h HIS 1078CO 0.87 0.02 -0.62 -2.67 -3.07 0.00 0.00 177.93 172.46 1ejx n TRP 1079N -3.23 0.00 0.00 6.12 4.27 -1.26 -4.91 117.44 118.43 1ejx n TRP 1079Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1ejx n TRP 1079Cb 0.15 -0.19 0.00 0.00 -1.36 0.00 0.00 31.31 29.91 1ejx n TRP 1079CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ejx n GLY 1080N 1.50 2.38 3.03 -1.67 0.00 -1.03 -5.06 105.19 104.34 1ejx n GLY 1080Ca 0.05 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1ejx n GLY 1080CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ejx s ILE 1081N -2.00 2.70 0.03 -0.61 1.01 -1.26 -1.76 121.20 119.31 1ejx s ILE 1081Ca 0.00 -2.60 0.04 0.00 0.00 0.00 0.00 60.65 58.09 1ejx s ILE 1081Cb 0.00 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1ejx s ILE 1081CO 0.00 -0.70 -0.11 0.68 0.00 0.00 0.00 174.94 174.82 1ejx s VAL 1082N 0.55 0.82 -0.08 2.92 -7.23 -0.69 -0.73 120.40 115.97 1ejx s VAL 1082Ca 0.13 -0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 59.16 1ejx s VAL 1082Cb -0.22 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1ejx s VAL 1082CO -0.05 -0.10 0.71 -0.75 -0.31 0.00 0.00 175.10 174.61 1ejx s LYS 1083N -1.11 4.42 0.00 4.82 2.47 0.45 -0.41 119.74 130.38 1ejx s LYS 1083Ca -0.02 0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 54.99 1ejx s LYS 1083Cb -0.08 -3.46 0.10 0.00 -1.46 0.00 0.00 37.83 32.93 1ejx s LYS 1083CO 0.01 0.02 0.95 0.00 0.16 0.00 0.00 175.35 176.49 1ejx s ALA 1084N 0.96 -1.84 0.23 3.13 0.00 -0.34 -0.33 121.76 123.58 1ejx s ALA 1084Ca 0.37 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 1ejx s ALA 1084Cb -0.18 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 1ejx s ALA 1084CO 0.17 -0.76 0.56 -0.51 0.00 0.00 0.00 175.76 175.23 1ejx s ASP 1085N -2.55 6.66 -0.14 0.00 1.01 -0.27 -1.18 116.67 120.20 1ejx s ASP 1085Ca 0.07 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.32 1ejx s ASP 1085Cb -0.01 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.69 1ejx s ASP 1085CO -0.06 -0.06 -0.22 -0.63 0.21 0.00 0.00 175.17 174.41 1ejx s ILE 1086N -1.79 2.09 -0.10 0.77 1.01 -0.54 -1.16 121.20 121.48 1ejx s ILE 1086Ca 0.47 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1ejx s ILE 1086Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1ejx s ILE 1086CO 0.21 0.55 -0.00 -0.83 0.00 0.00 0.00 174.94 174.86 1ejx s GLY 1087N 0.82 1.82 -0.04 6.18 0.00 -0.55 -1.21 107.32 114.34 1ejx s GLY 1087Ca -0.07 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1ejx s GLY 1087CO -0.02 -0.44 -0.18 0.14 0.00 0.00 0.00 173.10 172.59 1ejx s VAL 1088N -0.57 1.52 -0.13 1.40 1.01 0.43 -0.81 120.40 123.24 1ejx s VAL 1088Ca 0.09 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1ejx s VAL 1088Cb -0.12 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1ejx s VAL 1088CO 0.02 0.43 0.34 -0.75 0.00 0.00 0.00 175.10 175.14 1ejx s LYS 1089N -0.04 0.34 -1.49 2.72 2.20 0.24 -1.01 119.74 122.70 1ejx s LYS 1089Ca -0.03 0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 56.05 1ejx s LYS 1089Cb -0.11 0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.33 1ejx s LYS 1089CO 0.02 -0.11 0.80 -0.25 -0.36 0.00 0.00 175.35 175.45 1ejx n ASP 1090N 3.68 -4.55 -0.01 1.43 8.00 -1.26 -1.05 116.55 122.80 1ejx n ASP 1090Ca -0.19 -0.65 -0.00 0.00 0.71 0.00 0.00 54.79 54.66 1ejx n ASP 1090Cb 0.56 -3.67 -0.00 0.00 -0.02 0.00 0.00 41.12 37.99 1ejx n ASP 1090CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ejx n GLY 1091N -1.51 0.31 3.32 0.44 0.00 -1.26 -5.00 105.19 101.48 1ejx n GLY 1091Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1ejx n GLY 1091CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ejx s ARG 1092N -0.79 1.24 -0.27 1.61 0.52 -0.21 -1.03 118.95 120.03 1ejx s ARG 1092Ca 0.00 -1.51 -0.29 0.00 -0.52 0.00 0.00 55.73 53.41 1ejx s ARG 1092Cb 0.00 -1.03 -0.01 0.00 0.52 0.00 0.00 34.95 34.43 1ejx s ARG 1092CO 0.00 0.17 1.51 0.42 0.02 0.00 0.00 175.30 177.43 1ejx s ILE 1093N -2.86 3.83 -0.12 1.52 -1.09 0.46 -0.60 121.20 122.35 1ejx s ILE 1093Ca 0.19 0.93 -0.18 0.00 -2.23 0.00 0.00 60.65 59.36 1ejx s ILE 1093Cb -0.01 -3.88 -0.16 0.00 -1.58 0.00 0.00 42.46 36.82 1ejx s ILE 1093CO 0.05 -0.40 0.52 0.15 -1.23 0.00 0.00 174.94 174.03 1ejx h PHE 1094N 10.43 -0.01 -3.07 3.97 3.57 -1.26 0.14 116.94 130.70 1ejx h PHE 1094Ca -0.31 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.17 1ejx h PHE 1094Cb 1.13 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.76 1ejx h PHE 1094CO 0.91 0.60 0.16 0.00 -2.23 0.00 0.00 178.31 177.75 1ejx s ALA 1095N -2.46 -1.47 -0.22 2.41 0.00 -1.18 -4.80 121.76 114.03 1ejx s ALA 1095Ca -0.12 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1ejx s ALA 1095Cb -0.02 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.01 1ejx s ALA 1095CO 0.44 -0.76 -0.11 0.42 0.00 0.00 0.00 175.76 175.75 1ejx s ILE 1096N -3.77 1.84 0.00 0.00 1.01 -1.26 -1.48 121.20 117.54 1ejx s ILE 1096Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1ejx s ILE 1096Cb -0.01 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1ejx s ILE 1096CO -0.12 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1ejx n GLY 1097N 4.60 -0.64 3.05 6.18 0.00 -0.31 -4.97 105.19 113.10 1ejx n GLY 1097Ca -0.15 0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1ejx n GLY 1097CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ejx s LYS 1098N -0.05 2.31 0.30 1.61 2.36 -1.26 -1.11 119.74 123.90 1ejx s LYS 1098Ca 0.00 -1.08 -0.11 0.00 -2.55 0.00 0.00 55.97 52.23 1ejx s LYS 1098Cb 0.00 -2.68 -0.07 0.00 -1.05 0.00 0.00 37.83 34.02 1ejx s LYS 1098CO 0.00 -0.46 0.65 0.00 1.55 0.00 0.00 175.35 177.09 1ejx s ALA 1099N 1.24 3.45 0.00 3.13 0.00 -1.26 0.54 121.76 128.86 1ejx s ALA 1099Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1ejx s ALA 1099Cb -0.17 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1ejx s ALA 1099CO -0.08 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1ejx n GLY 1100N -0.51 -0.31 3.28 0.00 0.00 0.24 -4.65 105.19 103.24 1ejx n GLY 1100Ca 0.02 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1ejx n GLY 1100CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ejx s ASN 1101N -4.00 4.16 0.48 1.61 2.47 -1.12 -1.27 114.94 117.28 1ejx s ASN 1101Ca 0.00 -0.44 0.32 0.00 0.42 0.00 0.00 52.86 53.15 1ejx s ASN 1101Cb 0.00 -1.71 1.35 0.00 -1.45 0.00 0.00 41.25 39.45 1ejx s ASN 1101CO 0.00 -0.02 1.94 -0.65 -3.72 0.00 0.00 177.10 174.64 1ejx h PRO 1102N 8.09 0.00 0.00 0.43 0.11 -1.92 -0.16 132.00 138.54 1ejx h PRO 1102Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1ejx h PRO 1102Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ejx h PRO 1102CO 0.61 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.87 1ejx h ASP 1103N 0.00 0.00 0.00 -2.05 3.32 -1.94 -3.34 116.42 112.41 1ejx h ASP 1103Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ejx h ASP 1103Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ejx h ASP 1103CO 0.00 0.09 -0.00 2.30 -1.72 0.00 0.00 179.24 179.90 1ejx n ILE 1104N -3.98 0.00 -4.34 0.35 -5.35 -1.10 -5.10 119.36 99.84 1ejx n ILE 1104Ca -0.02 -0.12 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 1ejx n ILE 1104Cb 0.18 0.98 -0.11 0.00 -1.74 0.00 0.00 39.64 38.95 1ejx n ILE 1104CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1ejx s GLN 1105N -0.26 2.15 0.37 6.28 -0.21 -0.09 -5.07 119.66 122.82 1ejx s GLN 1105Ca 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 55.36 54.29 1ejx s GLN 1105Cb 0.00 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.65 1ejx s GLN 1105CO 0.00 0.52 0.72 -1.25 -2.12 0.00 0.00 175.29 173.16 1ejx s PRO 1106N -1.96 3.78 -1.86 2.91 0.04 -1.26 -4.41 135.00 132.24 1ejx s PRO 1106Ca 0.19 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1ejx s PRO 1106Cb -0.11 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1ejx s PRO 1106CO 0.11 0.04 0.00 0.09 0.04 0.00 0.00 177.00 177.28 1ejx n ASN 1107N -1.08 -5.16 -4.65 6.66 5.03 -1.26 -4.93 115.26 109.87 1ejx n ASN 1107Ca 0.02 0.39 -0.43 0.00 0.87 0.00 0.00 54.58 55.43 1ejx n ASN 1107Cb 0.54 -4.23 -0.03 0.00 -1.02 0.00 0.00 39.78 35.04 1ejx n ASN 1107CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ejx s VAL 1108N -2.69 3.75 -0.68 2.41 1.01 -1.26 -4.58 120.40 118.36 1ejx s VAL 1108Ca 0.00 0.88 0.12 0.00 0.00 0.00 0.00 61.98 62.98 1ejx s VAL 1108Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1ejx s VAL 1108CO 0.00 -0.17 0.54 0.35 0.00 0.00 0.00 175.10 175.82 1ejx n THR 1109N 5.84 0.00 -3.83 3.92 -2.24 0.19 -4.85 114.28 113.30 1ejx n THR 1109Ca 0.17 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1ejx n THR 1109Cb 0.44 1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 69.56 1ejx n THR 1109CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ejx s ILE 1110N -1.94 1.62 0.22 2.28 1.01 -0.57 -4.88 121.20 118.94 1ejx s ILE 1110Ca 0.06 -2.21 -0.30 0.00 0.00 0.00 0.00 60.65 58.20 1ejx s ILE 1110Cb 0.09 -2.18 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 1ejx s ILE 1110CO 0.43 -0.73 1.11 -2.16 0.00 0.00 0.00 174.94 173.58 1ejx s PRO 1111N 0.84 4.61 -0.14 2.79 0.04 -1.26 -0.60 135.00 141.28 1ejx s PRO 1111Ca 0.13 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 1ejx s PRO 1111Cb -0.21 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1ejx s PRO 1111CO -0.10 0.13 -0.07 0.42 0.04 0.00 0.00 177.00 177.41 1ejx s ILE 1112N -0.62 3.64 0.00 0.56 1.01 -0.39 -2.02 121.20 123.38 1ejx s ILE 1112Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1ejx s ILE 1112Cb -0.31 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1ejx s ILE 1112CO 0.37 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.44 1ejx n GLY 1113N 3.41 4.35 0.37 6.18 0.00 -1.26 -0.97 105.19 117.27 1ejx n GLY 1113Ca -0.18 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.26 1ejx n GLY 1113CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx h ALA 1114N 1.00 1.77 0.00 4.61 0.00 -1.79 -2.06 119.26 122.78 1ejx h ALA 1114Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ejx h ALA 1114Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ejx h ALA 1114CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1ejx n ALA 1115N -2.38 2.38 -2.75 0.00 0.00 -1.26 -4.85 120.51 111.64 1ejx n ALA 1115Ca 0.21 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 1ejx n ALA 1115Cb 0.55 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 1ejx n ALA 1115CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ejx s THR 1116N -2.00 5.03 0.46 0.00 2.01 -0.78 -4.47 115.64 115.89 1ejx s THR 1116Ca 0.14 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1ejx s THR 1116Cb 0.06 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1ejx s THR 1116CO 0.11 0.34 0.71 -0.70 -0.69 0.00 0.00 174.62 174.39 1ejx s GLU 1117N 1.21 3.21 -0.01 4.92 2.56 0.23 -4.88 118.70 125.94 1ejx s GLU 1117Ca 0.06 -0.24 0.04 0.00 0.00 0.00 0.00 54.97 54.83 1ejx s GLU 1117Cb -0.14 -2.49 -0.01 0.00 2.00 0.00 0.00 34.13 33.49 1ejx s GLU 1117CO 0.05 -0.26 -0.13 0.08 -0.56 0.00 0.00 175.26 174.45 1ejx s VAL 1118N -2.63 1.00 -0.11 3.70 1.01 -1.26 -1.80 120.40 120.32 1ejx s VAL 1118Ca 0.48 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1ejx s VAL 1118Cb -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1ejx s VAL 1118CO 0.40 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 174.94 1ejx s ILE 1119N -0.25 1.92 -0.60 2.22 1.01 -0.35 -4.98 121.20 120.17 1ejx s ILE 1119Ca 0.04 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.50 1ejx s ILE 1119Cb -0.05 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.77 1ejx s ILE 1119CO -0.00 0.53 1.11 0.00 0.00 0.00 0.00 174.94 176.58 1ejx s ALA 1120N 0.56 3.02 -2.69 9.38 0.00 -1.26 -1.02 121.76 129.76 1ejx s ALA 1120Ca -0.14 -1.08 0.24 0.00 0.00 0.00 0.00 51.96 50.97 1ejx s ALA 1120Cb -0.17 -3.96 0.37 0.00 0.00 0.00 0.00 23.12 19.37 1ejx s ALA 1120CO 0.04 -2.66 1.37 0.00 0.00 0.00 0.00 175.76 174.51 1ejx n ALA 1121N 8.22 2.45 -1.69 0.00 0.00 0.20 -4.87 120.51 124.82 1ejx n ALA 1121Ca 0.05 -0.82 -0.44 0.00 0.00 0.00 0.00 53.44 52.23 1ejx n ALA 1121Cb 0.48 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1ejx n ALA 1121CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ejx n GLU 1122N 1.32 2.53 -0.40 0.00 0.00 -0.78 -0.04 120.64 123.28 1ejx n GLU 1122Ca 0.17 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.25 1ejx n GLU 1122Cb 0.58 -2.76 0.00 0.00 0.00 0.00 0.00 31.44 29.26 1ejx n GLU 1122CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ejx n GLY 1123N 3.94 1.16 3.83 -1.84 0.00 -1.26 -4.77 105.19 106.25 1ejx n GLY 1123Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1ejx n GLY 1123CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejx s LYS 1124N -0.39 2.65 -0.12 1.61 -0.14 0.94 -4.38 119.74 119.93 1ejx s LYS 1124Ca 0.00 -1.35 -0.03 0.00 -1.36 0.00 0.00 55.97 53.23 1ejx s LYS 1124Cb 0.00 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 1ejx s LYS 1124CO 0.00 0.09 0.00 0.42 -0.76 0.00 0.00 175.35 175.10 1ejx s ILE 1125N -2.33 4.28 -0.11 2.17 1.01 -0.12 -2.22 121.20 123.88 1ejx s ILE 1125Ca 0.40 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1ejx s ILE 1125Cb -0.05 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1ejx s ILE 1125CO 0.26 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.86 1ejx s VAL 1126N -0.42 2.39 0.32 2.92 1.01 -0.32 -0.38 120.40 125.92 1ejx s VAL 1126Ca 0.08 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1ejx s VAL 1126Cb -0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 1ejx s VAL 1126CO 0.02 0.55 -0.04 0.42 0.00 0.00 0.00 175.10 176.05 1ejx s THR 1127N 0.28 1.79 0.80 3.92 -4.23 -0.26 -1.59 115.64 116.35 1ejx s THR 1127Ca -0.15 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.14 1ejx s THR 1127Cb -0.17 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.11 1ejx s THR 1127CO 0.07 -0.19 1.09 0.00 -0.54 0.00 0.00 174.62 175.05 1ejx s ALA 1128N -2.90 2.17 0.50 3.99 0.00 -1.26 -0.98 121.76 123.28 1ejx s ALA 1128Ca 0.32 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 1ejx s ALA 1128Cb 0.05 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1ejx s ALA 1128CO 0.14 -1.78 1.15 0.20 0.00 0.00 0.00 175.76 175.47 1ejx s GLY 1129N -3.75 2.71 0.70 0.00 0.00 -1.10 -4.54 107.32 101.34 1ejx s GLY 1129Ca 0.61 0.89 -0.12 0.00 0.00 0.00 0.00 44.72 46.10 1ejx s GLY 1129CO 0.55 1.29 1.07 -0.32 0.00 0.00 0.00 173.10 175.70 1ejx s GLY 1130N -1.55 1.78 -0.29 0.20 0.00 0.09 -4.66 107.32 102.89 1ejx s GLY 1130Ca 0.68 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 1ejx s GLY 1130CO 0.31 0.55 0.08 -0.42 0.00 0.00 0.00 173.10 173.62 1ejx s ILE 1131N -2.85 0.86 -0.30 0.90 -1.09 0.34 -0.58 121.20 118.48 1ejx s ILE 1131Ca 0.61 -1.26 -0.13 0.00 -2.23 0.00 0.00 60.65 57.63 1ejx s ILE 1131Cb -0.16 -1.58 -0.03 0.00 -1.58 0.00 0.00 42.46 39.11 1ejx s ILE 1131CO 0.51 -0.58 0.28 -0.62 -1.23 0.00 0.00 174.94 173.31 1ejx s ASP 1132N 1.64 6.12 -0.11 3.58 -1.08 -0.63 -4.70 116.67 121.49 1ejx s ASP 1132Ca 0.07 -0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.20 1ejx s ASP 1132Cb -0.17 -2.16 0.61 0.00 -1.46 0.00 0.00 42.92 39.73 1ejx s ASP 1132CO -0.22 -0.18 1.52 0.35 0.52 0.00 0.00 175.17 177.16 1ejx n THR 1133N 5.13 1.82 -3.20 1.71 -2.24 -1.26 -0.61 114.28 115.63 1ejx n THR 1133Ca -0.11 -1.32 -0.23 0.00 -2.27 0.00 0.00 64.05 60.12 1ejx n THR 1133Cb 0.51 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1ejx n THR 1133CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ejx n HIS 1134N 0.64 1.19 -3.74 4.78 -0.00 -1.17 -4.60 115.22 112.32 1ejx n HIS 1134Ca 0.22 -3.81 -0.36 0.00 -0.00 0.00 0.00 57.72 53.77 1ejx n HIS 1134Cb 0.82 -0.43 -0.07 0.00 -0.00 0.00 0.00 29.99 30.31 1ejx n HIS 1134CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1ejx s ILE 1135N -2.27 5.40 -0.31 3.57 -1.09 -0.66 -1.25 121.20 124.58 1ejx s ILE 1135Ca 0.39 0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 58.99 1ejx s ILE 1135Cb 0.24 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1ejx s ILE 1135CO -0.09 0.51 0.23 -1.00 -1.23 0.00 0.00 174.94 173.36 1ejx s HIS 1136N -0.24 3.22 -1.12 3.97 3.76 -1.26 -2.05 115.29 121.58 1ejx s HIS 1136Ca 0.13 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 1ejx s HIS 1136Cb -0.12 -2.45 -0.07 0.00 1.11 0.00 0.00 32.58 31.05 1ejx s HIS 1136CO 0.02 -0.27 2.30 0.91 -0.85 0.00 0.00 174.74 176.84 1ejx n TRP 1137N 5.11 1.95 0.03 1.40 7.02 -0.12 -4.53 117.44 128.29 1ejx n TRP 1137Ca -0.13 -2.32 -0.16 0.00 -1.02 0.00 0.00 57.50 53.87 1ejx n TRP 1137Cb 0.51 -1.97 -0.05 0.00 -2.42 0.00 0.00 31.31 27.37 1ejx n TRP 1137CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1ejx h ILE 1138N 3.58 1.32 -2.89 -0.99 2.04 -1.86 0.96 117.51 119.67 1ejx h ILE 1138Ca 0.58 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 1ejx h ILE 1138Cb 0.33 2.19 -0.17 0.00 -0.74 0.00 0.00 36.82 38.44 1ejx h ILE 1138CO 1.67 0.67 -0.07 0.00 0.00 0.00 0.00 178.15 180.42 1ejx h PRO 1140N 3.06 0.00 0.00 0.00 0.13 -1.98 -2.97 132.00 130.24 1ejx h PRO 1140Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1ejx h PRO 1140Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ejx h PRO 1140CO 0.42 0.00 -0.04 1.96 -0.23 0.00 0.00 178.00 180.11 1ejx h GLN 1141N 0.00 0.00 0.00 0.86 7.50 -2.02 -1.68 115.11 119.77 1ejx h GLN 1141Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1ejx h GLN 1141Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 1ejx h GLN 1141CO 0.00 0.04 -0.07 1.96 -1.50 0.00 0.00 178.83 179.26 1ejx h GLN 1142N 0.00 0.00 0.40 1.46 4.20 -1.94 -2.71 115.11 116.52 1ejx h GLN 1142Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1ejx h GLN 1142Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ejx h GLN 1142CO 0.01 0.07 -0.19 0.00 -0.67 0.00 0.00 178.83 178.04 1ejx h ALA 1143N 1.93 -0.53 -0.19 3.87 0.00 -1.54 -0.22 119.26 122.58 1ejx h ALA 1143Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ejx h ALA 1143Cb 0.19 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ejx h ALA 1143CO 0.01 -0.74 -0.35 1.49 0.00 0.00 0.00 179.25 179.66 1ejx h GLU 1144N -0.65 0.39 -0.12 0.00 4.81 -1.74 -0.32 114.58 116.95 1ejx h GLU 1144Ca -0.05 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1ejx h GLU 1144Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ejx h GLU 1144CO 0.09 0.69 0.08 1.49 -0.73 0.00 0.00 179.01 180.63 1ejx h GLU 1145N 0.34 0.16 -0.43 1.92 4.57 -1.28 0.10 114.58 119.96 1ejx h GLU 1145Ca 0.04 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 1ejx h GLU 1145Cb 0.77 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1ejx h GLU 1145CO 0.06 0.13 -0.19 0.00 -1.18 0.00 0.00 179.01 177.83 1ejx h ALA 1146N 1.02 0.86 -0.22 2.92 0.00 -0.80 -2.93 119.26 120.11 1ejx h ALA 1146Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ejx h ALA 1146Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ejx h ALA 1146CO -0.01 0.64 0.10 1.25 0.00 0.00 0.00 179.25 181.23 1ejx h LEU 1147N 0.73 0.30 -1.66 0.00 5.85 -0.68 -0.59 115.31 119.25 1ejx h LEU 1147Ca 0.11 -0.14 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1ejx h LEU 1147Cb 0.71 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1ejx h LEU 1147CO 0.05 0.35 0.52 0.58 -0.34 0.00 0.00 178.44 179.61 1ejx h VAL 1148N 0.22 0.74 0.00 1.05 2.07 -0.75 0.03 116.25 119.61 1ejx h VAL 1148Ca 0.08 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1ejx h VAL 1148Cb 0.14 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ejx h VAL 1148CO -0.01 0.06 0.00 -1.54 0.02 0.00 0.00 177.57 176.10 1ejx n SER 1149N -4.45 0.00 0.00 0.57 3.41 -0.68 -4.38 113.62 108.08 1ejx n SER 1149Ca 0.15 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1ejx n SER 1149Cb 0.61 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1ejx n SER 1149CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ejx n GLY 1150N 0.90 1.00 3.58 5.00 0.00 -0.00 -4.85 105.19 110.81 1ejx n GLY 1150Ca 0.08 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ejx n GLY 1150CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ejx s VAL 1151N -2.00 5.24 -0.49 1.61 1.01 -0.32 -0.73 120.40 124.72 1ejx s VAL 1151Ca 0.00 0.20 0.19 0.00 0.00 0.00 0.00 61.98 62.37 1ejx s VAL 1151Cb 0.00 -3.67 -0.24 0.00 0.00 0.00 0.00 36.38 32.47 1ejx s VAL 1151CO 0.00 0.11 0.62 0.35 0.00 0.00 0.00 175.10 176.18 1ejx n THR 1152N 5.12 0.00 -4.54 3.92 -2.24 0.25 -3.30 114.28 113.50 1ejx n THR 1152Ca -0.11 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 1ejx n THR 1152Cb 0.51 0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 1ejx n THR 1152CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ejx s THR 1153N -2.99 1.05 -0.13 4.28 2.01 -0.90 -0.22 115.64 118.73 1ejx s THR 1153Ca 0.01 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1ejx s THR 1153Cb 0.13 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1ejx s THR 1153CO 0.77 0.33 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.87 1ejx s MET 1154N 0.63 2.11 -0.07 4.92 -1.94 0.24 -1.61 119.30 123.58 1ejx s MET 1154Ca -0.13 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 1ejx s MET 1154Cb -0.15 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 1ejx s MET 1154CO 0.03 -0.22 -0.23 0.08 -0.01 0.00 0.00 175.02 174.67 1ejx s VAL 1155N 1.46 1.91 -1.52 -6.03 1.01 0.22 -2.20 120.40 115.25 1ejx s VAL 1155Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ejx s VAL 1155Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1ejx s VAL 1155CO -0.09 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1ejx n GLY 1156N 3.15 -0.86 3.30 4.51 0.00 -0.97 -1.66 105.19 112.67 1ejx n GLY 1156Ca -0.18 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1ejx n GLY 1156CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ejx s GLY 1157N 0.00 0.78 0.00 -0.02 0.00 -0.87 -0.75 107.32 106.46 1ejx s GLY 1157Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1ejx s GLY 1157CO 0.00 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1ejx n GLY 1158N -0.21 1.81 0.00 0.20 0.00 -0.95 -0.94 105.19 105.10 1ejx n GLY 1158Ca -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1ejx n GLY 1158CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ejx n THR 1159N -1.43 0.11 0.00 2.61 -2.24 -1.23 -4.51 114.28 107.59 1ejx n THR 1159Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ejx n THR 1159Cb 0.00 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1ejx n THR 1159CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ejx n GLY 1160N -0.05 0.54 2.52 3.38 0.00 0.33 -4.92 105.19 106.99 1ejx n GLY 1160Ca 0.00 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 1ejx n GLY 1160CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ejx n PRO 1161N 0.00 2.95 -4.31 1.61 -0.04 -0.82 -4.38 135.00 130.02 1ejx n PRO 1161Ca 0.00 -2.03 -0.27 0.00 -0.04 0.00 0.00 63.50 61.16 1ejx n PRO 1161Cb 0.00 -2.79 -0.10 0.00 -0.04 0.00 0.00 33.50 30.57 1ejx n PRO 1161CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ejx s ALA 1162N 2.90 2.88 0.24 0.55 0.00 -1.26 -4.98 121.76 122.09 1ejx s ALA 1162Ca 0.57 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1ejx s ALA 1162Cb 0.15 -0.67 0.44 0.00 0.00 0.00 0.00 23.12 23.04 1ejx s ALA 1162CO -0.04 0.46 1.69 0.00 0.00 0.00 0.00 175.76 177.87 1ejx h ALA 1163N 2.96 0.93 -0.64 0.00 0.00 -1.99 0.36 119.26 120.90 1ejx h ALA 1163Ca -0.47 0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1ejx h ALA 1163Cb 1.20 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1ejx h ALA 1163CO 0.53 -0.32 0.35 0.78 0.00 0.00 0.00 179.25 180.59 1ejx h GLY 1164N 0.29 0.92 1.35 0.00 0.00 -1.94 -2.37 103.07 101.32 1ejx h GLY 1164Ca 0.40 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 47.26 1ejx h GLY 1164CO -0.48 0.15 -0.85 -0.84 0.00 0.00 0.00 176.54 174.52 1ejx h THR 1165N 0.66 1.32 -0.99 4.70 2.02 -1.59 -0.46 112.91 118.58 1ejx h THR 1165Ca 0.28 -2.15 0.10 0.00 0.77 0.00 0.00 66.41 65.41 1ejx h THR 1165Cb 0.16 2.17 -0.08 0.00 -1.74 0.00 0.00 68.15 68.66 1ejx h THR 1165CO -0.17 0.66 0.62 0.45 0.37 0.00 0.00 175.52 177.45 1ejx h HIS 1166N 0.39 1.14 0.09 3.16 3.86 -0.74 -3.15 115.15 119.91 1ejx h HIS 1166Ca -0.07 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.87 1ejx h HIS 1166Cb 1.47 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 1ejx h HIS 1166CO 0.07 0.49 -1.62 0.00 0.86 0.00 0.00 177.93 177.74 1ejx h ALA 1167N 1.51 0.40 -2.96 2.45 0.00 -1.41 -3.43 119.26 115.83 1ejx h ALA 1167Ca 0.47 -1.22 -0.20 0.00 0.00 0.00 0.00 54.91 53.96 1ejx h ALA 1167Cb 0.38 0.38 -0.20 0.00 0.00 0.00 0.00 17.79 18.34 1ejx h ALA 1167CO -0.24 1.26 -0.71 0.95 0.00 0.00 0.00 179.25 180.52 1ejx s THR 1168N -2.61 0.27 -1.43 0.00 -4.23 -0.18 -5.02 115.64 102.44 1ejx s THR 1168Ca -0.10 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1ejx s THR 1168Cb 0.07 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.46 1ejx s THR 1168CO 0.83 -0.51 2.34 0.35 -0.54 0.00 0.00 174.62 177.09 1ejx n THR 1169N 1.40 4.19 -4.39 3.99 -2.24 -1.26 -4.15 114.28 111.82 1ejx n THR 1169Ca -0.23 -3.49 -0.22 0.00 -2.27 0.00 0.00 64.05 57.85 1ejx n THR 1169Cb 0.56 -2.46 -0.16 0.00 -2.10 0.00 0.00 70.33 66.17 1ejx n THR 1169CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ejx s THR 1171N 0.57 3.96 -0.15 0.00 2.01 -0.49 -2.24 115.64 119.30 1ejx s THR 1171Ca -0.10 -2.66 -0.29 0.00 0.31 0.00 0.00 61.69 58.94 1ejx s THR 1171Cb -0.13 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1ejx s THR 1171CO 0.02 -0.86 1.27 -2.84 -0.69 0.00 0.00 174.62 171.51 1ejx s PRO 1172N 0.26 4.24 0.00 4.92 0.02 -1.26 -3.99 135.00 139.19 1ejx s PRO 1172Ca 0.15 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1ejx s PRO 1172Cb -0.20 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.57 1ejx s PRO 1172CO -0.04 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1ejx n GLY 1173N 3.61 -0.70 0.36 0.52 0.00 -1.26 -4.21 105.19 103.51 1ejx n GLY 1173Ca 0.14 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.68 1ejx n GLY 1173CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ejx h PRO 1174N 0.00 0.62 -0.03 1.61 0.11 -1.91 0.09 132.00 132.49 1ejx h PRO 1174Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1ejx h PRO 1174Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1ejx h PRO 1174CO 0.00 0.41 -0.08 2.35 -0.21 0.00 0.00 178.00 180.48 1ejx h TRP 1175N 0.64 0.13 -0.22 0.65 7.01 -1.99 -0.38 115.95 121.79 1ejx h TRP 1175Ca 0.34 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.21 1ejx h TRP 1175Cb 0.46 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 1ejx h TRP 1175CO -0.00 0.69 -0.18 1.88 -2.79 0.00 0.00 178.44 178.04 1ejx h TYR 1176N -0.47 0.41 -0.22 2.65 -1.99 -1.70 -1.12 116.97 114.53 1ejx h TYR 1176Ca -0.00 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1ejx h TYR 1176Cb 0.69 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1ejx h TYR 1176CO 0.13 0.55 0.11 0.82 -0.00 0.00 0.00 178.16 179.77 1ejx h ILE 1177N 0.35 1.13 -0.39 -2.88 2.04 -0.88 -0.29 117.51 116.60 1ejx h ILE 1177Ca 0.06 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1ejx h ILE 1177Cb 0.53 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1ejx h ILE 1177CO 0.03 0.13 0.14 0.28 0.00 0.00 0.00 178.15 178.73 1ejx h SER 1178N 0.24 0.15 -0.55 1.72 0.02 -0.67 0.32 113.55 114.78 1ejx h SER 1178Ca 0.08 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1ejx h SER 1178Cb 0.10 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1ejx h SER 1178CO -0.01 0.12 0.16 0.03 -1.14 0.00 0.00 176.83 175.99 1ejx h ARG 1179N 0.30 0.92 -0.21 3.45 2.47 -0.74 -2.06 114.38 118.50 1ejx h ARG 1179Ca 0.18 -0.19 -0.16 0.00 -1.26 0.00 0.00 59.98 58.55 1ejx h ARG 1179Cb 0.15 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1ejx h ARG 1179CO -0.18 0.81 -0.53 0.52 0.56 0.00 0.00 179.97 181.15 1ejx h MET 1180N 0.88 0.60 -0.84 0.04 2.86 -0.68 -0.63 114.93 117.16 1ejx h MET 1180Ca 0.19 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1ejx h MET 1180Cb 0.30 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1ejx h MET 1180CO -0.00 0.98 0.40 -0.07 1.06 0.00 0.00 176.91 179.28 1ejx h LEU 1181N 0.47 1.10 -0.29 1.22 3.38 -0.62 -0.75 115.31 119.81 1ejx h LEU 1181Ca 0.01 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1ejx h LEU 1181Cb 1.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ejx h LEU 1181CO 0.10 0.92 -0.14 1.56 0.09 0.00 0.00 178.44 180.98 1ejx h GLN 1182N 1.20 0.61 -0.60 1.13 4.20 -1.15 -2.87 115.11 117.63 1ejx h GLN 1182Ca 0.29 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ejx h GLN 1182Cb 0.12 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1ejx h GLN 1182CO -0.04 0.84 0.36 0.00 -0.67 0.00 0.00 178.83 179.32 1ejx h ALA 1183N 0.75 1.50 -0.70 3.87 0.00 -1.00 -2.70 119.26 120.97 1ejx h ALA 1183Ca 0.07 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ejx h ALA 1183Cb 0.66 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ejx h ALA 1183CO 0.04 0.43 0.47 0.00 0.00 0.00 0.00 179.25 180.19 1ejx h ALA 1184N 1.57 1.92 -0.27 0.00 0.00 -0.90 -0.97 119.26 120.61 1ejx h ALA 1184Ca 0.22 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1ejx h ALA 1184Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ejx h ALA 1184CO -0.04 -0.07 0.28 -0.44 0.00 0.00 0.00 179.25 178.98 1ejx h ASP 1185N 0.55 0.00 1.17 0.00 3.45 -1.51 -0.54 116.42 119.54 1ejx h ASP 1185Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 1ejx h ASP 1185Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1ejx h ASP 1185CO -0.11 0.00 -0.11 -1.20 -1.57 0.00 0.00 179.24 176.25 1ejx n SER 1186N -3.84 0.50 -4.72 6.45 7.64 -0.37 -4.70 113.62 114.58 1ejx n SER 1186Ca 0.04 0.44 -0.35 0.00 1.01 0.00 0.00 58.87 60.00 1ejx n SER 1186Cb 0.43 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1ejx n SER 1186CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ejx s LEU 1187N -3.85 3.94 -0.01 -3.43 1.43 -0.21 -5.01 118.68 111.54 1ejx s LEU 1187Ca 0.11 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1ejx s LEU 1187Cb 0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1ejx s LEU 1187CO 0.60 0.29 1.91 -0.81 0.23 0.00 0.00 176.35 178.57 1ejx n PRO 1188N 2.74 1.02 -4.12 1.29 -0.04 -1.26 -4.78 135.00 129.85 1ejx n PRO 1188Ca -0.18 -0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.14 1ejx n PRO 1188Cb 0.53 -1.01 -0.10 0.00 -0.04 0.00 0.00 33.50 32.88 1ejx n PRO 1188CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ejx s VAL 1189N -0.05 0.57 0.38 0.52 -7.23 -1.26 -5.00 120.40 108.33 1ejx s VAL 1189Ca 0.01 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.32 1ejx s VAL 1189Cb 0.01 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1ejx s VAL 1189CO 0.00 -0.72 1.05 0.20 -0.31 0.00 0.00 175.10 175.32 1ejx s ASN 1190N -2.51 6.85 0.00 4.85 0.01 0.69 -4.69 114.94 120.14 1ejx s ASN 1190Ca 0.03 2.05 0.01 0.00 -0.71 0.00 0.00 52.86 54.24 1ejx s ASN 1190Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1ejx s ASN 1190CO -0.04 -0.43 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.47 1ejx s ILE 1191N -1.60 0.16 0.02 0.60 1.01 -0.73 -0.59 121.20 120.07 1ejx s ILE 1191Ca 0.56 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.01 1ejx s ILE 1191Cb -0.23 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1ejx s ILE 1191CO 0.29 -0.05 -0.15 -0.83 0.00 0.00 0.00 174.94 174.20 1ejx s GLY 1192N -0.31 0.78 -0.03 6.18 0.00 -0.94 -1.34 107.32 111.67 1ejx s GLY 1192Ca -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1ejx s GLY 1192CO -0.00 -0.73 0.11 1.08 0.00 0.00 0.00 173.10 173.56 1ejx s LEU 1193N -0.90 4.07 -0.20 0.66 1.43 -1.26 -2.29 118.68 120.19 1ejx s LEU 1193Ca 0.03 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1ejx s LEU 1193Cb -0.07 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1ejx s LEU 1193CO 0.01 0.30 0.05 -0.76 0.23 0.00 0.00 176.35 176.17 1ejx s LEU 1194N -1.63 3.60 0.83 1.79 1.43 0.07 -0.44 118.68 124.33 1ejx s LEU 1194Ca 0.22 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1ejx s LEU 1194Cb -0.12 -1.92 0.17 0.00 0.03 0.00 0.00 46.19 44.35 1ejx s LEU 1194CO 0.13 0.11 1.14 -0.83 0.23 0.00 0.00 176.35 177.13 1ejx s GLY 1195N 0.73 1.77 -0.33 -3.19 0.00 -0.69 -1.40 107.32 104.22 1ejx s GLY 1195Ca 0.02 -1.68 -0.23 0.00 0.00 0.00 0.00 44.72 42.83 1ejx s GLY 1195CO 0.02 -0.99 0.75 1.25 0.00 0.00 0.00 173.10 174.13 1ejx s LYS 1196N -5.45 3.88 0.14 2.90 2.20 -1.26 -4.52 119.74 117.64 1ejx s LYS 1196Ca 0.71 0.43 0.25 0.00 -0.36 0.00 0.00 55.97 57.00 1ejx s LYS 1196Cb -0.03 -3.76 0.57 0.00 -1.51 0.00 0.00 37.83 33.10 1ejx s LYS 1196CO 0.48 -0.71 1.53 0.41 -0.36 0.00 0.00 175.35 176.70 1ejx n GLY 1197N 4.36 -1.52 3.56 5.54 0.00 -1.26 -4.80 105.19 111.06 1ejx n GLY 1197Ca 0.02 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1ejx n GLY 1197CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ejx s ASN 1198N -4.22 6.07 -0.07 1.61 -0.87 -1.26 -4.49 114.94 111.72 1ejx s ASN 1198Ca 0.09 -0.93 -0.29 0.00 -1.57 0.00 0.00 52.86 50.15 1ejx s ASN 1198Cb 0.13 -2.56 0.11 0.00 -0.02 0.00 0.00 41.25 38.91 1ejx s ASN 1198CO 0.66 -1.89 0.89 0.54 -2.57 0.00 0.00 177.10 174.74 1ejx s VAL 1199N 6.44 0.00 -1.82 1.60 0.11 -1.26 -4.98 120.40 120.49 1ejx s VAL 1199Ca 0.50 0.00 0.16 0.00 -2.93 0.00 0.00 61.98 59.71 1ejx s VAL 1199Cb -0.04 -1.00 0.24 0.00 -1.53 0.00 0.00 36.38 34.05 1ejx s VAL 1199CO 0.00 0.00 1.14 -1.20 -3.33 0.00 0.00 175.10 171.71 1ejx n SER 1200N 0.29 2.71 -4.25 3.54 7.64 -1.26 -4.48 113.62 117.81 1ejx n SER 1200Ca -0.11 -1.79 -0.43 0.00 1.01 0.00 0.00 58.87 57.55 1ejx n SER 1200Cb 0.60 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1ejx n SER 1200CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ejx s GLN 1201N -1.24 2.76 0.66 1.43 2.00 -1.26 -4.95 119.66 119.05 1ejx s GLN 1201Ca 0.24 -1.87 0.29 0.00 -2.00 0.00 0.00 55.36 52.02 1ejx s GLN 1201Cb 0.15 -4.08 1.59 0.00 0.80 0.00 0.00 33.01 31.46 1ejx s GLN 1201CO 0.21 -1.25 1.89 -1.00 -0.50 0.00 0.00 175.29 174.65 1ejx h PRO 1202N 8.42 0.00 -0.13 1.67 0.13 -1.90 -2.53 132.00 137.67 1ejx h PRO 1202Ca -0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1ejx h PRO 1202Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ejx h PRO 1202CO 0.90 0.00 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.87 1ejx h ASP 1203N 0.00 0.27 0.78 1.44 3.32 -1.99 -1.55 116.42 118.69 1ejx h ASP 1203Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ejx h ASP 1203Cb 0.68 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ejx h ASP 1203CO 0.00 0.61 -0.02 0.00 -1.72 0.00 0.00 179.24 178.12 1ejx h ALA 1204N 1.40 1.01 0.11 3.45 0.00 -1.89 -1.31 119.26 122.04 1ejx h ALA 1204Ca 0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1ejx h ALA 1204Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ejx h ALA 1204CO 0.06 0.02 -1.69 -0.07 0.00 0.00 0.00 179.25 177.57 1ejx h LEU 1205N 0.00 0.37 -0.77 0.00 3.38 -1.54 -3.30 115.31 113.45 1ejx h LEU 1205Ca -0.00 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.15 1ejx h LEU 1205Cb 0.41 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1ejx h LEU 1205CO 0.00 1.73 0.49 0.03 0.09 0.00 0.00 178.44 180.78 1ejx h ARG 1206N -0.19 0.91 -0.98 1.13 3.08 -1.14 -0.25 114.38 116.93 1ejx h ARG 1206Ca -0.37 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.74 1ejx h ARG 1206Cb 1.86 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 31.62 1ejx h ARG 1206CO 0.05 0.60 0.61 0.93 -1.07 0.00 0.00 179.97 181.09 1ejx h GLU 1207N 0.94 0.96 -0.16 0.04 5.08 -1.39 0.13 114.58 120.17 1ejx h GLU 1207Ca 0.31 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1ejx h GLU 1207Cb 0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ejx h GLU 1207CO -0.12 0.64 -0.33 1.96 -1.00 0.00 0.00 179.01 180.15 1ejx h GLN 1208N 0.99 0.51 -0.35 2.33 4.20 -1.39 -1.29 115.11 120.11 1ejx h GLN 1208Ca 0.48 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1ejx h GLN 1208Cb 0.43 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1ejx h GLN 1208CO -0.25 0.94 0.18 0.28 -0.67 0.00 0.00 178.83 179.31 1ejx h VAL 1209N 0.15 0.99 0.00 -0.54 2.07 -0.58 -1.61 116.25 116.73 1ejx h VAL 1209Ca 0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1ejx h VAL 1209Cb 0.93 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1ejx h VAL 1209CO 0.07 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.55 1ejx h ALA 1210N 1.18 1.46 0.00 1.67 0.00 -0.74 -0.60 119.26 122.23 1ejx h ALA 1210Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ejx h ALA 1210Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ejx h ALA 1210CO -0.10 0.22 -0.30 0.00 0.00 0.00 0.00 179.25 179.07 1ejx h ALA 1211N 1.82 1.15 0.00 0.00 0.00 -0.26 -3.29 119.26 118.68 1ejx h ALA 1211Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ejx h ALA 1211Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ejx h ALA 1211CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1ejx n GLY 1212N -0.15 0.44 3.77 0.00 0.00 -0.23 -4.70 105.19 104.31 1ejx n GLY 1212Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1ejx n GLY 1212CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ejx s VAL 1213N -0.11 2.64 -2.97 1.61 -7.23 -1.16 -3.48 120.40 109.70 1ejx s VAL 1213Ca 0.00 0.58 0.24 0.00 -1.81 0.00 0.00 61.98 60.99 1ejx s VAL 1213Cb 0.00 -3.34 0.21 0.00 0.56 0.00 0.00 36.38 33.81 1ejx s VAL 1213CO 0.00 0.08 1.28 2.30 -0.31 0.00 0.00 175.10 178.45 1ejx n ILE 1214N 0.14 0.01 -3.82 -0.62 -5.35 0.42 -3.77 119.36 106.37 1ejx n ILE 1214Ca 0.04 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 61.97 1ejx n ILE 1214Cb 0.44 1.46 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 1ejx n ILE 1214CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ejx s GLY 1215N -1.99 0.02 0.00 3.28 0.00 -1.19 -2.61 107.32 104.82 1ejx s GLY 1215Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1ejx s GLY 1215CO 0.30 0.61 0.00 1.04 0.00 0.00 0.00 173.10 175.05 1ejx n LEU 1216N -0.55 0.00 -3.41 0.66 4.77 0.14 -1.71 117.00 116.90 1ejx n LEU 1216Ca -0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.94 1ejx n LEU 1216Cb 0.60 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1ejx n LEU 1216CO 0.19 0.00 0.48 -0.63 -1.33 0.00 0.00 177.39 176.09 1ejx s ILE 1218N 0.30 -0.66 -0.04 -0.08 -1.09 0.95 -1.10 121.20 119.48 1ejx s ILE 1218Ca 0.00 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 1ejx s ILE 1218Cb 0.00 -1.00 -0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1ejx s ILE 1218CO 0.00 0.00 -0.14 -2.28 -1.23 0.00 0.00 174.94 171.29 1ejx s HIS 1219N 2.66 1.45 0.59 3.97 2.46 -1.26 -0.17 115.29 124.98 1ejx s HIS 1219Ca -0.01 -0.40 0.29 0.00 0.47 0.00 0.00 55.06 55.41 1ejx s HIS 1219Cb -0.09 -0.99 1.77 0.00 -0.13 0.00 0.00 32.58 33.15 1ejx s HIS 1219CO -0.18 -0.14 2.23 1.05 -2.47 0.00 0.00 174.74 175.23 1ejx h GLU 1220N 6.30 0.00 0.00 2.88 4.11 -1.57 -1.61 114.58 124.69 1ejx h GLU 1220Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1ejx h GLU 1220Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ejx h GLU 1220CO 0.48 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 179.12 1ejx h ASP 1221N 0.00 0.00 -0.29 3.06 5.19 -1.94 -0.76 116.42 121.69 1ejx h ASP 1221Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ejx h ASP 1221Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1ejx h ASP 1221CO -0.00 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 176.91 1ejx n TRP 1222N -2.64 0.37 -0.68 4.55 7.02 -0.62 -5.02 117.44 120.42 1ejx n TRP 1222Ca -0.00 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.23 1ejx n TRP 1222Cb 0.16 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1ejx n TRP 1222CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ejx n GLY 1223N 1.07 -1.39 2.67 6.99 0.00 -0.29 -4.87 105.19 109.38 1ejx n GLY 1223Ca 0.15 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1ejx n GLY 1223CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx n ALA 1224N 0.07 6.08 -2.38 4.61 0.00 -1.24 -4.78 120.51 122.87 1ejx n ALA 1224Ca 0.00 -4.20 -0.27 0.00 0.00 0.00 0.00 53.44 48.97 1ejx n ALA 1224Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 19.45 16.55 1ejx n ALA 1224CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ejx s THR 1225N -0.33 4.95 0.27 0.00 -4.23 -1.26 -4.34 115.64 110.70 1ejx s THR 1225Ca 0.47 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1ejx s THR 1225Cb 0.14 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1ejx s THR 1225CO -0.04 -0.67 1.76 -0.65 -0.54 0.00 0.00 174.62 174.49 1ejx h PRO 1226N 0.68 0.63 -0.21 3.99 0.11 -1.92 -0.16 132.00 135.12 1ejx h PRO 1226Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1ejx h PRO 1226Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ejx h PRO 1226CO 0.62 0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.82 1ejx h ALA 1227N 1.58 0.29 -0.32 -0.75 0.00 -1.97 -0.08 119.26 118.01 1ejx h ALA 1227Ca 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ejx h ALA 1227Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ejx h ALA 1227CO -0.37 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.06 1ejx h ALA 1228N 0.78 0.41 -0.51 0.00 0.00 -1.60 -0.83 119.26 117.51 1ejx h ALA 1228Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ejx h ALA 1228Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ejx h ALA 1228CO 0.01 -0.02 0.29 0.82 0.00 0.00 0.00 179.25 180.35 1ejx h ILE 1229N 0.38 1.17 -0.70 0.00 2.04 -1.06 -1.39 117.51 117.95 1ejx h ILE 1229Ca 0.11 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1ejx h ILE 1229Cb 0.13 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1ejx h ILE 1229CO -0.01 0.18 0.34 -0.78 0.00 0.00 0.00 178.15 177.87 1ejx h ASP 1230N 0.68 0.92 -0.49 1.72 1.82 -0.80 -0.35 116.42 119.93 1ejx h ASP 1230Ca 0.18 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1ejx h ASP 1230Cb 0.03 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 1ejx h ASP 1230CO -0.03 0.80 0.15 0.00 -1.61 0.00 0.00 179.24 178.55 1ejx h ALA 1232N 1.01 0.69 -0.48 0.00 0.00 -1.08 -1.55 119.26 117.85 1ejx h ALA 1232Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ejx h ALA 1232Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ejx h ALA 1232CO -0.00 0.54 0.20 -0.07 0.00 0.00 0.00 179.25 179.91 1ejx h LEU 1233N 0.79 0.61 -0.48 0.00 4.07 -0.84 -0.18 115.31 119.29 1ejx h LEU 1233Ca 0.14 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1ejx h LEU 1233Cb 0.58 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1ejx h LEU 1233CO 0.03 0.55 0.12 0.74 -1.08 0.00 0.00 178.44 178.81 1ejx h THR 1234N 0.68 1.23 -0.33 0.22 2.02 -1.06 0.84 112.91 116.51 1ejx h THR 1234Ca 0.17 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 1ejx h THR 1234Cb 0.13 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ejx h THR 1234CO -0.02 0.29 -0.12 0.58 0.37 0.00 0.00 175.52 176.63 1ejx h VAL 1235N 0.64 1.28 -0.64 3.16 2.07 -0.92 -2.32 116.25 119.52 1ejx h VAL 1235Ca 0.15 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1ejx h VAL 1235Cb 0.31 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1ejx h VAL 1235CO 0.00 0.39 0.36 0.00 0.02 0.00 0.00 177.57 178.35 1ejx h ALA 1236N 0.79 0.84 -0.37 1.67 0.00 -0.88 0.18 119.26 121.50 1ejx h ALA 1236Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ejx h ALA 1236Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ejx h ALA 1236CO 0.04 0.06 0.00 -0.44 0.00 0.00 0.00 179.25 178.91 1ejx h ASP 1237N 0.69 0.55 -0.14 0.00 3.32 -0.73 0.14 116.42 120.25 1ejx h ASP 1237Ca 0.28 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1ejx h ASP 1237Cb 0.13 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ejx h ASP 1237CO -0.15 0.62 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.78 1ejx h GLU 1238N 0.56 0.33 -0.54 3.56 4.81 -0.89 -3.35 114.58 119.06 1ejx h GLU 1238Ca 0.12 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ejx h GLU 1238Cb 0.36 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ejx h GLU 1238CO 0.01 0.72 0.00 -1.33 -0.73 0.00 0.00 179.01 177.68 1ejx n MET 1239N -4.58 2.59 -3.60 1.92 2.81 0.59 -5.00 117.12 111.86 1ejx n MET 1239Ca -0.06 -2.41 -0.28 0.00 -1.81 0.00 0.00 57.70 53.13 1ejx n MET 1239Cb 0.35 -1.51 0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1ejx n MET 1239CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ejx n ASP 1240N 1.45 -5.57 -4.20 7.83 2.03 0.02 -4.59 116.55 113.51 1ejx n ASP 1240Ca 0.21 -0.96 -0.12 0.00 0.52 0.00 0.00 54.79 54.44 1ejx n ASP 1240Cb 0.59 -3.74 -0.10 0.00 -0.72 0.00 0.00 41.12 37.15 1ejx n ASP 1240CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ejx s ILE 1241N -3.45 0.79 0.24 5.18 -5.25 -1.16 -4.53 121.20 113.02 1ejx s ILE 1241Ca 0.47 -1.97 0.01 0.00 -0.99 0.00 0.00 60.65 58.17 1ejx s ILE 1241Cb -0.15 -1.82 -0.04 0.00 2.95 0.00 0.00 42.46 43.40 1ejx s ILE 1241CO 0.84 -0.75 0.41 -1.58 -1.79 0.00 0.00 174.94 172.07 1ejx s GLN 1242N -3.84 3.49 -0.11 0.37 2.00 -1.07 -4.68 119.66 115.81 1ejx s GLN 1242Ca 0.16 -0.46 0.02 0.00 -2.00 0.00 0.00 55.36 53.07 1ejx s GLN 1242Cb 0.05 -2.82 -0.01 0.00 0.80 0.00 0.00 33.01 31.03 1ejx s GLN 1242CO -0.02 0.36 -0.17 0.08 -0.50 0.00 0.00 175.29 175.04 1ejx s VAL 1243N -1.99 2.71 -0.06 1.34 1.01 -1.26 0.28 120.40 122.43 1ejx s VAL 1243Ca 0.37 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1ejx s VAL 1243Cb -0.10 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ejx s VAL 1243CO 0.31 0.54 -0.14 0.00 0.00 0.00 0.00 175.10 175.81 1ejx s ALA 1244N 0.28 2.67 -0.10 5.51 0.00 -0.26 -0.51 121.76 129.34 1ejx s ALA 1244Ca -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1ejx s ALA 1244Cb -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1ejx s ALA 1244CO 0.06 0.51 -0.23 -1.17 0.00 0.00 0.00 175.76 174.94 1ejx s LEU 1245N -0.58 2.06 -0.32 0.00 2.96 0.11 -0.04 118.68 122.87 1ejx s LEU 1245Ca 0.08 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1ejx s LEU 1245Cb -0.11 -1.37 0.09 0.00 0.50 0.00 0.00 46.19 45.29 1ejx s LEU 1245CO 0.01 0.14 0.01 -2.28 -1.32 0.00 0.00 176.35 172.92 1ejx s HIS 1246N 0.43 3.51 0.91 5.38 5.65 0.76 -1.66 115.29 130.27 1ejx s HIS 1246Ca -0.17 -2.75 -0.14 0.00 0.25 0.00 0.00 55.06 52.25 1ejx s HIS 1246Cb -0.18 -2.60 0.15 0.00 -1.18 0.00 0.00 32.58 28.77 1ejx s HIS 1246CO 0.07 -0.92 1.19 -1.54 -0.65 0.00 0.00 174.74 172.89 1ejx s SER 1247N 1.00 3.52 -1.03 9.88 1.04 -1.26 -1.75 113.70 125.10 1ejx s SER 1247Ca 0.06 0.73 -0.23 0.00 0.48 0.00 0.00 55.95 56.98 1ejx s SER 1247Cb -0.19 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 1ejx s SER 1247CO -0.08 -2.52 1.86 -0.62 0.98 0.00 0.00 173.24 172.86 1ejx s ASP 1248N -4.38 5.41 0.34 7.02 2.15 -1.26 -3.62 116.67 122.32 1ejx s ASP 1248Ca 0.66 -1.19 0.06 0.00 0.43 0.00 0.00 52.55 52.51 1ejx s ASP 1248Cb -0.11 -2.57 0.73 0.00 -0.30 0.00 0.00 42.92 40.68 1ejx s ASP 1248CO 0.52 -2.57 1.87 0.74 -0.17 0.00 0.00 175.17 175.56 1ejx h THR 1249N 6.76 0.88 0.00 1.71 2.02 -1.92 -1.57 112.91 120.80 1ejx h THR 1249Ca 0.17 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ejx h THR 1249Cb 0.98 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ejx h THR 1249CO 1.26 0.14 0.00 0.18 0.37 0.00 0.00 175.52 177.47 1ejx n LEU 1250N -4.57 0.00 -2.49 2.58 4.77 -1.26 -2.28 117.00 113.76 1ejx n LEU 1250Ca 0.17 0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 56.47 1ejx n LEU 1250Cb 0.41 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1ejx n LEU 1250CO 0.29 -0.26 -0.19 0.59 -1.33 0.00 0.00 177.39 176.49 1ejx n ASN 1251N -1.49 -4.96 -0.03 -1.43 3.02 -0.59 -4.90 115.26 104.88 1ejx n ASN 1251Ca 0.03 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1ejx n ASN 1251Cb 0.16 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.13 1ejx n ASN 1251CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ejx h GLU 1252N -0.12 0.20 -0.00 3.52 4.81 -1.89 -3.25 114.58 117.85 1ejx h GLU 1252Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ejx h GLU 1252Cb 1.30 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ejx h GLU 1252CO 0.48 0.25 -0.62 -1.13 -0.73 0.00 0.00 179.01 177.25 1ejx n SER 1253N -4.92 0.87 0.00 1.04 3.41 -1.26 -5.07 113.62 107.69 1ejx n SER 1253Ca -0.05 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1ejx n SER 1253Cb 0.09 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1ejx n SER 1253CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ejx n GLY 1254N 1.47 -1.66 4.03 5.00 0.00 -1.23 -4.87 105.19 107.93 1ejx n GLY 1254Ca 0.06 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 1ejx n GLY 1254CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ejx s PHE 1255N -2.25 1.47 0.47 1.61 2.99 -1.26 -4.36 117.98 116.64 1ejx s PHE 1255Ca 0.00 -0.71 0.20 0.00 0.00 0.00 0.00 56.93 56.41 1ejx s PHE 1255Cb 0.00 -2.21 1.19 0.00 0.00 0.00 0.00 43.02 42.00 1ejx s PHE 1255CO 0.00 -1.11 1.95 -0.24 -0.00 0.00 0.00 175.22 175.82 1ejx h VAL 1256N 0.21 0.77 -0.10 -0.44 3.04 -1.93 -0.13 116.25 117.66 1ejx h VAL 1256Ca -0.30 -0.08 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 1ejx h VAL 1256Cb 1.29 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1ejx h VAL 1256CO 0.41 0.05 -0.24 1.05 -1.01 0.00 0.00 177.57 177.83 1ejx h GLU 1257N 0.25 0.18 -0.37 4.17 9.09 -1.97 -0.97 114.58 124.95 1ejx h GLU 1257Ca 0.33 -0.05 -0.15 0.00 0.05 0.00 0.00 59.36 59.53 1ejx h GLU 1257Cb 0.93 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 1ejx h GLU 1257CO -0.07 0.41 -0.36 -0.44 0.05 0.00 0.00 179.01 178.60 1ejx h ASP 1258N 0.16 0.96 -0.73 3.06 3.32 -1.38 0.34 116.42 122.16 1ejx h ASP 1258Ca 0.03 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 1ejx h ASP 1258Cb 0.52 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1ejx h ASP 1258CO 0.04 1.23 0.23 0.74 -1.72 0.00 0.00 179.24 179.75 1ejx h THR 1259N 0.71 1.26 -0.84 0.35 2.02 -1.13 0.11 112.91 115.39 1ejx h THR 1259Ca 0.06 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1ejx h THR 1259Cb 0.96 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1ejx h THR 1259CO 0.09 0.35 0.41 -0.07 0.37 0.00 0.00 175.52 176.68 1ejx h LEU 1260N 1.08 1.09 -0.52 2.58 3.38 -0.99 -1.05 115.31 120.89 1ejx h LEU 1260Ca 0.24 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1ejx h LEU 1260Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ejx h LEU 1260CO -0.01 0.92 -0.13 0.00 0.09 0.00 0.00 178.44 179.31 1ejx h ALA 1261N 1.22 0.71 -0.68 1.53 0.00 0.52 -2.69 119.26 119.87 1ejx h ALA 1261Ca 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ejx h ALA 1261Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ejx h ALA 1261CO -0.04 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.19 1ejx h ALA 1262N 0.90 1.30 -0.07 0.00 0.00 -0.28 -2.27 119.26 118.85 1ejx h ALA 1262Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ejx h ALA 1262Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ejx h ALA 1262CO 0.05 0.55 -0.15 0.82 0.00 0.00 0.00 179.25 180.52 1ejx h ILE 1263N 0.96 1.14 -6.22 0.00 2.04 -1.09 -3.42 117.51 110.93 1ejx h ILE 1263Ca 0.24 -0.65 -0.44 0.00 1.00 0.00 0.00 64.86 65.00 1ejx h ILE 1263Cb 0.09 1.26 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ejx h ILE 1263CO -0.03 0.20 -0.85 0.61 0.00 0.00 0.00 178.15 178.07 1ejx n GLY 1264N -0.99 -0.27 3.21 5.37 0.00 -0.86 -0.65 105.19 111.01 1ejx n GLY 1264Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ejx n GLY 1264CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1265N -1.71 0.50 3.81 -0.02 0.00 -1.26 -5.01 105.19 101.51 1ejx n GLY 1265Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1ejx n GLY 1265CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ejx s ARG 1266N -0.53 3.87 0.25 1.61 0.52 0.18 -4.75 118.95 120.10 1ejx s ARG 1266Ca 0.00 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.09 1ejx s ARG 1266Cb 0.00 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 1ejx s ARG 1266CO 0.00 -0.35 1.47 0.99 0.02 0.00 0.00 175.30 177.43 1ejx s THR 1267N -2.26 2.57 -0.02 0.02 2.01 -1.26 -4.78 115.64 111.92 1ejx s THR 1267Ca 0.63 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 1ejx s THR 1267Cb -0.13 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.14 1ejx s THR 1267CO 0.23 0.07 0.58 -0.51 -0.69 0.00 0.00 174.62 174.30 1ejx s ILE 1268N 0.06 0.02 -0.26 1.82 2.07 -0.78 -4.60 121.20 119.53 1ejx s ILE 1268Ca 0.60 -0.14 -0.06 0.00 -1.41 0.00 0.00 60.65 59.64 1ejx s ILE 1268Cb -0.43 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.23 1ejx s ILE 1268CO 0.43 -0.07 0.05 -2.28 -1.91 0.00 0.00 174.94 171.16 1ejx s HIS 1269N -1.52 3.07 -0.31 3.50 5.65 0.33 -1.53 115.29 124.49 1ejx s HIS 1269Ca -0.10 -0.68 -0.15 0.00 0.25 0.00 0.00 55.06 54.38 1ejx s HIS 1269Cb -0.01 -2.22 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 1ejx s HIS 1269CO 0.06 -0.46 0.39 0.95 -0.65 0.00 0.00 174.74 175.03 1ejx s THR 1270N 1.56 5.15 0.61 0.89 -4.23 -0.84 0.05 115.64 118.82 1ejx s THR 1270Ca 0.05 0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 1ejx s THR 1270Cb -0.15 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1ejx s THR 1270CO 0.02 0.01 1.04 -0.36 -0.54 0.00 0.00 174.62 174.78 1ejx s PHE 1271N 2.10 3.28 -0.78 3.99 0.08 -0.66 -1.47 117.98 124.53 1ejx s PHE 1271Ca 0.14 1.42 -0.10 0.00 0.12 0.00 0.00 56.93 58.51 1ejx s PHE 1271Cb -0.16 -2.85 0.01 0.00 -0.57 0.00 0.00 43.02 39.45 1ejx s PHE 1271CO 0.11 -0.88 0.20 -2.39 -0.10 0.00 0.00 175.22 172.16 1ejx n HIS 1272N -2.42 -0.74 0.21 0.36 1.44 -1.08 -4.78 115.22 108.22 1ejx n HIS 1272Ca 0.07 0.18 0.18 0.00 -2.01 0.00 0.00 57.72 56.13 1ejx n HIS 1272Cb 0.54 -1.56 0.84 0.00 0.12 0.00 0.00 29.99 29.93 1ejx n HIS 1272CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1ejx h THR 1273N -0.35 0.41 0.00 0.61 2.02 -1.25 0.88 112.91 115.22 1ejx h THR 1273Ca -0.39 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1ejx h THR 1273Cb 0.79 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1ejx h THR 1273CO 0.34 0.00 -0.40 -0.08 0.37 0.00 0.00 175.52 175.76 1ejx h GLU 1274N 0.00 0.00 0.00 6.66 4.22 -1.86 -2.61 114.58 120.99 1ejx h GLU 1274Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1ejx h GLU 1274Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ejx h GLU 1274CO -0.00 0.40 0.00 0.41 -2.18 0.00 0.00 179.01 177.64 1ejx n GLY 1275N -0.10 2.59 0.36 1.92 0.00 0.30 -4.40 105.19 105.85 1ejx n GLY 1275Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1ejx n GLY 1275CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx h ALA 1276N 0.00 1.47 0.00 4.61 0.00 -1.81 -1.46 119.26 122.08 1ejx h ALA 1276Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ejx h ALA 1276Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ejx h ALA 1276CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1ejx n GLY 1277N -1.41 -1.00 0.00 0.00 0.00 -1.26 -4.86 105.19 96.66 1ejx n GLY 1277Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ejx n GLY 1277CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1278N 0.50 4.41 0.00 -0.02 0.00 -0.55 -5.00 105.19 104.54 1ejx n GLY 1278Ca 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1ejx n GLY 1278CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1279N -1.60 4.37 1.79 -0.02 0.00 -1.24 -4.42 105.19 104.07 1ejx n GLY 1279Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1ejx n GLY 1279CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ejx n HIS 1280N -1.88 0.75 -2.97 1.61 8.25 -1.23 -4.02 115.22 115.74 1ejx n HIS 1280Ca 0.00 0.49 -0.40 0.00 -0.26 0.00 0.00 57.72 57.55 1ejx n HIS 1280Cb 0.00 -1.15 -0.04 0.00 1.12 0.00 0.00 29.99 29.92 1ejx n HIS 1280CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ejx s ALA 1281N 2.26 3.38 -1.07 -1.41 0.00 -0.96 -1.82 121.76 122.13 1ejx s ALA 1281Ca 0.57 0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.77 1ejx s ALA 1281Cb -0.76 -3.07 0.29 0.00 0.00 0.00 0.00 23.12 19.57 1ejx s ALA 1281CO 0.38 -0.29 1.21 -0.35 0.00 0.00 0.00 175.76 176.71 1ejx n PRO 1282N 4.25 2.50 -0.44 0.00 -0.04 -1.26 -4.95 135.00 135.06 1ejx n PRO 1282Ca 0.01 -1.94 0.08 0.00 -0.04 0.00 0.00 63.50 61.61 1ejx n PRO 1282Cb 0.51 -1.28 0.28 0.00 -0.04 0.00 0.00 33.50 32.97 1ejx n PRO 1282CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ejx n ASP 1283N 0.59 4.04 -0.18 3.54 5.75 -1.07 -4.59 116.55 124.62 1ejx n ASP 1283Ca 0.11 -2.40 0.17 0.00 -0.01 0.00 0.00 54.79 52.67 1ejx n ASP 1283Cb 0.41 -0.47 0.53 0.00 -1.03 0.00 0.00 41.12 40.56 1ejx n ASP 1283CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ejx h ILE 1284N 3.11 0.75 -1.09 2.12 6.09 -1.64 -1.54 117.51 125.29 1ejx h ILE 1284Ca 0.00 -0.13 0.32 0.00 -1.37 0.00 0.00 64.86 63.68 1ejx h ILE 1284Cb 1.22 0.34 -0.04 0.00 0.47 0.00 0.00 36.82 38.81 1ejx h ILE 1284CO 0.15 0.07 0.80 -0.29 -3.07 0.00 0.00 178.15 175.81 1ejx h ILE 1285N 0.37 0.43 0.00 2.19 2.10 -1.67 -0.89 117.51 120.03 1ejx h ILE 1285Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.33 1ejx h ILE 1285Cb 0.99 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1ejx h ILE 1285CO -0.12 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.30 1ejx n THR 1286N -4.16 1.55 0.27 2.19 -2.24 -0.58 -2.31 114.28 109.00 1ejx n THR 1286Ca 0.23 0.44 0.10 0.00 -2.27 0.00 0.00 64.05 62.55 1ejx n THR 1286Cb 1.17 -1.36 0.72 0.00 -2.10 0.00 0.00 70.33 68.76 1ejx n THR 1286CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ejx h ALA 1287N 2.16 1.77 0.00 6.98 0.00 -1.37 -2.79 119.26 126.00 1ejx h ALA 1287Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ejx h ALA 1287Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ejx h ALA 1287CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ejx h ALA 1289N 2.67 0.82 -2.71 0.00 0.00 -1.68 -3.38 119.26 114.98 1ejx h ALA 1289Ca 0.00 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 1ejx h ALA 1289Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ejx h ALA 1289CO 0.00 0.13 0.02 -1.01 0.00 0.00 0.00 179.25 178.39 1ejx s HIS 1290N -3.20 3.81 0.22 0.00 3.76 -0.71 -4.62 115.29 114.55 1ejx s HIS 1290Ca 0.04 1.35 0.31 0.00 -0.15 0.00 0.00 55.06 56.61 1ejx s HIS 1290Cb 0.07 -2.58 1.36 0.00 1.11 0.00 0.00 32.58 32.54 1ejx s HIS 1290CO 0.72 0.53 1.99 -1.00 -0.85 0.00 0.00 174.74 176.13 1ejx h PRO 1291N 4.69 0.00 -0.37 8.40 0.13 -1.91 -2.68 132.00 140.26 1ejx h PRO 1291Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ejx h PRO 1291Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ejx h PRO 1291CO 0.65 0.08 0.00 0.27 -0.23 0.00 0.00 178.00 178.77 1ejx n ASN 1292N -3.26 3.24 -4.61 1.44 6.94 -1.26 -0.65 115.26 117.10 1ejx n ASN 1292Ca -0.00 -1.96 -0.35 0.00 -0.02 0.00 0.00 54.58 52.24 1ejx n ASN 1292Cb 0.31 -0.24 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 1ejx n ASN 1292CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ejx s ILE 1293N -1.52 4.88 -0.45 1.53 1.01 -1.01 -1.87 121.20 123.77 1ejx s ILE 1293Ca 0.38 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 1ejx s ILE 1293Cb 0.22 -3.24 0.09 0.00 0.01 0.00 0.00 42.46 39.54 1ejx s ILE 1293CO 0.31 0.40 0.32 -0.76 0.00 0.00 0.00 174.94 175.21 1ejx s LEU 1294N 0.79 5.42 -0.11 2.97 2.01 -0.58 -4.21 118.68 124.97 1ejx s LEU 1294Ca 0.05 -1.56 -0.13 0.00 0.01 0.00 0.00 54.13 52.50 1ejx s LEU 1294Cb -0.13 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 43.97 1ejx s LEU 1294CO 0.02 -0.61 0.30 -2.16 1.01 0.00 0.00 176.35 174.91 1ejx s PRO 1295N 1.47 4.04 0.32 1.29 0.05 -1.26 -1.99 135.00 138.93 1ejx s PRO 1295Ca 0.04 0.14 0.09 0.00 0.05 0.00 0.00 61.00 61.32 1ejx s PRO 1295Cb -0.24 -3.34 -0.06 0.00 0.05 0.00 0.00 34.50 30.91 1ejx s PRO 1295CO 0.03 0.44 -0.10 -1.54 0.05 0.00 0.00 177.00 175.87 1ejx s SER 1296N -0.16 3.52 0.17 6.66 1.04 -0.54 -1.55 113.70 122.84 1ejx s SER 1296Ca 0.18 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.51 1ejx s SER 1296Cb -0.14 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 1ejx s SER 1296CO 0.06 -0.20 0.02 -0.44 0.98 0.00 0.00 173.24 173.67 1ejx s SER 1297N -3.56 4.89 0.53 7.02 0.01 -0.77 -1.02 113.70 120.80 1ejx s SER 1297Ca 0.31 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1ejx s SER 1297Cb 0.02 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.19 1ejx s SER 1297CO 0.15 0.09 0.74 0.42 0.41 0.00 0.00 173.24 175.05 1ejx s THR 1298N -1.72 2.74 -0.43 1.44 -4.23 -1.26 -1.68 115.64 110.50 1ejx s THR 1298Ca 0.28 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.31 1ejx s THR 1298Cb -0.09 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1ejx s THR 1298CO 0.19 -0.00 1.18 -0.55 -0.54 0.00 0.00 174.62 174.89 1ejx h ASN 1299N 0.16 0.00 0.51 3.99 7.08 -1.21 -3.38 115.58 122.73 1ejx h ASN 1299Ca -0.42 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 52.69 1ejx h ASN 1299Cb 1.29 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 1ejx h ASN 1299CO 0.51 0.05 0.00 1.55 -2.08 0.00 0.00 177.43 177.46 1ejx h PRO 1300N 0.00 0.00 -0.69 4.14 0.13 -1.81 -1.52 132.00 132.25 1ejx h PRO 1300Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ejx h PRO 1300Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ejx h PRO 1300CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1ejx n THR 1301N -2.62 0.97 -3.76 1.56 -2.24 -1.26 -4.82 114.28 102.12 1ejx n THR 1301Ca -0.00 -0.94 -0.37 0.00 -2.27 0.00 0.00 64.05 60.47 1ejx n THR 1301Cb 0.18 0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.72 1ejx n THR 1301CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ejx s LEU 1302N -1.04 3.71 0.00 3.22 1.43 -0.57 -3.39 118.68 122.04 1ejx s LEU 1302Ca 0.47 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1ejx s LEU 1302Cb 0.25 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.66 1ejx s LEU 1302CO 0.31 -0.15 0.65 -0.81 0.23 0.00 0.00 176.35 176.59 1ejx n PRO 1303N 4.88 0.42 -2.41 1.29 -0.04 -1.26 -4.80 135.00 133.09 1ejx n PRO 1303Ca -0.15 -2.14 -0.42 0.00 -0.04 0.00 0.00 63.50 60.75 1ejx n PRO 1303Cb 0.49 -0.32 -0.03 0.00 -0.04 0.00 0.00 33.50 33.60 1ejx n PRO 1303CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ejx s TYR 1304N -1.88 3.15 0.34 0.54 5.04 -1.22 -4.98 117.35 118.35 1ejx s TYR 1304Ca 0.46 1.15 0.04 0.00 -2.44 0.00 0.00 57.07 56.27 1ejx s TYR 1304Cb -0.03 -3.47 -0.04 0.00 0.35 0.00 0.00 41.96 38.77 1ejx s TYR 1304CO 0.30 -1.54 0.15 0.95 -1.34 0.00 0.00 175.55 174.07 1ejx s THR 1305N 2.10 0.47 0.41 4.34 -4.23 -1.26 -0.86 115.64 116.60 1ejx s THR 1305Ca 0.58 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 1ejx s THR 1305Cb -0.27 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.38 1ejx s THR 1305CO 0.24 0.00 2.01 -0.07 -0.54 0.00 0.00 174.62 176.26 1ejx h LEU 1306N 2.07 0.48 -0.26 4.79 3.38 -0.50 -2.35 115.31 122.92 1ejx h LEU 1306Ca -0.34 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ejx h LEU 1306Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ejx h LEU 1306CO 0.54 0.32 -0.39 0.59 0.09 0.00 0.00 178.44 179.59 1ejx n ASN 1307N -4.47 0.79 0.04 -0.43 3.02 -1.26 -4.60 115.26 108.35 1ejx n ASN 1307Ca 0.07 -0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 53.87 1ejx n ASN 1307Cb 0.20 0.21 -0.09 0.00 -0.61 0.00 0.00 39.78 39.50 1ejx n ASN 1307CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ejx h THR 1308N 0.64 0.06 -0.07 3.41 2.02 -1.81 -1.00 112.91 116.16 1ejx h THR 1308Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ejx h THR 1308Cb 0.51 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ejx h THR 1308CO 0.00 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.31 1ejx h ILE 1309N -0.61 1.19 -0.49 3.11 1.08 -1.81 -1.29 117.51 118.69 1ejx h ILE 1309Ca 0.03 -0.59 0.10 0.00 -0.39 0.00 0.00 64.86 64.01 1ejx h ILE 1309Cb 0.69 1.45 -0.08 0.00 -3.07 0.00 0.00 36.82 35.81 1ejx h ILE 1309CO -0.37 0.17 -0.03 0.44 -0.69 0.00 0.00 178.15 177.67 1ejx h ASP 1310N -0.10 -0.27 0.05 1.72 3.45 -1.84 0.22 116.42 119.65 1ejx h ASP 1310Ca 0.02 0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.62 1ejx h ASP 1310Cb 0.25 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1ejx h ASP 1310CO 0.00 -0.09 -0.13 -0.08 -1.57 0.00 0.00 179.24 177.36 1ejx h GLU 1311N 0.09 -0.24 -0.39 3.56 4.81 -1.08 -2.08 114.58 119.25 1ejx h GLU 1311Ca 0.25 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1ejx h GLU 1311Cb 0.38 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1ejx h GLU 1311CO -0.43 -0.16 -0.35 0.45 -0.73 0.00 0.00 179.01 177.79 1ejx h HIS 1312N -0.25 1.08 -0.38 0.92 3.86 -0.69 0.24 115.15 119.93 1ejx h HIS 1312Ca 0.03 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 58.96 1ejx h HIS 1312Cb 0.28 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1ejx h HIS 1312CO -0.17 1.12 0.19 1.25 0.86 0.00 0.00 177.93 181.19 1ejx h LEU 1313N 0.75 0.29 -0.49 2.43 5.85 -0.57 0.22 115.31 123.79 1ejx h LEU 1313Ca 0.07 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 1ejx h LEU 1313Cb 0.93 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1ejx h LEU 1313CO 0.09 0.21 -0.44 -0.78 -0.34 0.00 0.00 178.44 177.17 1ejx h ASP 1314N 0.39 0.81 0.10 1.25 1.82 -1.19 -1.53 116.42 118.08 1ejx h ASP 1314Ca 0.16 -0.39 0.01 0.00 -0.39 0.00 0.00 57.03 56.43 1ejx h ASP 1314Cb 0.06 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1ejx h ASP 1314CO -0.10 1.13 -0.19 -0.03 -1.61 0.00 0.00 179.24 178.44 1ejx h MET 1315N 0.60 -0.34 -0.38 0.28 4.05 -0.16 0.31 114.93 119.30 1ejx h MET 1315Ca 0.04 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1ejx h MET 1315Cb 1.00 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.84 1ejx h MET 1315CO 0.10 -0.23 0.16 1.25 0.23 0.00 0.00 176.91 178.41 1ejx h LEU 1316N -0.36 0.20 -0.62 3.39 5.85 -0.56 0.44 115.31 123.66 1ejx h LEU 1316Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ejx h LEU 1316Cb 0.38 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1ejx h LEU 1316CO -0.10 0.15 0.36 -0.03 -0.34 0.00 0.00 178.44 178.48 1ejx h MET 1317N 0.33 0.68 -0.45 1.25 4.05 -0.78 -3.03 114.93 116.97 1ejx h MET 1317Ca 0.17 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1ejx h MET 1317Cb 0.12 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1ejx h MET 1317CO -0.15 0.45 0.22 0.28 0.23 0.00 0.00 176.91 177.94 1ejx h VAL 1318N 0.70 1.18 0.00 -5.77 2.07 0.40 -3.51 116.25 111.32 1ejx h VAL 1318Ca 0.26 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ejx h VAL 1318Cb 0.09 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ejx h VAL 1318CO -0.13 0.19 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1ejx n VAL 1330N -2.06 0.92 0.19 0.00 0.31 -1.26 -5.04 118.33 111.40 1ejx n VAL 1330Ca 0.05 -0.41 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1ejx n VAL 1330Cb 0.41 -0.97 0.36 0.00 -0.91 0.00 0.00 33.84 32.73 1ejx n VAL 1330CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ejx h ALA 1331N 0.16 1.34 0.26 3.52 0.00 -2.05 -1.52 119.26 120.97 1ejx h ALA 1331Ca -0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1ejx h ALA 1331Cb 1.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ejx h ALA 1331CO -0.04 0.47 -0.12 0.35 0.00 0.00 0.00 179.25 179.91 1ejx h PHE 1332N 0.00 -0.32 -0.78 0.00 3.57 -2.04 -1.64 116.94 115.73 1ejx h PHE 1332Ca -0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1ejx h PHE 1332Cb 0.68 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.44 1ejx h PHE 1332CO 0.00 -0.03 0.37 0.00 -2.23 0.00 0.00 178.31 176.42 1ejx h ALA 1333N 0.05 1.13 0.00 2.41 0.00 -1.92 -0.79 119.26 120.15 1ejx h ALA 1333Ca -0.04 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ejx h ALA 1333Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ejx h ALA 1333CO 0.06 -0.12 -0.31 0.93 0.00 0.00 0.00 179.25 179.81 1ejx h GLU 1334N 0.56 0.00 0.00 0.00 5.08 -1.17 -2.15 114.58 116.90 1ejx h GLU 1334Ca 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1ejx h GLU 1334Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1ejx h GLU 1334CO -0.35 0.31 -0.17 0.66 -1.00 0.00 0.00 179.01 178.46 1ejx h SER 1335N 0.00 0.00 0.12 1.42 4.64 -0.17 -3.36 113.55 116.20 1ejx h SER 1335Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1ejx h SER 1335Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1ejx h SER 1335CO 0.04 0.17 -1.81 -0.09 -0.87 0.00 0.00 176.83 174.27 1ejx h ARG 1336N 0.00 0.25 -4.94 4.77 2.43 -1.06 -3.42 114.38 112.43 1ejx h ARG 1336Ca -0.00 -0.43 -0.67 0.00 -0.81 0.00 0.00 59.98 58.07 1ejx h ARG 1336Cb 1.13 0.16 -0.17 0.00 -0.42 0.00 0.00 29.97 30.67 1ejx h ARG 1336CO 0.02 1.21 -0.29 0.42 -1.51 0.00 0.00 179.97 179.82 1ejx s ILE 1337N -2.53 5.17 -0.03 1.20 -1.09 -0.84 -3.95 121.20 119.12 1ejx s ILE 1337Ca -0.22 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1ejx s ILE 1337Cb 0.06 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1ejx s ILE 1337CO 0.76 -0.11 -0.04 -0.13 -1.23 0.00 0.00 174.94 174.19 1ejx s ARG 1338N 2.02 0.68 0.30 2.79 0.52 -1.26 -4.82 118.95 119.18 1ejx s ARG 1338Ca 0.12 -0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.21 1ejx s ARG 1338Cb -0.17 -0.70 0.51 0.00 0.52 0.00 0.00 34.95 35.11 1ejx s ARG 1338CO 0.12 -0.03 1.94 -0.09 0.02 0.00 0.00 175.30 177.26 1ejx h ARG 1339N 6.89 1.02 -0.55 3.54 2.43 -1.96 -1.03 114.38 124.71 1ejx h ARG 1339Ca -0.37 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 1ejx h ARG 1339Cb 1.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1ejx h ARG 1339CO 0.48 0.67 0.18 0.93 -1.51 0.00 0.00 179.97 180.73 1ejx h GLU 1340N 1.05 0.85 0.04 0.20 3.07 -1.91 0.84 114.58 118.72 1ejx h GLU 1340Ca 0.35 -0.18 -0.25 0.00 -0.50 0.00 0.00 59.36 58.78 1ejx h GLU 1340Cb 0.06 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1ejx h GLU 1340CO -0.11 0.77 -1.23 1.79 -1.40 0.00 0.00 179.01 178.83 1ejx h THR 1341N 0.76 1.47 -0.37 1.13 1.35 -1.72 -2.80 112.91 112.73 1ejx h THR 1341Ca 0.18 -3.16 -0.03 0.00 -0.55 0.00 0.00 66.41 62.85 1ejx h THR 1341Cb 0.26 2.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 1ejx h THR 1341CO -0.01 0.87 0.12 0.40 -0.25 0.00 0.00 175.52 176.65 1ejx h ILE 1342N 0.02 1.21 -0.48 6.82 2.04 -0.82 -1.97 117.51 124.34 1ejx h ILE 1342Ca -0.11 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1ejx h ILE 1342Cb 1.88 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1ejx h ILE 1342CO 0.14 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.53 1ejx h ALA 1343N 0.97 1.12 -0.06 1.87 0.00 0.64 -3.11 119.26 120.70 1ejx h ALA 1343Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1ejx h ALA 1343Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ejx h ALA 1343CO -0.01 0.56 -0.73 0.00 0.00 0.00 0.00 179.25 179.08 1ejx h ALA 1344N 1.28 0.65 -0.99 0.00 0.00 -1.30 -3.29 119.26 115.60 1ejx h ALA 1344Ca 0.14 -0.62 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1ejx h ALA 1344Cb 0.43 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1ejx h ALA 1344CO 0.02 0.79 0.62 1.49 0.00 0.00 0.00 179.25 182.17 1ejx h GLU 1345N 0.21 0.86 -0.72 0.00 4.81 -1.29 -0.98 114.58 117.48 1ejx h GLU 1345Ca -0.03 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ejx h GLU 1345Cb 1.30 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1ejx h GLU 1345CO 0.12 0.57 0.46 -0.44 -0.73 0.00 0.00 179.01 178.99 1ejx h ASP 1346N 0.89 0.78 -0.11 1.04 3.32 -1.69 -0.94 116.42 119.71 1ejx h ASP 1346Ca 0.51 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.42 1ejx h ASP 1346Cb 0.64 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1ejx h ASP 1346CO -0.29 0.55 -0.39 0.58 -1.72 0.00 0.00 179.24 177.97 1ejx h VAL 1347N 0.92 1.29 0.00 -1.35 2.07 -1.50 -0.95 116.25 116.74 1ejx h VAL 1347Ca 0.28 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1ejx h VAL 1347Cb -0.05 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1ejx h VAL 1347CO -0.08 0.50 -0.38 -0.07 0.02 0.00 0.00 177.57 177.55 1ejx h LEU 1348N 0.52 0.00 -0.13 2.57 3.38 -0.64 0.28 115.31 121.30 1ejx h LEU 1348Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ejx h LEU 1348Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ejx h LEU 1348CO 0.08 0.38 0.02 0.45 0.09 0.00 0.00 178.44 179.46 1ejx h HIS 1349N 0.00 0.23 -0.94 1.13 3.86 -0.94 -0.56 115.15 117.93 1ejx h HIS 1349Ca -0.00 -0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.34 1ejx h HIS 1349Cb 0.84 -0.06 -0.10 0.00 1.06 0.00 0.00 27.41 29.15 1ejx h HIS 1349CO 0.00 0.41 0.55 0.22 0.86 0.00 0.00 177.93 179.97 1ejx h ASP 1350N -0.02 0.71 0.68 2.45 3.58 0.00 -1.92 116.42 121.90 1ejx h ASP 1350Ca 0.04 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1ejx h ASP 1350Cb 0.31 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ejx h ASP 1350CO 0.00 0.29 0.00 0.18 -2.88 0.00 0.00 179.24 176.83 1ejx n LEU 1351N -4.79 0.00 0.00 2.28 4.77 -0.03 -4.95 117.00 114.29 1ejx n LEU 1351Ca 0.20 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1ejx n LEU 1351Cb 0.49 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ejx n LEU 1351CO 0.22 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1ejx n GLY 1352N 1.00 0.50 0.08 -0.72 0.00 -0.72 -4.61 105.19 100.72 1ejx n GLY 1352Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1ejx n GLY 1352CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx h ALA 1353N 0.00 0.54 -3.39 4.61 0.00 -1.29 0.30 119.26 120.02 1ejx h ALA 1353Ca 0.00 -0.93 -0.66 0.00 0.00 0.00 0.00 54.91 53.33 1ejx h ALA 1353Cb 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.64 1ejx h ALA 1353CO 0.00 1.16 -0.66 -0.06 0.00 0.00 0.00 179.25 179.69 1ejx s PHE 1354N -2.76 3.04 -0.04 0.00 0.40 -1.11 -4.82 117.98 112.69 1ejx s PHE 1354Ca -0.00 -0.09 0.13 0.00 -0.60 0.00 0.00 56.93 56.37 1ejx s PHE 1354Cb 0.09 -1.86 -0.19 0.00 0.51 0.00 0.00 43.02 41.57 1ejx s PHE 1354CO 0.80 0.18 0.24 0.43 0.70 0.00 0.00 175.22 177.58 1ejx n SER 1355N 2.88 2.01 -4.14 1.36 7.64 -0.59 -4.63 113.62 118.14 1ejx n SER 1355Ca -0.18 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.57 1ejx n SER 1355Cb 0.53 1.44 -0.11 0.00 -1.01 0.00 0.00 64.21 65.05 1ejx n SER 1355CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ejx s LEU 1356N -4.11 2.37 0.23 -3.43 1.02 -1.09 -4.07 118.68 109.59 1ejx s LEU 1356Ca -0.05 -0.76 0.11 0.00 0.02 0.00 0.00 54.13 53.45 1ejx s LEU 1356Cb 0.07 -0.23 -0.05 0.00 0.02 0.00 0.00 46.19 46.01 1ejx s LEU 1356CO 0.53 -0.27 -0.18 0.42 0.02 0.00 0.00 176.35 176.88 1ejx s THR 1357N -2.26 2.65 0.27 5.49 -4.23 -0.64 -1.84 115.64 115.07 1ejx s THR 1357Ca 0.01 -2.08 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 1ejx s THR 1357Cb -0.04 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.52 1ejx s THR 1357CO -0.01 -0.23 0.86 -0.94 -0.54 0.00 0.00 174.62 173.77 1ejx s SER 1358N -3.06 -0.09 -0.13 3.99 1.04 -0.68 -4.67 113.70 110.09 1ejx s SER 1358Ca 0.25 -0.77 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 1ejx s SER 1358Cb -0.07 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1ejx s SER 1358CO 0.13 -1.30 -0.18 -1.54 0.98 0.00 0.00 173.24 171.33 1ejx n SER 1359N -0.96 1.58 -0.96 7.02 3.41 -1.26 -2.16 113.62 120.28 1ejx n SER 1359Ca -0.06 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1ejx n SER 1359Cb 0.60 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1ejx n SER 1359CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ejx n ASP 1360N -4.27 -1.75 -4.46 4.04 -0.08 -0.38 -2.69 116.55 106.96 1ejx n ASP 1360Ca -0.07 0.00 -0.53 0.00 -1.51 0.00 0.00 54.79 52.68 1ejx n ASP 1360Cb 0.27 -0.44 -0.08 0.00 2.34 0.00 0.00 41.12 43.22 1ejx n ASP 1360CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ejx n SER 1361N -0.96 2.03 -1.81 1.67 2.88 -1.08 -1.00 113.62 115.34 1ejx n SER 1361Ca 0.00 0.54 -0.20 0.00 -1.33 0.00 0.00 58.87 57.88 1ejx n SER 1361Cb 0.44 -1.21 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1ejx n SER 1361CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ejx n GLN 1362N 7.73 -1.52 -2.67 -1.46 6.02 -0.79 -3.99 117.38 120.70 1ejx n GLN 1362Ca 0.41 1.15 -0.07 0.00 -0.01 0.00 0.00 57.00 58.47 1ejx n GLN 1362Cb 0.19 -5.60 0.04 0.00 1.02 0.00 0.00 30.24 25.88 1ejx n GLN 1362CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ejx n ALA 1363N 0.42 3.26 -1.32 -1.58 0.00 -0.17 -4.90 120.51 116.22 1ejx n ALA 1363Ca -0.21 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1ejx n ALA 1363Cb 0.67 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1ejx n ALA 1363CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ejx n MET 1364N -0.46 0.00 -3.58 0.00 2.81 -1.22 -4.93 117.12 109.74 1ejx n MET 1364Ca 0.14 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.97 1ejx n MET 1364Cb 0.82 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.89 1ejx n MET 1364CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ejx s GLY 1365N -2.42 -0.27 -0.28 3.03 0.00 -0.80 -4.35 107.32 102.24 1ejx s GLY 1365Ca 0.00 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.44 1ejx s GLY 1365CO 0.00 0.67 -0.02 0.50 0.00 0.00 0.00 173.10 174.24 1ejx s ARG 1366N -2.11 2.60 0.64 2.90 0.52 -1.25 -1.89 118.95 120.35 1ejx s ARG 1366Ca 0.06 -1.14 0.36 0.00 -0.52 0.00 0.00 55.73 54.49 1ejx s ARG 1366Cb -0.01 -3.10 2.00 0.00 0.52 0.00 0.00 34.95 34.36 1ejx s ARG 1366CO -0.05 -0.53 2.20 -0.24 0.02 0.00 0.00 175.30 176.70 1ejx h VAL 1367N 6.33 0.19 -0.38 3.52 3.04 -1.91 -2.18 116.25 124.85 1ejx h VAL 1367Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1ejx h VAL 1367Cb 1.08 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1ejx h VAL 1367CO 0.55 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 1ejx n GLY 1368N -1.22 3.20 0.08 3.17 0.00 -1.26 -4.23 105.19 104.93 1ejx n GLY 1368Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1ejx n GLY 1368CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ejx n GLU 1369N 0.30 2.68 -0.00 1.61 1.02 -0.82 -4.77 120.64 120.66 1ejx n GLU 1369Ca 0.18 -1.76 -0.12 0.00 -0.02 0.00 0.00 57.16 55.43 1ejx n GLU 1369Cb 0.68 -1.13 -0.08 0.00 -0.02 0.00 0.00 31.44 30.89 1ejx n GLU 1369CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ejx h VAL 1370N 0.20 1.21 -0.09 2.62 2.07 -1.80 -2.06 116.25 118.40 1ejx h VAL 1370Ca 0.00 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1ejx h VAL 1370Cb 0.63 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1ejx h VAL 1370CO 0.00 0.17 -0.05 0.40 0.02 0.00 0.00 177.57 178.11 1ejx h ILE 1371N -0.17 1.33 -0.91 4.57 2.04 -1.88 -2.49 117.51 120.00 1ejx h ILE 1371Ca 0.01 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1ejx h ILE 1371Cb 0.26 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1ejx h ILE 1371CO 0.00 0.31 0.52 0.17 0.00 0.00 0.00 178.15 179.15 1ejx h LEU 1372N -0.20 1.12 -0.54 1.44 8.10 -1.61 -0.91 115.31 122.71 1ejx h LEU 1372Ca 0.02 -0.09 -0.15 0.00 0.11 0.00 0.00 57.88 57.77 1ejx h LEU 1372Cb 0.52 -0.29 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1ejx h LEU 1372CO 0.01 0.89 -0.49 0.03 -4.11 0.00 0.00 178.44 174.77 1ejx h ARG 1373N 1.27 0.61 -0.54 0.17 3.08 -1.42 0.17 114.38 117.72 1ejx h ARG 1373Ca 0.32 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ejx h ARG 1373Cb -0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1ejx h ARG 1373CO -0.06 0.96 0.34 1.15 -1.07 0.00 0.00 179.97 181.30 1ejx h THR 1374N 0.48 1.10 -0.02 2.04 2.02 -0.91 -0.07 112.91 117.54 1ejx h THR 1374Ca 0.02 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 1ejx h THR 1374Cb 1.03 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1ejx h THR 1374CO 0.10 0.13 -0.49 -0.50 0.37 0.00 0.00 175.52 175.12 1ejx h TRP 1375N 0.69 0.06 -0.59 3.16 4.06 -0.58 -2.52 115.95 120.24 1ejx h TRP 1375Ca 0.21 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 61.04 1ejx h TRP 1375Cb -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1ejx h TRP 1375CO -0.05 0.53 -0.01 1.96 -3.56 0.00 0.00 178.44 177.31 1ejx h GLN 1376N 0.04 1.03 -0.33 0.49 4.20 0.30 -0.73 115.11 120.11 1ejx h GLN 1376Ca -0.00 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1ejx h GLN 1376Cb 0.89 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1ejx h GLN 1376CO 0.07 1.02 0.16 0.28 -0.67 0.00 0.00 178.83 179.68 1ejx h VAL 1377N 0.94 1.16 -0.78 -0.54 2.07 -0.86 -1.06 116.25 117.19 1ejx h VAL 1377Ca 0.17 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1ejx h VAL 1377Cb 0.56 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1ejx h VAL 1377CO 0.03 0.17 0.47 0.00 0.02 0.00 0.00 177.57 178.27 1ejx h ALA 1378N 1.01 1.05 0.15 1.67 0.00 -1.04 -0.07 119.26 122.03 1ejx h ALA 1378Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ejx h ALA 1378Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ejx h ALA 1378CO -0.01 0.22 -0.07 1.25 0.00 0.00 0.00 179.25 180.63 1ejx h HIS 1379N 0.88 -0.19 0.00 0.00 6.17 -0.99 -0.79 115.15 120.23 1ejx h HIS 1379Ca 0.33 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 1ejx h HIS 1379Cb 0.13 0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.12 1ejx h HIS 1379CO -0.04 0.01 -0.06 0.00 0.71 0.00 0.00 177.93 178.54 1ejx h ARG 1380N -0.36 0.00 0.20 5.26 2.47 -0.54 0.16 114.38 121.58 1ejx h ARG 1380Ca -0.02 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.38 1ejx h ARG 1380Cb 0.28 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.63 1ejx h ARG 1380CO 0.03 0.06 -1.38 0.52 0.56 0.00 0.00 179.97 179.76 1ejx h MET 1381N 0.00 0.55 -0.38 0.04 2.86 -0.95 -1.72 114.93 115.32 1ejx h MET 1381Ca -0.00 -0.86 -0.03 0.00 -2.06 0.00 0.00 59.70 56.76 1ejx h MET 1381Cb 0.12 0.31 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1ejx h MET 1381CO 0.01 1.40 0.13 -0.22 1.06 0.00 0.00 176.91 179.29 1ejx h LYS 1382N 0.18 0.58 -0.99 1.72 3.64 0.03 0.46 116.57 122.20 1ejx h LYS 1382Ca -0.22 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1ejx h LYS 1382Cb 2.07 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.75 1ejx h LYS 1382CO 0.26 0.58 0.65 0.28 -2.27 0.00 0.00 179.45 178.95 1ejx h VAL 1383N 0.47 1.22 0.06 2.00 2.07 -0.74 -0.28 116.25 121.04 1ejx h VAL 1383Ca 0.12 -0.44 -0.31 0.00 0.82 0.00 0.00 66.70 66.89 1ejx h VAL 1383Cb 0.23 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 1ejx h VAL 1383CO -0.01 0.24 -1.73 1.56 0.02 0.00 0.00 177.57 177.65 1ejx h GLN 1384N 1.30 0.12 0.00 1.57 4.20 -1.00 -3.40 115.11 117.89 1ejx h GLN 1384Ca 0.38 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ejx h GLN 1384Cb -0.08 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ejx h GLN 1384CO -0.10 0.84 -0.56 0.54 -0.67 0.00 0.00 178.83 178.88 1ejx n ARG 1385N -3.26 3.47 0.00 1.46 1.74 0.16 -5.08 116.66 115.15 1ejx n ARG 1385Ca -0.21 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1ejx n ARG 1385Cb 1.04 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1ejx n ARG 1385CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ejx n GLY 1386N 1.31 -1.11 3.78 -0.13 0.00 -0.12 -4.89 105.19 104.04 1ejx n GLY 1386Ca 0.01 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1ejx n GLY 1386CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx s ALA 1387N -1.12 3.14 0.57 4.61 0.00 -1.26 -4.55 121.76 123.14 1ejx s ALA 1387Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 1ejx s ALA 1387Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1ejx s ALA 1387CO 0.00 -0.09 1.13 -0.51 0.00 0.00 0.00 175.76 176.29 1ejx s LEU 1388N -2.41 3.69 0.46 0.00 1.43 -1.26 -4.89 118.68 115.70 1ejx s LEU 1388Ca 0.55 2.17 0.20 0.00 -1.03 0.00 0.00 54.13 56.02 1ejx s LEU 1388Cb -0.21 -4.58 1.18 0.00 0.03 0.00 0.00 46.19 42.61 1ejx s LEU 1388CO 0.27 -1.32 1.93 0.00 0.23 0.00 0.00 176.35 177.46 1ejx h ALA 1389N 1.00 2.30 0.00 4.21 0.00 -1.98 -0.22 119.26 124.56 1ejx h ALA 1389Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ejx h ALA 1389Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ejx h ALA 1389CO 0.56 -0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.70 1ejx n GLU 1390N -4.44 0.04 -2.16 0.00 4.71 -1.26 -4.91 120.64 112.62 1ejx n GLU 1390Ca 0.14 0.24 -0.40 0.00 -0.01 0.00 0.00 57.16 57.14 1ejx n GLU 1390Cb 0.62 -1.57 -0.02 0.00 -1.01 0.00 0.00 31.44 29.46 1ejx n GLU 1390CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1ejx s GLU 1391N -3.05 4.15 -0.08 3.49 2.56 -0.10 -4.87 118.70 120.80 1ejx s GLU 1391Ca 0.08 2.07 0.06 0.00 0.00 0.00 0.00 54.97 57.18 1ejx s GLU 1391Cb 0.11 -2.86 -0.09 0.00 2.00 0.00 0.00 34.13 33.29 1ejx s GLU 1391CO 0.34 -0.31 0.01 0.25 -0.56 0.00 0.00 175.26 174.99 1ejx n THR 1392N 0.39 0.54 -3.27 -1.70 -2.24 -1.26 -5.01 114.28 101.73 1ejx n THR 1392Ca 0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1ejx n THR 1392Cb 0.44 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1ejx n THR 1392CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ejx n GLY 1393N 2.57 6.46 3.16 3.38 0.00 -1.26 -5.05 105.19 114.45 1ejx n GLY 1393Ca -0.13 -1.95 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 1ejx n GLY 1393CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ejx n ASP 1394N -0.38 5.57 -3.54 1.61 2.03 -1.26 -4.86 116.55 115.72 1ejx n ASP 1394Ca 0.00 -3.14 -0.02 0.00 0.52 0.00 0.00 54.79 52.15 1ejx n ASP 1394Cb 0.00 -1.43 0.01 0.00 -0.72 0.00 0.00 41.12 38.98 1ejx n ASP 1394CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ejx s ASN 1395N 0.79 -0.04 -0.26 1.67 6.03 -1.26 -4.97 114.94 116.90 1ejx s ASN 1395Ca 0.36 -0.49 0.11 0.00 -1.03 0.00 0.00 52.86 51.82 1ejx s ASN 1395Cb 0.01 0.41 0.52 0.00 -3.03 0.00 0.00 41.25 39.15 1ejx s ASN 1395CO 0.01 -0.79 1.46 0.47 -2.03 0.00 0.00 177.10 176.22 1ejx n ASP 1396N -0.96 2.96 -0.19 3.54 8.00 0.10 -4.81 116.55 125.19 1ejx n ASP 1396Ca -0.03 -3.52 -0.01 0.00 0.71 0.00 0.00 54.79 51.93 1ejx n ASP 1396Cb 0.60 -0.61 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 1ejx n ASP 1396CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1ejx h ASN 1397N 1.22 -0.52 -0.12 -2.24 4.21 -1.95 -0.17 115.58 116.01 1ejx h ASN 1397Ca 0.17 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.85 1ejx h ASN 1397Cb 1.63 0.35 -0.01 0.00 -1.12 0.00 0.00 38.32 39.18 1ejx h ASN 1397CO 0.36 -0.19 0.08 0.15 -1.29 0.00 0.00 177.43 176.54 1ejx h PHE 1398N 0.01 0.15 -0.34 1.19 3.04 -1.89 -1.20 116.94 117.89 1ejx h PHE 1398Ca 0.29 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.29 1ejx h PHE 1398Cb 0.44 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 1ejx h PHE 1398CO -0.47 0.09 0.07 -0.09 -2.02 0.00 0.00 178.31 175.90 1ejx h ARG 1399N 0.16 0.19 -0.54 1.11 2.43 -1.88 0.18 114.38 116.03 1ejx h ARG 1399Ca 0.05 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1ejx h ARG 1399Cb -0.02 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1ejx h ARG 1399CO -0.01 0.12 0.20 0.28 -1.51 0.00 0.00 179.97 179.05 1ejx h VAL 1400N 0.19 0.82 -0.61 0.20 2.07 -0.83 -0.56 116.25 117.54 1ejx h VAL 1400Ca 0.16 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1ejx h VAL 1400Cb 0.18 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1ejx h VAL 1400CO -0.21 0.07 0.03 0.11 0.02 0.00 0.00 177.57 177.60 1ejx h LYS 1401N 0.39 1.05 -0.69 1.57 1.57 -0.76 -0.22 116.57 119.48 1ejx h LYS 1401Ca 0.26 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ejx h LYS 1401Cb 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1ejx h LYS 1401CO -0.26 1.00 0.44 -0.09 -0.57 0.00 0.00 179.45 179.98 1ejx h ARG 1402N 0.97 0.85 0.08 3.15 2.43 -0.08 -2.57 114.38 119.22 1ejx h ARG 1402Ca 0.18 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 59.02 1ejx h ARG 1402Cb 0.51 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1ejx h ARG 1402CO 0.02 0.56 -1.40 1.88 -1.51 0.00 0.00 179.97 179.53 1ejx h TYR 1403N 0.88 0.31 -0.21 2.20 -1.99 -0.92 -3.27 116.97 113.96 1ejx h TYR 1403Ca 0.27 -0.22 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 1ejx h TYR 1403Cb -0.03 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1ejx h TYR 1403CO -0.04 1.24 -0.10 0.97 -0.00 0.00 0.00 178.16 180.23 1ejx h ILE 1404N 0.05 1.19 0.00 -2.88 2.10 -1.04 -1.54 117.51 115.39 1ejx h ILE 1404Ca -0.18 -0.83 -0.01 0.00 1.08 0.00 0.00 64.86 64.92 1ejx h ILE 1404Cb 1.96 1.15 -0.00 0.00 -1.09 0.00 0.00 36.82 38.83 1ejx h ILE 1404CO 0.15 0.27 -0.05 0.00 -1.08 0.00 0.00 178.15 177.44 1ejx h ALA 1405N 1.57 1.80 0.00 0.18 0.00 -1.51 -2.58 119.26 118.73 1ejx h ALA 1405Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ejx h ALA 1405Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ejx h ALA 1405CO 0.02 0.06 -0.19 0.87 0.00 0.00 0.00 179.25 180.01 1ejx h LYS 1406N 0.00 0.00 -0.18 0.00 1.57 -1.33 -1.38 116.57 115.25 1ejx h LYS 1406Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ejx h LYS 1406Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ejx h LYS 1406CO 0.01 0.19 0.00 2.48 -0.57 0.00 0.00 179.45 181.56 1ejx n TYR 1407N -4.11 0.33 0.00 -1.35 0.18 -1.00 -1.63 117.16 109.58 1ejx n TYR 1407Ca -0.02 -0.61 0.00 0.00 1.88 0.00 0.00 57.90 59.15 1ejx n TYR 1407Cb 0.26 -0.09 0.00 0.00 -0.38 0.00 0.00 39.34 39.13 1ejx n TYR 1407CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1ejx n THR 1408N -0.19 0.00 -0.26 -3.48 -2.24 -1.07 -0.50 114.28 106.54 1ejx n THR 1408Ca 0.10 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1ejx n THR 1408Cb 0.46 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1ejx n THR 1408CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ejx h ILE 1409N 0.00 1.26 -0.58 2.28 6.09 -1.35 -2.86 117.51 122.36 1ejx h ILE 1409Ca 0.00 -0.93 -0.09 0.00 -1.37 0.00 0.00 64.86 62.47 1ejx h ILE 1409Cb 0.00 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 37.75 1ejx h ILE 1409CO 0.00 0.36 0.03 0.78 -3.07 0.00 0.00 178.15 176.25 1ejx h ASN 1410N 1.08 0.98 -0.39 2.19 2.35 -1.54 -0.50 115.58 119.75 1ejx h ASN 1410Ca 0.23 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1ejx h ASN 1410Cb 0.33 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1ejx h ASN 1410CO -0.00 1.03 -0.10 -0.65 -1.65 0.00 0.00 177.43 176.06 1ejx h PRO 1411N 0.89 0.83 -0.39 0.81 0.11 -1.77 0.17 132.00 132.66 1ejx h PRO 1411Ca 0.17 -0.28 0.03 0.00 0.11 0.00 0.00 66.00 66.03 1ejx h PRO 1411Cb 0.51 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1ejx h PRO 1411CO 0.02 0.90 0.19 0.00 -0.21 0.00 0.00 178.00 178.90 1ejx h ALA 1412N 1.13 0.47 -0.43 -0.75 0.00 -1.21 -2.07 119.26 116.42 1ejx h ALA 1412Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1ejx h ALA 1412Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ejx h ALA 1412CO 0.04 -0.18 -0.17 -0.07 0.00 0.00 0.00 179.25 178.86 1ejx h LEU 1413N 0.38 0.90 -1.56 0.00 3.38 -0.87 -0.24 115.31 117.31 1ejx h LEU 1413Ca 0.17 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1ejx h LEU 1413Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ejx h LEU 1413CO -0.12 1.09 0.36 0.74 0.09 0.00 0.00 178.44 180.59 1ejx h THR 1414N 0.70 1.03 -0.62 0.22 2.02 -0.30 -2.57 112.91 113.39 1ejx h THR 1414Ca 0.10 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1ejx h THR 1414Cb 0.73 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1ejx h THR 1414CO 0.06 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.46 1ejx n HIS 1415N -4.47 1.12 -2.84 3.16 8.25 -0.81 -4.84 115.22 114.79 1ejx n HIS 1415Ca 0.07 -0.57 -0.19 0.00 -0.26 0.00 0.00 57.72 56.77 1ejx n HIS 1415Cb 0.19 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1ejx n HIS 1415CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ejx n GLY 1416N 1.16 -0.35 0.04 -1.41 0.00 -0.81 -4.73 105.19 99.09 1ejx n GLY 1416Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1ejx n GLY 1416CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ejx n ILE 1417N -4.31 0.82 0.34 -0.61 -5.35 -0.17 -1.32 119.36 108.77 1ejx n ILE 1417Ca -0.11 -0.88 0.07 0.00 -0.27 0.00 0.00 62.75 61.56 1ejx n ILE 1417Cb 0.61 0.51 0.31 0.00 -1.74 0.00 0.00 39.64 39.33 1ejx n ILE 1417CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ejx n ALA 1418N -0.48 1.47 0.21 -1.28 0.00 -0.88 -1.58 120.51 117.95 1ejx n ALA 1418Ca 0.02 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1ejx n ALA 1418Cb 0.40 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 18.94 1ejx n ALA 1418CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ejx h HIS 1419N 0.00 0.00 0.00 0.00 2.07 -1.89 -3.36 115.15 111.97 1ejx h HIS 1419Ca 0.00 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.19 1ejx h HIS 1419Cb 0.20 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.12 1ejx h HIS 1419CO 0.00 0.22 -2.23 0.39 -3.07 0.00 0.00 177.93 173.24 1ejx n GLU 1420N -3.25 0.58 -4.06 5.12 -0.58 -0.62 -4.64 120.64 113.19 1ejx n GLU 1420Ca 0.01 0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.68 1ejx n GLU 1420Cb 0.52 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.88 1ejx n GLU 1420CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ejx n VAL 1421N -3.11 0.00 0.00 2.62 0.24 -0.80 -0.07 118.33 117.21 1ejx n VAL 1421Ca -0.38 -2.20 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 1ejx n VAL 1421Cb 0.92 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 34.32 1ejx n VAL 1421CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ejx n GLY 1422N -0.57 1.64 3.72 7.63 0.00 -1.26 -4.28 105.19 112.06 1ejx n GLY 1422Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1ejx n GLY 1422CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ejx s SER 1423N -1.71 -0.15 -0.79 1.61 1.04 -1.26 -1.75 113.70 110.69 1ejx s SER 1423Ca 0.00 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 1ejx s SER 1423Cb 0.00 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.66 1ejx s SER 1423CO 0.00 -0.75 0.94 -0.63 0.98 0.00 0.00 173.24 173.78 1ejx s ILE 1424N -3.08 4.84 -0.01 -1.02 1.01 -1.26 -4.93 121.20 116.75 1ejx s ILE 1424Ca 0.12 -1.40 -0.05 0.00 0.00 0.00 0.00 60.65 59.33 1ejx s ILE 1424Cb 0.00 -4.64 -0.00 0.00 0.01 0.00 0.00 42.46 37.83 1ejx s ILE 1424CO 0.01 -1.33 0.09 -1.61 0.00 0.00 0.00 174.94 172.10 1ejx s GLU 1425N 2.48 0.35 0.20 2.79 2.02 -1.26 -5.08 118.70 120.20 1ejx s GLU 1425Ca 0.23 -0.30 -0.33 0.00 0.02 0.00 0.00 54.97 54.60 1ejx s GLU 1425Cb -0.12 0.14 -0.13 0.00 0.10 0.00 0.00 34.13 34.12 1ejx s GLU 1425CO -0.03 -0.07 1.59 0.28 0.02 0.00 0.00 175.26 177.05 1ejx n VAL 1426N 1.90 0.28 0.00 2.63 0.31 -1.26 -2.39 118.33 119.80 1ejx n VAL 1426Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1ejx n VAL 1426Cb 0.56 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1ejx n VAL 1426CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ejx n GLY 1427N 3.19 2.96 3.89 2.92 0.00 0.50 -4.97 105.19 113.68 1ejx n GLY 1427Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ejx n GLY 1427CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ejx s LYS 1428N -0.69 3.22 0.33 1.61 1.02 -1.00 -4.74 119.74 119.49 1ejx s LYS 1428Ca 0.00 0.46 -0.29 0.00 0.02 0.00 0.00 55.97 56.16 1ejx s LYS 1428Cb 0.00 -2.13 -0.12 0.00 -0.52 0.00 0.00 37.83 35.07 1ejx s LYS 1428CO 0.00 -0.71 1.44 -0.11 -0.92 0.00 0.00 175.35 175.05 1ejx n LEU 1429N -2.76 4.11 -4.16 3.17 7.94 0.90 -0.41 117.00 125.79 1ejx n LEU 1429Ca 0.05 1.19 -0.43 0.00 -1.11 0.00 0.00 56.01 55.72 1ejx n LEU 1429Cb 0.56 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.96 1ejx n LEU 1429CO 0.56 -0.12 1.80 0.00 -1.11 0.00 0.00 177.39 178.53 1ejx n ALA 1430N 0.97 4.61 -2.91 1.96 0.00 -0.20 -4.67 120.51 120.27 1ejx n ALA 1430Ca 0.05 -4.20 -0.40 0.00 0.00 0.00 0.00 53.44 48.89 1ejx n ALA 1430Cb 0.37 -3.12 -0.11 0.00 0.00 0.00 0.00 19.45 16.58 1ejx n ALA 1430CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ejx s ASP 1431N 2.18 5.64 0.03 0.00 1.01 -1.26 -1.29 116.67 122.99 1ejx s ASP 1431Ca 0.43 -1.02 -0.00 0.00 0.71 0.00 0.00 52.55 52.67 1ejx s ASP 1431Cb 0.04 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1ejx s ASP 1431CO 0.00 -0.37 -0.03 -0.76 0.21 0.00 0.00 175.17 174.22 1ejx s LEU 1432N 1.52 2.32 -0.08 1.23 1.43 -0.86 -2.70 118.68 121.54 1ejx s LEU 1432Ca 0.01 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ejx s LEU 1432Cb -0.19 0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1ejx s LEU 1432CO 0.06 -0.38 -0.10 -0.69 0.23 0.00 0.00 176.35 175.47 1ejx s VAL 1433N -2.19 1.02 -0.22 -1.59 1.01 -0.15 0.08 120.40 118.36 1ejx s VAL 1433Ca -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1ejx s VAL 1433Cb -0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1ejx s VAL 1433CO -0.03 0.34 0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1ejx s VAL 1434N 1.09 4.80 -0.02 2.92 1.01 0.53 -1.10 120.40 129.63 1ejx s VAL 1434Ca -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ejx s VAL 1434Cb -0.14 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1ejx s VAL 1434CO -0.01 0.38 -0.25 0.26 0.00 0.00 0.00 175.10 175.48 1ejx s TRP 1435N 1.01 2.20 0.08 5.22 0.52 0.49 0.63 118.94 129.09 1ejx s TRP 1435Ca 0.05 -0.42 -0.28 0.00 0.02 0.00 0.00 56.10 55.47 1ejx s TRP 1435Cb -0.14 -1.42 -0.06 0.00 -1.15 0.00 0.00 33.47 30.71 1ejx s TRP 1435CO 0.03 -0.04 0.89 -1.12 0.02 0.00 0.00 176.95 176.73 1ejx s SER 1436N -0.57 7.39 0.48 2.95 0.01 -1.26 -0.95 113.70 121.75 1ejx s SER 1436Ca 0.09 1.66 0.30 0.00 1.31 0.00 0.00 55.95 59.31 1ejx s SER 1436Cb -0.10 -2.54 1.38 0.00 0.21 0.00 0.00 66.02 64.98 1ejx s SER 1436CO -0.01 -0.04 1.75 -0.65 0.41 0.00 0.00 173.24 174.70 1ejx h PRO 1437N 5.66 0.15 0.00 12.44 0.11 -1.92 -0.43 132.00 148.02 1ejx h PRO 1437Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1ejx h PRO 1437Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ejx h PRO 1437CO 0.72 0.10 -0.13 0.00 -0.21 0.00 0.00 178.00 178.48 1ejx h ALA 1438N 1.49 1.10 -0.13 -0.75 0.00 -1.88 0.29 119.26 119.38 1ejx h ALA 1438Ca 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1ejx h ALA 1438Cb 2.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ejx h ALA 1438CO -0.17 0.16 0.00 1.19 0.00 0.00 0.00 179.25 180.43 1ejx n PHE 1439N -3.38 0.26 -1.62 0.00 3.72 -0.26 -4.43 117.46 111.74 1ejx n PHE 1439Ca -0.01 -0.65 -0.48 0.00 -0.05 0.00 0.00 57.45 56.26 1ejx n PHE 1439Cb 0.32 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1ejx n PHE 1439CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ejx n PHE 1440N -0.41 1.72 0.00 1.38 7.35 -0.66 -1.24 117.46 125.60 1ejx n PHE 1440Ca 0.09 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1ejx n PHE 1440Cb 0.46 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.91 1ejx n PHE 1440CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ejx n GLY 1441N 2.45 2.60 0.27 7.13 0.00 -1.26 -4.49 105.19 111.90 1ejx n GLY 1441Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1ejx n GLY 1441CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ejx n VAL 1442N -1.96 0.66 -3.46 1.61 0.24 -0.37 -3.45 118.33 111.59 1ejx n VAL 1442Ca 0.00 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.34 61.87 1ejx n VAL 1442Cb 0.00 -1.19 -0.12 0.00 -1.47 0.00 0.00 33.84 31.06 1ejx n VAL 1442CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ejx s LYS 1443N -2.22 0.26 0.64 7.34 1.02 -0.97 -4.89 119.74 120.93 1ejx s LYS 1443Ca -0.16 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1ejx s LYS 1443Cb 0.05 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 1ejx s LYS 1443CO 0.24 -1.00 1.04 -1.25 -0.92 0.00 0.00 175.35 173.46 1ejx s PRO 1444N 2.26 3.40 0.08 -1.68 0.04 -1.26 -4.71 135.00 133.14 1ejx s PRO 1444Ca 0.09 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 61.91 1ejx s PRO 1444Cb -0.15 -2.05 -0.27 0.00 0.04 0.00 0.00 34.50 32.07 1ejx s PRO 1444CO -0.33 -0.73 1.16 0.00 0.04 0.00 0.00 177.00 177.14 1ejx h ALA 1445N -0.43 0.12 -2.24 8.56 0.00 -0.15 -3.41 119.26 121.71 1ejx h ALA 1445Ca -0.44 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 53.55 1ejx h ALA 1445Cb 1.20 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 1ejx h ALA 1445CO 0.60 0.98 -0.06 0.99 0.00 0.00 0.00 179.25 181.77 1ejx s THR 1446N -2.69 -0.01 -0.26 0.00 2.01 -0.66 -4.20 115.64 109.84 1ejx s THR 1446Ca -0.04 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1ejx s THR 1446Cb 0.07 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.76 1ejx s THR 1446CO 0.88 0.01 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.07 1ejx s VAL 1447N 1.12 2.75 -0.19 3.82 1.01 -0.75 -0.35 120.40 127.81 1ejx s VAL 1447Ca -0.06 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.62 1ejx s VAL 1447Cb -0.06 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1ejx s VAL 1447CO -0.11 0.10 0.10 -0.63 0.00 0.00 0.00 175.10 174.56 1ejx s ILE 1448N 1.27 5.10 -0.22 2.22 1.01 0.11 -0.52 121.20 130.17 1ejx s ILE 1448Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1ejx s ILE 1448Cb -0.18 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1ejx s ILE 1448CO -0.04 0.46 -0.10 -0.54 0.00 0.00 0.00 174.94 174.72 1ejx s LYS 1449N 0.29 3.04 -1.63 2.79 -0.14 0.17 -2.02 119.74 122.24 1ejx s LYS 1449Ca 0.06 -0.83 -0.16 0.00 -1.36 0.00 0.00 55.97 53.68 1ejx s LYS 1449Cb -0.12 -2.86 0.12 0.00 -1.68 0.00 0.00 37.83 33.30 1ejx s LYS 1449CO -0.01 -0.28 0.84 0.41 -0.76 0.00 0.00 175.35 175.55 1ejx n GLY 1450N 4.69 -0.45 1.14 -3.33 0.00 -0.68 -1.52 105.19 105.04 1ejx n GLY 1450Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ejx n GLY 1450CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejx n GLY 1451N -1.53 1.81 3.56 -0.02 0.00 -0.41 -4.32 105.19 104.28 1ejx n GLY 1451Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ejx n GLY 1451CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ejx s MET 1452N -0.66 2.12 0.02 1.61 -1.94 -0.57 -4.99 119.30 114.89 1ejx s MET 1452Ca 0.00 -1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 52.66 1ejx s MET 1452Cb 0.00 -2.29 -0.06 0.00 2.01 0.00 0.00 34.83 34.49 1ejx s MET 1452CO 0.00 0.52 1.33 0.42 -0.01 0.00 0.00 175.02 177.28 1ejx s ILE 1453N -1.17 3.79 -0.17 2.53 1.01 -1.26 0.42 121.20 126.36 1ejx s ILE 1453Ca 0.20 1.21 0.16 0.00 0.00 0.00 0.00 60.65 62.22 1ejx s ILE 1453Cb -0.11 -3.78 -0.22 0.00 0.01 0.00 0.00 42.46 38.36 1ejx s ILE 1453CO 0.12 0.03 0.07 0.00 0.00 0.00 0.00 174.94 175.17 1ejx n ALA 1454N 4.85 1.61 -3.42 9.38 0.00 0.32 -0.95 120.51 132.31 1ejx n ALA 1454Ca 0.12 -1.13 -0.16 0.00 0.00 0.00 0.00 53.44 52.27 1ejx n ALA 1454Cb 0.44 -0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 1ejx n ALA 1454CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1ejx s ILE 1455N -2.46 0.02 0.10 0.00 2.07 -1.19 -0.55 121.20 119.18 1ejx s ILE 1455Ca -0.09 -0.17 -0.26 0.00 -1.41 0.00 0.00 60.65 58.73 1ejx s ILE 1455Cb 0.05 -0.85 0.08 0.00 0.13 0.00 0.00 42.46 41.87 1ejx s ILE 1455CO 0.72 -0.09 0.82 0.00 -1.91 0.00 0.00 174.94 174.48 1ejx s ALA 1456N -1.13 -1.68 0.39 1.50 0.00 -1.15 -1.82 121.76 117.88 1ejx s ALA 1456Ca -0.11 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1ejx s ALA 1456Cb -0.02 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 1ejx s ALA 1456CO 0.07 -0.82 1.22 -2.14 0.00 0.00 0.00 175.76 174.09 1ejx s PRO 1457N -3.38 4.06 -0.06 0.00 0.02 -1.26 -1.94 135.00 132.43 1ejx s PRO 1457Ca 0.06 1.97 -0.02 0.00 0.02 0.00 0.00 61.00 63.03 1ejx s PRO 1457Cb -0.02 -2.74 0.04 0.00 0.02 0.00 0.00 34.50 31.80 1ejx s PRO 1457CO -0.06 -0.36 0.12 1.41 -0.33 0.00 0.00 177.00 177.79 1ejx s MET 1458N -2.22 0.06 0.15 5.54 1.75 0.40 -4.86 119.30 120.12 1ejx s MET 1458Ca 0.56 0.35 -0.02 0.00 -1.25 0.00 0.00 55.69 55.33 1ejx s MET 1458Cb -0.34 -0.20 0.03 0.00 2.84 0.00 0.00 34.83 37.16 1ejx s MET 1458CO 0.43 -0.18 0.20 0.41 -0.65 0.00 0.00 175.02 175.23 1ejx n GLY 1459N 4.27 -0.79 3.59 2.11 0.00 0.92 -2.16 105.19 113.14 1ejx n GLY 1459Ca -0.26 -1.74 -0.61 0.00 0.00 0.00 0.00 46.02 43.42 1ejx n GLY 1459CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ejx n ASP 1460N -3.10 1.58 0.09 1.61 2.03 -0.53 -4.83 116.55 113.40 1ejx n ASP 1460Ca 0.03 0.95 0.10 0.00 0.52 0.00 0.00 54.79 56.38 1ejx n ASP 1460Cb 0.09 -1.01 0.57 0.00 -0.72 0.00 0.00 41.12 40.05 1ejx n ASP 1460CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ejx h ILE 1461N 5.78 0.96 -0.01 5.18 1.08 -1.92 -2.11 117.51 126.47 1ejx h ILE 1461Ca -0.35 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1ejx h ILE 1461Cb 1.36 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1ejx h ILE 1461CO 1.00 0.04 -0.16 -3.20 -0.69 0.00 0.00 178.15 175.15 1ejx n ASN 1462N -4.49 0.82 -4.77 1.72 5.15 -1.26 -4.97 115.26 107.46 1ejx n ASN 1462Ca 0.03 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.87 1ejx n ASN 1462Cb 0.22 0.03 0.10 0.00 -0.53 0.00 0.00 39.78 39.60 1ejx n ASN 1462CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ejx s ALA 1463N -2.41 2.06 0.01 5.20 0.00 -0.80 -4.94 121.76 120.88 1ejx s ALA 1463Ca 0.29 -0.09 0.30 0.00 0.00 0.00 0.00 51.96 52.46 1ejx s ALA 1463Cb 0.20 -3.16 1.11 0.00 0.00 0.00 0.00 23.12 21.27 1ejx s ALA 1463CO 0.47 -1.89 1.89 0.66 0.00 0.00 0.00 175.76 176.90 1ejx h SER 1464N -1.21 0.00 -5.51 0.00 4.64 -1.93 -3.45 113.55 106.10 1ejx h SER 1464Ca -0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.64 1ejx h SER 1464Cb 1.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1ejx h SER 1464CO 0.57 0.04 -0.61 0.27 -0.87 0.00 0.00 176.83 176.22 1ejx s ILE 1465N -3.58 0.04 -2.34 0.95 -4.36 -1.26 -5.05 121.20 105.60 1ejx s ILE 1465Ca 0.02 -1.94 0.28 0.00 -0.26 0.00 0.00 60.65 58.76 1ejx s ILE 1465Cb 0.08 -2.29 0.64 0.00 1.25 0.00 0.00 42.46 42.15 1ejx s ILE 1465CO 0.58 -0.20 1.86 -0.81 0.24 0.00 0.00 174.94 176.62 1ejx n PRO 1466N -0.20 1.47 0.05 0.37 -0.04 -1.26 -4.14 135.00 131.26 1ejx n PRO 1466Ca -0.01 -0.69 0.09 0.00 -0.04 0.00 0.00 63.50 62.85 1ejx n PRO 1466Cb 0.65 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1ejx n PRO 1466CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ejx n THR 1467N -0.16 0.50 -1.53 0.52 -2.24 -1.26 -0.05 114.28 110.05 1ejx n THR 1467Ca 0.20 -0.56 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 1ejx n THR 1467Cb 0.28 -0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1ejx n THR 1467CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ejx s PRO 1468N -3.34 2.48 0.64 -0.78 0.02 -1.26 -4.77 135.00 128.00 1ejx s PRO 1468Ca -0.04 1.39 -0.15 0.00 0.02 0.00 0.00 61.00 62.23 1ejx s PRO 1468Cb 0.11 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 1ejx s PRO 1468CO 0.83 -1.50 1.09 -0.65 -0.33 0.00 0.00 177.00 176.44 1ejx s GLN 1469N -4.30 2.94 0.14 5.54 -1.52 -1.26 -1.46 119.66 119.75 1ejx s GLN 1469Ca 0.66 1.31 -0.27 0.00 -1.95 0.00 0.00 55.36 55.12 1ejx s GLN 1469Cb -0.21 -1.97 -0.07 0.00 -0.22 0.00 0.00 33.01 30.53 1ejx s GLN 1469CO 0.46 -1.13 0.83 -1.25 -0.25 0.00 0.00 175.29 173.96 1ejx s PRO 1470N -4.15 4.62 -0.24 2.91 0.04 -1.26 -4.31 135.00 132.60 1ejx s PRO 1470Ca 0.65 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 1ejx s PRO 1470Cb -0.19 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1ejx s PRO 1470CO 0.41 0.44 0.11 0.08 0.04 0.00 0.00 177.00 178.08 1ejx s VAL 1471N -0.71 4.81 0.15 -0.36 1.01 -1.26 -3.63 120.40 120.40 1ejx s VAL 1471Ca 0.39 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1ejx s VAL 1471Cb -0.23 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1ejx s VAL 1471CO 0.27 0.34 0.37 -1.38 0.00 0.00 0.00 175.10 174.70 1ejx s HIS 1472N 1.35 0.03 0.06 5.22 -3.43 -0.92 -4.84 115.29 112.76 1ejx s HIS 1472Ca 0.06 -0.38 -0.31 0.00 -0.80 0.00 0.00 55.06 53.63 1ejx s HIS 1472Cb -0.15 0.16 -0.08 0.00 -1.43 0.00 0.00 32.58 31.09 1ejx s HIS 1472CO 0.05 -0.74 1.54 0.71 -2.00 0.00 0.00 174.74 174.30 1ejx s TYR 1473N -3.87 2.72 -0.00 0.38 1.51 -1.26 -0.45 117.35 116.37 1ejx s TYR 1473Ca 0.08 0.58 0.03 0.00 -1.01 0.00 0.00 57.07 56.76 1ejx s TYR 1473Cb 0.02 -3.83 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 1ejx s TYR 1473CO -0.06 -3.21 -0.10 1.03 -1.11 0.00 0.00 175.55 172.09 1ejx s ARG 1474N 2.23 0.81 0.36 -0.62 0.52 -0.82 -4.92 118.95 116.51 1ejx s ARG 1474Ca 0.69 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 55.24 1ejx s ARG 1474Cb -0.37 -0.78 -0.10 0.00 0.52 0.00 0.00 34.95 34.22 1ejx s ARG 1474CO 0.30 0.21 1.30 -1.25 0.02 0.00 0.00 175.30 175.88 1ejx s PRO 1475N -0.32 4.20 0.00 3.54 0.04 -1.26 -2.93 135.00 138.27 1ejx s PRO 1475Ca 0.03 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1ejx s PRO 1475Cb -0.04 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1ejx s PRO 1475CO -0.00 -0.31 0.00 -1.33 0.04 0.00 0.00 177.00 175.40 1ejx n MET 1476N 0.52 1.81 0.20 4.56 2.81 0.28 -4.94 117.12 122.36 1ejx n MET 1476Ca 0.01 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.99 1ejx n MET 1476Cb 0.43 0.00 0.61 0.00 -0.71 0.00 0.00 33.22 33.55 1ejx n MET 1476CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1ejx h PHE 1477N 0.40 0.08 0.00 2.03 -1.00 -1.84 -1.43 116.94 115.18 1ejx h PHE 1477Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ejx h PHE 1477Cb 0.00 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1ejx h PHE 1477CO 0.00 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 177.16 1ejx n GLY 1478N -1.54 -0.93 0.95 -1.45 0.00 -0.12 -2.59 105.19 99.51 1ejx n GLY 1478Ca -0.01 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1ejx n GLY 1478CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx n ALA 1479N -1.28 2.45 -2.77 4.61 0.00 -0.54 -3.75 120.51 119.24 1ejx n ALA 1479Ca 0.09 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.45 1ejx n ALA 1479Cb 0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1ejx n ALA 1479CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ejx s LEU 1480N -1.85 3.88 0.00 0.00 1.43 -1.07 -4.78 118.68 116.29 1ejx s LEU 1480Ca 0.28 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1ejx s LEU 1480Cb 0.20 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1ejx s LEU 1480CO 0.29 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1ejx n GLY 1481N 4.31 1.24 0.23 -3.19 0.00 -1.26 -1.12 105.19 105.39 1ejx n GLY 1481Ca -0.16 0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1ejx n GLY 1481CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ejx h SER 1482N 0.00 0.00 -0.07 1.61 4.64 -1.96 -2.00 113.55 115.77 1ejx h SER 1482Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1ejx h SER 1482Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1ejx h SER 1482CO 0.00 0.00 -0.81 0.00 -0.87 0.00 0.00 176.83 175.15 1ejx h ALA 1483N 2.08 0.32 -0.40 5.18 0.00 -1.54 -2.46 119.26 122.45 1ejx h ALA 1483Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1ejx h ALA 1483Cb 0.55 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ejx h ALA 1483CO 0.00 0.70 0.21 -0.09 0.00 0.00 0.00 179.25 180.07 1ejx h ARG 1484N 0.49 0.56 -0.68 0.00 2.43 -0.76 -1.84 114.38 114.57 1ejx h ARG 1484Ca -0.06 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1ejx h ARG 1484Cb 1.44 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1ejx h ARG 1484CO 0.16 0.46 0.45 0.45 -1.51 0.00 0.00 179.97 179.98 1ejx h HIS 1485N 0.51 0.77 0.00 2.20 3.86 -1.34 -1.07 115.15 120.08 1ejx h HIS 1485Ca 0.14 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1ejx h HIS 1485Cb 0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1ejx h HIS 1485CO -0.02 0.44 -0.46 1.25 0.86 0.00 0.00 177.93 180.00 1ejx h HIS 1486N 0.79 0.00 -0.17 2.45 -0.00 -0.91 -2.03 115.15 115.27 1ejx h HIS 1486Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1ejx h HIS 1486Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1ejx h HIS 1486CO -0.00 0.46 0.00 0.00 -0.00 0.00 0.00 177.93 178.39 1ejx s ARG 1488N -1.72 1.51 -0.00 0.00 1.70 -0.74 -3.25 118.95 116.44 1ejx s ARG 1488Ca 0.31 -1.72 0.07 0.00 -0.47 0.00 0.00 55.73 53.92 1ejx s ARG 1488Cb 0.20 -1.26 -0.02 0.00 -0.57 0.00 0.00 34.95 33.30 1ejx s ARG 1488CO 0.29 0.13 -0.23 -0.51 -1.08 0.00 0.00 175.30 173.91 1ejx s LEU 1489N -3.42 2.29 -0.23 -1.89 1.43 -1.26 -3.09 118.68 112.52 1ejx s LEU 1489Ca 0.27 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1ejx s LEU 1489Cb 0.01 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1ejx s LEU 1489CO 0.11 0.30 0.10 -0.89 0.23 0.00 0.00 176.35 176.20 1ejx s THR 1490N -0.72 4.74 -0.05 5.49 2.01 0.47 -1.78 115.64 125.80 1ejx s THR 1490Ca 0.11 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1ejx s THR 1490Cb -0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1ejx s THR 1490CO 0.01 0.36 0.73 -0.36 -0.69 0.00 0.00 174.62 174.67 1ejx s PHE 1491N 1.20 3.60 0.31 4.92 0.40 -0.45 -1.40 117.98 126.56 1ejx s PHE 1491Ca 0.05 1.31 0.07 0.00 -0.60 0.00 0.00 56.93 57.76 1ejx s PHE 1491Cb -0.14 -2.83 -0.06 0.00 0.51 0.00 0.00 43.02 40.49 1ejx s PHE 1491CO 0.04 0.10 -0.04 -0.51 0.70 0.00 0.00 175.22 175.51 1ejx s LEU 1492N 0.71 2.52 0.79 -0.37 1.43 -0.23 -4.53 118.68 119.00 1ejx s LEU 1492Ca 0.39 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1ejx s LEU 1492Cb -0.18 -0.68 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1ejx s LEU 1492CO 0.20 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.56 1ejx s SER 1493N -3.50 4.54 0.28 2.29 1.04 -1.23 -2.09 113.70 115.03 1ejx s SER 1493Ca 0.31 1.45 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 1ejx s SER 1493Cb 0.05 -2.20 0.39 0.00 0.10 0.00 0.00 66.02 64.35 1ejx s SER 1493CO 0.14 -1.96 1.85 1.56 0.98 0.00 0.00 173.24 175.81 1ejx h GLN 1494N -1.08 0.91 -0.33 4.02 4.20 -1.81 -1.74 115.11 119.29 1ejx h GLN 1494Ca -0.46 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.08 1ejx h GLN 1494Cb 1.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1ejx h GLN 1494CO 0.57 0.76 0.16 0.00 -0.67 0.00 0.00 178.83 179.65 1ejx h ALA 1495N 1.35 0.43 -0.58 3.87 0.00 -1.86 -0.78 119.26 121.69 1ejx h ALA 1495Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ejx h ALA 1495Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ejx h ALA 1495CO -0.02 -0.01 0.19 0.00 0.00 0.00 0.00 179.25 179.42 1ejx h ALA 1496N 1.01 0.76 -0.13 0.00 0.00 -1.56 -1.54 119.26 117.79 1ejx h ALA 1496Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ejx h ALA 1496Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ejx h ALA 1496CO -0.01 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.73 1ejx h ALA 1497N 1.06 0.17 0.00 0.00 0.00 -1.21 -1.26 119.26 118.02 1ejx h ALA 1497Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ejx h ALA 1497Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ejx h ALA 1497CO -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 179.25 178.79 1ejx h ALA 1498N 1.04 1.55 -0.01 0.00 0.00 -0.82 -2.03 119.26 118.99 1ejx h ALA 1498Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ejx h ALA 1498Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ejx h ALA 1498CO -0.01 0.14 -0.09 0.09 0.00 0.00 0.00 179.25 179.38 1ejx n ASN 1499N -4.02 1.26 -2.48 0.00 3.02 -0.61 -4.96 115.26 107.46 1ejx n ASN 1499Ca -0.02 -1.25 -0.15 0.00 -0.03 0.00 0.00 54.58 53.13 1ejx n ASN 1499Cb 0.20 0.04 0.05 0.00 -0.61 0.00 0.00 39.78 39.46 1ejx n ASN 1499CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ejx n GLY 1500N 1.23 -0.01 0.34 7.41 0.00 -0.76 -4.91 105.19 108.48 1ejx n GLY 1500Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1ejx n GLY 1500CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ejx h VAL 1501N -1.69 1.21 -0.60 1.61 2.07 -1.47 0.10 116.25 117.48 1ejx h VAL 1501Ca -0.36 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1ejx h VAL 1501Cb 1.23 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1ejx h VAL 1501CO 0.35 0.23 0.33 0.00 0.02 0.00 0.00 177.57 178.50 1ejx h ALA 1502N 1.46 0.79 -0.06 1.67 0.00 -1.89 0.73 119.26 121.95 1ejx h ALA 1502Ca 0.25 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1ejx h ALA 1502Cb 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ejx h ALA 1502CO -0.04 0.01 -0.74 0.93 0.00 0.00 0.00 179.25 179.40 1ejx h GLU 1503N 0.63 0.61 -0.80 0.00 3.07 -1.78 0.15 114.58 116.45 1ejx h GLU 1503Ca 0.26 -0.58 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1ejx h GLU 1503Cb 0.14 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1ejx h GLU 1503CO -0.16 1.19 0.46 -0.09 -1.40 0.00 0.00 179.01 179.01 1ejx h ARG 1504N 0.24 1.09 -0.08 2.33 2.43 -0.47 -1.84 114.38 118.08 1ejx h ARG 1504Ca -0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1ejx h ARG 1504Cb 1.40 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ejx h ARG 1504CO 0.15 0.78 0.00 1.28 -1.51 0.00 0.00 179.97 180.67 1ejx n LEU 1505N -4.36 1.23 -3.86 3.80 4.77 0.22 -4.93 117.00 113.87 1ejx n LEU 1505Ca 0.08 -0.47 -0.25 0.00 -0.03 0.00 0.00 56.01 55.34 1ejx n LEU 1505Cb 0.08 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1ejx n LEU 1505CO 0.38 0.24 -0.08 -0.46 -1.33 0.00 0.00 177.39 176.13 1ejx n ASN 1506N -0.00 -1.77 -4.77 -1.43 6.94 -0.69 -4.90 115.26 108.63 1ejx n ASN 1506Ca 0.18 -0.88 -0.40 0.00 -0.02 0.00 0.00 54.58 53.45 1ejx n ASN 1506Cb 0.28 -3.63 -0.03 0.00 -2.36 0.00 0.00 39.78 34.05 1ejx n ASN 1506CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ejx s LEU 1507N -6.93 4.45 0.06 -4.53 1.43 0.43 -4.92 118.68 108.68 1ejx s LEU 1507Ca 0.19 2.54 0.19 0.00 -1.03 0.00 0.00 54.13 56.02 1ejx s LEU 1507Cb -0.10 -3.67 -0.14 0.00 0.03 0.00 0.00 46.19 42.32 1ejx s LEU 1507CO 0.85 -0.43 0.77 0.54 0.23 0.00 0.00 176.35 178.31 1ejx n ARG 1508N 0.86 0.63 -1.68 1.70 3.00 -1.26 -4.87 116.66 115.04 1ejx n ARG 1508Ca -0.00 0.12 -0.30 0.00 -0.01 0.00 0.00 57.85 57.66 1ejx n ARG 1508Cb 0.43 -1.75 0.08 0.00 0.00 0.00 0.00 32.46 31.22 1ejx n ARG 1508CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ejx s SER 1509N -5.48 4.71 0.53 0.55 0.01 -1.26 -4.75 113.70 108.01 1ejx s SER 1509Ca -0.04 1.19 -0.22 0.00 1.31 0.00 0.00 55.95 58.19 1ejx s SER 1509Cb 0.09 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 1ejx s SER 1509CO 0.82 -1.82 1.31 0.00 0.41 0.00 0.00 173.24 173.97 1ejx s ALA 1510N -3.26 2.84 -0.09 1.44 0.00 -0.76 -4.78 121.76 117.14 1ejx s ALA 1510Ca 0.60 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.81 1ejx s ALA 1510Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1ejx s ALA 1510CO 0.53 -1.22 -0.12 0.42 0.00 0.00 0.00 175.76 175.37 1ejx s ILE 1511N -1.36 3.19 0.22 0.00 -1.09 -1.26 -0.40 121.20 120.50 1ejx s ILE 1511Ca 0.70 -0.65 0.11 0.00 -2.23 0.00 0.00 60.65 58.58 1ejx s ILE 1511Cb -0.38 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1ejx s ILE 1511CO 0.44 0.56 -0.20 0.00 -1.23 0.00 0.00 174.94 174.51 1ejx s ALA 1512N -0.29 2.47 -0.09 9.38 0.00 -0.49 -4.91 121.76 127.82 1ejx s ALA 1512Ca 0.03 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.32 1ejx s ALA 1512Cb -0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1ejx s ALA 1512CO 0.03 0.30 -0.24 0.08 0.00 0.00 0.00 175.76 175.93 1ejx s VAL 1513N -2.20 2.09 0.42 0.00 1.01 -1.26 -1.07 120.40 119.39 1ejx s VAL 1513Ca 0.24 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 1ejx s VAL 1513Cb -0.06 -1.79 -0.11 0.00 0.00 0.00 0.00 36.38 34.43 1ejx s VAL 1513CO 0.11 0.56 0.93 0.68 0.00 0.00 0.00 175.10 177.38 1ejx s VAL 1514N 0.21 4.42 0.12 2.92 -7.23 -0.89 -4.92 120.40 115.04 1ejx s VAL 1514Ca -0.15 1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 61.22 1ejx s VAL 1514Cb -0.17 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.23 1ejx s VAL 1514CO 0.08 -0.30 0.61 -1.59 -0.31 0.00 0.00 175.10 173.59 1ejx s LYS 1515N -3.14 1.24 -0.35 4.82 -2.85 -0.43 -4.48 119.74 114.55 1ejx s LYS 1515Ca 0.61 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 1ejx s LYS 1515Cb -0.09 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1ejx s LYS 1515CO 0.14 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.48 1ejx n GLY 1516N -0.16 0.31 0.01 0.59 0.00 -1.26 -4.33 105.19 100.35 1ejx n GLY 1516Ca -0.17 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.22 1ejx n GLY 1516CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejx n ARG 1518N -1.61 1.41 0.18 0.00 5.12 -1.26 -4.59 116.66 115.92 1ejx n ARG 1518Ca 0.07 -0.05 0.06 0.00 -1.93 0.00 0.00 57.85 56.00 1ejx n ARG 1518Cb 0.35 -1.30 0.23 0.00 -1.16 0.00 0.00 32.46 30.58 1ejx n ARG 1518CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1ejx h THR 1519N 0.00 0.72 -3.93 0.55 1.35 -1.99 -3.42 112.91 106.19 1ejx h THR 1519Ca -0.20 -1.67 -0.51 0.00 -0.55 0.00 0.00 66.41 63.48 1ejx h THR 1519Cb 1.28 2.09 0.06 0.00 -1.73 0.00 0.00 68.15 69.86 1ejx h THR 1519CO 0.01 0.35 0.54 0.54 -0.25 0.00 0.00 175.52 176.72 1ejx s VAL 1520N -3.32 2.98 0.33 6.82 0.11 -1.24 -5.03 120.40 121.05 1ejx s VAL 1520Ca 0.02 0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 59.92 1ejx s VAL 1520Cb 0.09 -3.49 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1ejx s VAL 1520CO 0.69 0.10 0.41 0.00 -3.33 0.00 0.00 175.10 172.98 1ejx s GLN 1521N -2.22 1.81 0.30 1.54 -2.07 -1.26 -4.92 119.66 112.85 1ejx s GLN 1521Ca 0.56 -1.78 0.02 0.00 -1.82 0.00 0.00 55.36 52.33 1ejx s GLN 1521Cb -0.33 0.41 0.57 0.00 -1.09 0.00 0.00 33.01 32.56 1ejx s GLN 1521CO 0.42 -0.72 1.88 -0.22 -1.32 0.00 0.00 175.29 175.33 1ejx h LYS 1522N 2.16 0.96 0.00 9.60 1.63 -1.05 -0.61 116.57 129.26 1ejx h LYS 1522Ca -0.28 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1ejx h LYS 1522Cb 1.24 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1ejx h LYS 1522CO 0.39 0.63 -0.01 0.00 -3.45 0.00 0.00 179.45 177.01 1ejx h ALA 1523N 1.53 1.09 -0.00 5.00 0.00 -1.83 -2.42 119.26 122.61 1ejx h ALA 1523Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ejx h ALA 1523Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ejx h ALA 1523CO -0.20 0.01 -0.19 -0.25 0.00 0.00 0.00 179.25 178.63 1ejx n ASP 1524N -3.22 0.55 -4.63 0.00 8.00 -0.24 -4.84 116.55 112.18 1ejx n ASP 1524Ca -0.02 -0.49 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 1ejx n ASP 1524Cb 0.12 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 1ejx n ASP 1524CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ejx s MET 1525N -2.61 3.79 0.07 -1.24 -1.94 -0.91 -4.93 119.30 111.53 1ejx s MET 1525Ca 0.24 1.45 -0.33 0.00 -1.71 0.00 0.00 55.69 55.34 1ejx s MET 1525Cb 0.19 -3.99 -0.12 0.00 2.01 0.00 0.00 34.83 32.93 1ejx s MET 1525CO 0.52 -1.29 1.78 0.28 -0.01 0.00 0.00 175.02 176.31 1ejx n VAL 1526N 6.45 0.34 -0.76 -6.03 0.31 -1.26 -1.99 118.33 115.39 1ejx n VAL 1526Ca 0.17 -0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ejx n VAL 1526Cb 0.46 -1.90 -0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1ejx n VAL 1526CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ejx n HIS 1527N 5.38 -0.01 -2.91 3.52 8.25 -1.26 -4.80 115.22 123.39 1ejx n HIS 1527Ca 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1ejx n HIS 1527Cb 0.33 -1.65 0.00 0.00 1.12 0.00 0.00 29.99 29.79 1ejx n HIS 1527CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ejx n ASN 1528N -0.00 1.27 -0.77 0.41 3.02 -0.84 -4.61 115.26 113.74 1ejx n ASN 1528Ca -0.00 -2.89 0.07 0.00 -0.03 0.00 0.00 54.58 51.73 1ejx n ASN 1528Cb 0.38 -0.57 0.19 0.00 -0.61 0.00 0.00 39.78 39.17 1ejx n ASN 1528CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ejx n SER 1529N 0.09 3.25 -4.74 6.41 3.41 -1.06 -4.56 113.62 116.42 1ejx n SER 1529Ca 0.17 -2.21 -0.42 0.00 -0.26 0.00 0.00 58.87 56.15 1ejx n SER 1529Cb 0.74 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1ejx n SER 1529CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ejx s LEU 1530N -1.39 4.38 -0.78 1.04 2.96 0.07 -4.66 118.68 120.30 1ejx s LEU 1530Ca 0.29 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 56.88 1ejx s LEU 1530Cb 0.18 -3.62 0.20 0.00 0.50 0.00 0.00 46.19 43.45 1ejx s LEU 1530CO 0.16 -0.73 0.66 0.00 -1.32 0.00 0.00 176.35 175.12 1ejx n GLN 1531N 2.71 2.29 -1.66 1.98 6.02 -1.26 -4.30 117.38 123.15 1ejx n GLN 1531Ca 0.08 -4.51 -0.32 0.00 -0.01 0.00 0.00 57.00 52.24 1ejx n GLN 1531Cb 0.40 -2.34 0.05 0.00 1.02 0.00 0.00 30.24 29.37 1ejx n GLN 1531CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ejx s PRO 1532N -1.60 2.87 -1.08 -1.09 0.04 -1.26 -4.91 135.00 127.98 1ejx s PRO 1532Ca 0.28 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1ejx s PRO 1532Cb -0.03 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.70 1ejx s PRO 1532CO -0.13 -1.16 1.27 -0.80 0.04 0.00 0.00 177.00 176.21 1ejx s ASN 1533N -3.24 6.92 -0.10 6.66 0.01 -1.26 -4.33 114.94 119.59 1ejx s ASN 1533Ca 0.62 -2.68 -0.09 0.00 -0.71 0.00 0.00 52.86 49.99 1ejx s ASN 1533Cb -0.16 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1ejx s ASN 1533CO 0.48 -0.82 0.20 -0.51 -1.51 0.00 0.00 177.10 174.94 1ejx s ILE 1534N 1.69 5.40 0.19 0.60 2.07 -1.26 -1.09 121.20 128.81 1ejx s ILE 1534Ca 0.37 0.35 0.05 0.00 -1.41 0.00 0.00 60.65 60.01 1ejx s ILE 1534Cb -0.04 -3.47 -0.05 0.00 0.13 0.00 0.00 42.46 39.02 1ejx s ILE 1534CO -0.04 0.60 -0.07 0.42 -1.91 0.00 0.00 174.94 173.94 1ejx s THR 1535N -0.95 1.22 -0.08 4.00 -4.23 0.20 -4.87 115.64 110.93 1ejx s THR 1535Ca 0.17 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1ejx s THR 1535Cb -0.13 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1ejx s THR 1535CO 0.06 -0.55 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.81 1ejx s VAL 1536N -3.30 0.98 0.00 2.29 1.01 -1.26 -1.12 120.40 119.01 1ejx s VAL 1536Ca 0.22 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1ejx s VAL 1536Cb 0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1ejx s VAL 1536CO 0.05 0.33 1.48 -0.62 0.00 0.00 0.00 175.10 176.34 1ejx s ASP 1537N 1.09 6.78 0.43 3.32 2.15 -0.27 -4.91 116.67 125.26 1ejx s ASP 1537Ca -0.07 2.19 0.16 0.00 0.43 0.00 0.00 52.55 55.26 1ejx s ASP 1537Cb -0.14 -2.56 1.07 0.00 -0.30 0.00 0.00 42.92 40.99 1ejx s ASP 1537CO -0.01 -0.78 1.93 0.00 -0.17 0.00 0.00 175.17 176.14 1ejx h ALA 1538N 8.13 2.12 0.09 3.66 0.00 -1.96 0.35 119.26 131.65 1ejx h ALA 1538Ca -0.39 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 1ejx h ALA 1538Cb 1.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ejx h ALA 1538CO 0.92 -0.32 -1.73 1.96 0.00 0.00 0.00 179.25 180.08 1ejx h GLN 1539N 0.39 0.18 0.00 0.00 1.08 -1.99 -3.42 115.11 111.36 1ejx h GLN 1539Ca 0.35 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ejx h GLN 1539Cb 0.82 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1ejx h GLN 1539CO -0.10 1.15 -1.92 0.25 -0.95 0.00 0.00 178.83 177.26 1ejx n THR 1540N -3.81 0.02 -1.00 -0.54 -2.24 -1.21 -4.97 114.28 100.52 1ejx n THR 1540Ca -0.32 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1ejx n THR 1540Cb 0.93 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1ejx n THR 1540CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ejx n TYR 1541N -2.23 0.00 -1.93 4.78 4.01 0.12 -4.92 117.16 116.99 1ejx n TYR 1541Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 1ejx n TYR 1541Cb 0.56 -1.30 0.01 0.00 -0.31 0.00 0.00 39.34 38.30 1ejx n TYR 1541CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ejx s GLU 1542N -1.30 3.61 -0.15 -0.72 2.02 -1.26 -4.33 118.70 116.58 1ejx s GLU 1542Ca 0.00 2.20 -0.05 0.00 0.02 0.00 0.00 54.97 57.13 1ejx s GLU 1542Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1ejx s GLU 1542CO 0.00 -0.80 0.04 0.08 0.02 0.00 0.00 175.26 174.61 1ejx s VAL 1543N -1.30 4.65 0.04 2.63 1.01 -1.26 -1.11 120.40 125.05 1ejx s VAL 1543Ca 0.63 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1ejx s VAL 1543Cb -0.39 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1ejx s VAL 1543CO 0.49 0.52 -0.10 -0.13 0.00 0.00 0.00 175.10 175.87 1ejx s ARG 1544N -0.15 0.70 -0.17 2.72 0.52 -0.27 -0.52 118.95 121.78 1ejx s ARG 1544Ca 0.06 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1ejx s ARG 1544Cb -0.12 -0.62 0.03 0.00 0.52 0.00 0.00 34.95 34.76 1ejx s ARG 1544CO 0.01 0.14 -0.12 0.08 0.02 0.00 0.00 175.30 175.44 1ejx s VAL 1545N -0.95 1.53 -1.45 3.52 1.01 -0.48 0.58 120.40 124.16 1ejx s VAL 1545Ca -0.03 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ejx s VAL 1545Cb -0.08 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1ejx s VAL 1545CO 0.01 0.31 0.93 0.47 0.00 0.00 0.00 175.10 176.82 1ejx n ASP 1546N 4.76 -5.74 0.00 3.32 8.00 -0.25 -1.51 116.55 125.12 1ejx n ASP 1546Ca -0.15 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1ejx n ASP 1546Cb 0.48 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 1ejx n ASP 1546CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ejx n GLY 1547N -1.74 2.84 3.72 0.44 0.00 -1.26 -5.03 105.19 104.16 1ejx n GLY 1547Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1ejx n GLY 1547CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ejx s GLU 1548N -0.16 4.43 0.13 1.61 2.02 -0.57 -4.97 118.70 121.19 1ejx s GLU 1548Ca 0.00 0.88 -0.31 0.00 0.02 0.00 0.00 54.97 55.56 1ejx s GLU 1548Cb 0.00 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.71 1ejx s GLU 1548CO 0.00 0.11 1.49 -1.17 0.02 0.00 0.00 175.26 175.70 1ejx s LEU 1549N 0.65 4.37 -0.30 1.80 2.96 -1.26 -1.39 118.68 125.51 1ejx s LEU 1549Ca 0.37 2.45 -0.10 0.00 -0.22 0.00 0.00 54.13 56.63 1ejx s LEU 1549Cb -0.18 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1ejx s LEU 1549CO 0.18 -0.75 0.16 -0.63 -1.32 0.00 0.00 176.35 174.00 1ejx s ILE 1550N 1.31 4.84 0.33 6.68 -1.09 0.33 -4.94 121.20 128.64 1ejx s ILE 1550Ca 0.68 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.79 1ejx s ILE 1550Cb -0.40 -3.39 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1ejx s ILE 1550CO 0.31 0.15 0.62 0.28 -1.23 0.00 0.00 174.94 175.07 1ejx s THR 1551N 1.67 0.00 0.27 2.92 -1.32 -1.26 -4.17 115.64 113.74 1ejx s THR 1551Ca 0.06 -1.26 -0.21 0.00 -1.21 0.00 0.00 61.69 59.07 1ejx s THR 1551Cb -0.16 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1ejx s THR 1551CO 0.08 0.00 0.79 -0.94 -2.21 0.00 0.00 174.62 172.34 1ejx s SER 1552N -3.08 -0.19 -0.09 8.08 1.04 -1.24 -4.84 113.70 113.38 1ejx s SER 1552Ca 0.21 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 1ejx s SER 1552Cb -0.03 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1ejx s SER 1552CO 0.13 -1.30 0.13 -1.61 0.98 0.00 0.00 173.24 171.57 1ejx s GLU 1553N -3.48 3.36 0.16 4.02 0.41 -1.26 -4.86 118.70 117.05 1ejx s GLU 1553Ca 0.12 -0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1ejx s GLU 1553Cb -0.05 -3.10 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 1ejx s GLU 1553CO 0.07 0.74 1.02 -1.25 -0.49 0.00 0.00 175.26 175.35 1ejx s PRO 1554N -1.22 4.67 0.25 0.39 0.04 -1.26 -4.86 135.00 133.01 1ejx s PRO 1554Ca 0.17 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1ejx s PRO 1554Cb -0.12 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 1ejx s PRO 1554CO 0.07 0.19 1.31 0.00 0.04 0.00 0.00 177.00 178.61 1ejx s ALA 1555N -0.26 3.52 0.01 8.56 0.00 -0.04 -4.49 121.76 129.07 1ejx s ALA 1555Ca 0.47 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 1ejx s ALA 1555Cb -0.26 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.23 1ejx s ALA 1555CO 0.32 -0.56 1.16 0.38 0.00 0.00 0.00 175.76 177.06 1ejx h ASP 1556N 4.57 -0.68 -4.56 0.00 2.03 -1.94 0.36 116.42 116.19 1ejx h ASP 1556Ca -0.46 -0.03 -0.19 0.00 -0.73 0.00 0.00 57.03 55.62 1ejx h ASP 1556Cb 1.22 0.18 -0.23 0.00 -0.83 0.00 0.00 39.33 39.66 1ejx h ASP 1556CO 0.73 -0.31 -0.70 -0.69 -1.03 0.00 0.00 179.24 177.23 1ejx s VAL 1557N -4.72 0.07 0.24 4.15 1.01 -1.26 -4.84 120.40 115.04 1ejx s VAL 1557Ca -0.14 -0.60 0.12 0.00 0.00 0.00 0.00 61.98 61.35 1ejx s VAL 1557Cb 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1ejx s VAL 1557CO 0.46 -0.33 -0.21 -0.76 0.00 0.00 0.00 175.10 174.26 1ejx s LEU 1558N -0.97 2.55 0.99 3.92 1.43 -1.26 -5.12 118.68 120.22 1ejx s LEU 1558Ca -0.11 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 1ejx s LEU 1558Cb -0.07 -1.17 0.23 0.00 0.03 0.00 0.00 46.19 45.21 1ejx s LEU 1558CO -0.01 0.08 1.35 -2.16 0.23 0.00 0.00 176.35 175.84 1ejx s PRO 1559N -3.12 0.36 -1.47 1.29 0.04 -1.26 -4.20 135.00 126.63 1ejx s PRO 1559Ca 0.26 -0.56 -0.12 0.00 0.04 0.00 0.00 61.00 60.62 1ejx s PRO 1559Cb -0.06 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.72 1ejx s PRO 1559CO 0.13 -2.58 0.76 -1.33 0.04 0.00 0.00 177.00 174.02 1ejx n MET 1560N -3.84 -4.52 0.00 4.56 2.81 -1.26 -4.90 117.12 109.97 1ejx n MET 1560Ca 0.17 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 1ejx n MET 1560Cb 0.59 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.72 1ejx n MET 1560CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ejx n ALA 1561N -4.14 0.00 0.25 3.04 0.00 -1.26 -4.97 120.51 113.43 1ejx n ALA 1561Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 1ejx n ALA 1561Cb 0.54 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.76 1ejx n ALA 1561CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ejx h GLN 1562N 0.00 0.00 0.00 0.00 4.20 -1.90 -1.60 115.11 115.81 1ejx h GLN 1562Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ejx h GLN 1562Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ejx h GLN 1562CO 0.00 0.00 -0.17 -0.09 -0.67 0.00 0.00 178.83 177.90 1ejx h ARG 1563N 0.00 0.00 0.00 1.46 2.43 -1.94 -3.37 114.38 112.96 1ejx h ARG 1563Ca 0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1ejx h ARG 1563Cb 0.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1ejx h ARG 1563CO 0.00 0.17 -2.09 0.66 -1.51 0.00 0.00 179.97 177.20 1ejx n TYR 1564N -3.19 0.00 -3.82 2.20 4.02 -0.61 -5.02 117.16 110.74 1ejx n TYR 1564Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.56 1ejx n TYR 1564Cb 0.51 -0.78 -0.08 0.00 -0.02 0.00 0.00 39.34 38.98 1ejx n TYR 1564CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1ejx s PHE 1565N -2.38 3.39 0.48 -0.72 0.40 -1.16 -5.00 117.98 112.98 1ejx s PHE 1565Ca -0.10 0.29 0.14 0.00 -0.60 0.00 0.00 56.93 56.66 1ejx s PHE 1565Cb 0.05 -2.11 1.12 0.00 0.51 0.00 0.00 43.02 42.58 1ejx s PHE 1565CO 0.63 0.31 2.07 1.25 0.70 0.00 0.00 175.22 180.18 1ejx h LEU 1566N 6.47 0.05 -0.36 -0.37 5.85 -1.94 -3.47 115.31 121.54 1ejx h LEU 1566Ca -0.42 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1ejx h LEU 1566Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ejx h LEU 1566CO 0.72 0.11 0.00 0.49 -0.34 0.00 0.00 178.44 179.43