#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcx n LYS 1003N 0.00 2.77 -2.50 5.31 5.02 -1.26 -4.94 118.16 122.56 1jcx n LYS 1003Ca 0.00 1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.88 1jcx n LYS 1003Cb 0.00 -2.84 -0.04 0.00 -0.02 0.00 0.00 35.03 32.13 1jcx n LYS 1003CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1jcx s PHE 1004N 1.09 3.59 -0.14 2.13 2.19 -1.20 -4.75 117.98 120.90 1jcx s PHE 1004Ca 0.74 1.64 -0.14 0.00 0.33 0.00 0.00 56.93 59.51 1jcx s PHE 1004Cb -0.51 -3.28 -0.05 0.00 -1.31 0.00 0.00 43.02 37.88 1jcx s PHE 1004CO 0.33 -0.58 0.31 -1.17 1.83 0.00 0.00 175.22 175.94 1jcx s LEU 1005N -0.83 4.28 -0.25 6.12 2.96 -0.80 -0.51 118.68 129.65 1jcx s LEU 1005Ca 0.47 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 1jcx s LEU 1005Cb -0.31 -2.40 0.07 0.00 0.50 0.00 0.00 46.19 44.05 1jcx s LEU 1005CO 0.37 0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.79 1jcx s VAL 1006N 0.24 1.75 -0.29 1.68 1.01 -0.43 -0.53 120.40 123.83 1jcx s VAL 1006Ca 0.18 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.60 1jcx s VAL 1006Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1jcx s VAL 1006CO 0.05 -0.15 0.20 -0.63 0.00 0.00 0.00 175.10 174.57 1jcx s ILE 1007N 1.28 5.30 0.05 2.22 1.01 -0.04 -1.39 121.20 129.63 1jcx s ILE 1007Ca -0.05 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 1jcx s ILE 1007Cb -0.19 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1jcx s ILE 1007CO -0.07 0.21 0.29 0.00 0.00 0.00 0.00 174.94 175.37 1jcx s ALA 1008N 1.76 -0.65 0.00 9.38 0.00 -0.50 -0.57 121.76 131.18 1jcx s ALA 1008Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1jcx s ALA 1008Cb -0.16 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1jcx s ALA 1008CO 0.11 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1jcx n GLY 1009N 0.54 0.51 3.77 0.00 0.00 -1.12 -1.06 105.19 107.83 1jcx n GLY 1009Ca -0.18 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 1jcx n GLY 1009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jcx s PRO 1010N -2.00 4.14 0.17 1.61 0.04 -1.00 -0.82 135.00 137.15 1jcx s PRO 1010Ca 0.00 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1jcx s PRO 1010Cb 0.00 -2.79 0.09 0.00 0.04 0.00 0.00 34.50 31.84 1jcx s PRO 1010CO 0.00 -0.27 1.64 0.00 0.04 0.00 0.00 177.00 178.42 1jcx s ALA 1012N -6.16 2.23 -1.33 0.00 0.00 -1.26 -1.71 121.76 113.53 1jcx s ALA 1012Ca -0.14 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 1jcx s ALA 1012Cb 0.14 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.05 1jcx s ALA 1012CO 0.70 0.39 1.84 -0.89 0.00 0.00 0.00 175.76 177.80 1jcx n ILE 1013N 0.58 3.86 0.05 0.00 5.41 -0.63 -4.72 119.36 123.91 1jcx n ILE 1013Ca -0.15 -3.90 0.04 0.00 1.00 0.00 0.00 62.75 59.74 1jcx n ILE 1013Cb 0.55 -2.42 0.45 0.00 -0.71 0.00 0.00 39.64 37.51 1jcx n ILE 1013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jcx h GLU 1014N 7.13 0.44 -1.48 0.38 5.08 -1.96 -3.42 114.58 120.76 1jcx h GLU 1014Ca 0.47 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.99 1jcx h GLU 1014Cb 0.81 -0.09 -0.21 0.00 0.50 0.00 0.00 28.75 29.75 1jcx h GLU 1014CO 1.55 0.32 0.76 -1.54 -1.00 0.00 0.00 179.01 179.10 1jcx s SER 1015N -6.76 -0.18 0.51 1.42 1.04 -1.26 -5.00 113.70 103.47 1jcx s SER 1015Ca -0.08 0.09 0.23 0.00 0.48 0.00 0.00 55.95 56.68 1jcx s SER 1015Cb 0.17 0.17 1.37 0.00 0.10 0.00 0.00 66.02 67.84 1jcx s SER 1015CO 0.72 -0.25 2.09 -0.08 0.98 0.00 0.00 173.24 176.71 1jcx h GLU 1016N 2.13 0.00 -0.26 4.02 4.81 -1.95 -2.44 114.58 120.89 1jcx h GLU 1016Ca -0.12 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1jcx h GLU 1016Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1jcx h GLU 1016CO 0.25 0.11 -0.08 1.49 -0.73 0.00 0.00 179.01 180.05 1jcx h GLU 1017N 0.00 0.51 -0.72 1.92 4.81 -1.99 -2.31 114.58 116.81 1jcx h GLU 1017Ca -0.00 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1jcx h GLU 1017Cb 0.24 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1jcx h GLU 1017CO 0.01 0.74 0.44 1.25 -0.73 0.00 0.00 179.01 180.72 1jcx h LEU 1018N 0.26 0.71 -0.31 1.64 5.85 -1.84 -2.04 115.31 119.59 1jcx h LEU 1018Ca 0.06 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1jcx h LEU 1018Cb 0.56 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1jcx h LEU 1018CO 0.03 0.49 0.19 -0.07 -0.34 0.00 0.00 178.44 178.73 1jcx h LEU 1019N 0.85 0.31 -1.28 2.25 4.07 -1.37 -2.24 115.31 117.91 1jcx h LEU 1019Ca 0.29 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.20 1jcx h LEU 1019Cb 0.06 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1jcx h LEU 1019CO -0.12 0.23 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.35 1jcx h LEU 1020N 0.39 0.41 -0.27 1.67 3.38 -1.08 0.33 115.31 120.14 1jcx h LEU 1020Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jcx h LEU 1020Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jcx h LEU 1020CO -0.04 0.51 0.03 0.50 0.09 0.00 0.00 178.44 179.53 1jcx h LYS 1021N 0.42 0.47 -0.21 1.13 3.64 -1.04 -0.55 116.57 120.43 1jcx h LYS 1021Ca 0.09 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1jcx h LYS 1021Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1jcx h LYS 1021CO 0.01 0.60 -0.62 0.28 -2.27 0.00 0.00 179.45 177.45 1jcx h VAL 1022N 0.27 1.29 -0.79 2.00 2.07 -1.17 -3.08 116.25 116.85 1jcx h VAL 1022Ca 0.08 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.79 1jcx h VAL 1022Cb 0.37 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1jcx h VAL 1022CO 0.01 0.59 0.52 1.23 0.02 0.00 0.00 177.57 179.93 1jcx h GLY 1023N 0.80 1.11 0.99 2.17 0.00 -0.21 -0.60 103.07 107.34 1jcx h GLY 1023Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1jcx h GLY 1023CO 0.13 0.35 0.27 -2.09 0.00 0.00 0.00 176.54 175.21 1jcx h GLU 1024N 1.00 0.61 -0.43 4.80 4.81 -1.01 0.02 114.58 124.38 1jcx h GLU 1024Ca 0.31 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1jcx h GLU 1024Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1jcx h GLU 1024CO -0.08 0.44 -0.31 1.49 -0.73 0.00 0.00 179.01 179.82 1jcx h GLU 1025N 0.60 0.96 -0.50 1.92 4.57 -1.36 -1.82 114.58 118.95 1jcx h GLU 1025Ca 0.16 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.81 1jcx h GLU 1025Cb -0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1jcx h GLU 1025CO -0.03 1.13 0.01 0.82 -1.18 0.00 0.00 179.01 179.76 1jcx h ILE 1026N 0.81 1.24 -0.66 2.32 2.04 -0.90 -0.74 117.51 121.61 1jcx h ILE 1026Ca 0.08 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1jcx h ILE 1026Cb 0.89 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1jcx h ILE 1026CO 0.08 0.36 0.21 0.50 0.00 0.00 0.00 178.15 179.30 1jcx h LYS 1027N 0.78 1.03 -0.32 2.37 1.63 -0.83 0.15 116.57 121.38 1jcx h LYS 1027Ca 0.15 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1jcx h LYS 1027Cb 0.45 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1jcx h LYS 1027CO 0.02 0.90 0.17 -0.09 -3.45 0.00 0.00 179.45 177.00 1jcx h ARG 1028N 0.96 0.44 -0.29 1.90 2.43 -0.78 -2.32 114.38 116.73 1jcx h ARG 1028Ca 0.21 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1jcx h ARG 1028Cb 0.30 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1jcx h ARG 1028CO -0.01 0.37 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.65 1jcx h LEU 1029N 0.39 0.45 -1.71 3.80 3.38 -0.88 -1.94 115.31 118.80 1jcx h LEU 1029Ca 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1jcx h LEU 1029Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jcx h LEU 1029CO -0.02 0.60 -0.18 0.77 0.09 0.00 0.00 178.44 179.70 1jcx h SER 1030N 0.44 0.00 0.63 -0.43 4.64 -0.53 0.42 113.55 118.72 1jcx h SER 1030Ca 0.09 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 1jcx h SER 1030Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1jcx h SER 1030CO 0.02 0.18 -1.01 -0.33 -0.87 0.00 0.00 176.83 174.83 1jcx h GLU 1031N 0.00 0.21 0.01 4.77 4.39 -0.84 -3.33 114.58 119.79 1jcx h GLU 1031Ca -0.00 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1jcx h GLU 1031Cb 0.40 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1jcx h GLU 1031CO 0.02 1.05 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.70 1jcx h LYS 1032N 0.10 -0.01 -3.95 2.33 3.64 -0.92 -3.38 116.57 114.37 1jcx h LYS 1032Ca -0.07 0.00 -0.75 0.00 -1.27 0.00 0.00 60.65 58.56 1jcx h LYS 1032Cb 1.69 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.35 1jcx h LYS 1032CO 0.16 0.62 1.85 1.19 -2.27 0.00 0.00 179.45 180.99 1jcx n PHE 1033N -4.69 3.62 0.31 1.91 3.01 0.14 -4.79 117.46 116.97 1jcx n PHE 1033Ca -0.07 -2.97 0.12 0.00 1.01 0.00 0.00 57.45 55.54 1jcx n PHE 1033Cb 0.31 -2.05 0.54 0.00 -0.01 0.00 0.00 39.48 38.27 1jcx n PHE 1033CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jcx n LYS 1034N 4.56 0.18 0.00 -1.08 5.02 -1.25 -1.64 118.16 123.95 1jcx n LYS 1034Ca 0.39 0.51 0.14 0.00 -2.02 0.00 0.00 58.31 57.34 1jcx n LYS 1034Cb 0.38 -1.93 0.63 0.00 -0.02 0.00 0.00 35.03 34.09 1jcx n LYS 1034CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jcx n GLU 1035N -2.29 1.28 -4.38 1.97 0.00 -1.26 -4.84 120.64 111.12 1jcx n GLU 1035Ca 0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 57.16 56.25 1jcx n GLU 1035Cb 0.16 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.02 1jcx n GLU 1035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1jcx s VAL 1036N -2.12 4.08 -0.37 3.84 1.01 -0.65 -3.26 120.40 122.93 1jcx s VAL 1036Ca 0.38 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1jcx s VAL 1036Cb 0.21 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1jcx s VAL 1036CO 0.38 0.47 0.24 -0.70 0.00 0.00 0.00 175.10 175.49 1jcx s GLU 1037N -1.25 3.11 0.07 2.72 2.12 0.33 -4.95 118.70 120.85 1jcx s GLU 1037Ca 0.16 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.46 1jcx s GLU 1037Cb -0.11 -3.81 -0.06 0.00 0.26 0.00 0.00 34.13 30.41 1jcx s GLU 1037CO 0.06 -0.61 0.46 -0.06 -0.54 0.00 0.00 175.26 174.57 1jcx s PHE 1038N 1.64 3.67 -0.08 5.30 0.40 -1.26 -1.32 117.98 126.33 1jcx s PHE 1038Ca 0.04 0.98 -0.00 0.00 -0.60 0.00 0.00 56.93 57.35 1jcx s PHE 1038Cb -0.18 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.08 1jcx s PHE 1038CO 0.09 0.55 -0.04 0.08 0.70 0.00 0.00 175.22 176.60 1jcx s VAL 1039N -1.27 0.67 -0.05 -0.44 1.01 -0.48 -4.15 120.40 115.69 1jcx s VAL 1039Ca 0.30 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1jcx s VAL 1039Cb -0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1jcx s VAL 1039CO 0.17 0.30 0.94 0.12 0.00 0.00 0.00 175.10 176.62 1jcx s PHE 1040N 1.63 3.59 -0.02 5.22 5.36 0.06 -1.41 117.98 132.41 1jcx s PHE 1040Ca 0.01 1.58 0.07 0.00 -0.96 0.00 0.00 56.93 57.63 1jcx s PHE 1040Cb -0.13 -3.09 -0.02 0.00 -0.34 0.00 0.00 43.02 39.44 1jcx s PHE 1040CO -0.05 -0.08 -0.22 0.21 -1.46 0.00 0.00 175.22 173.62 1jcx s LYS 1041N 1.38 1.79 -0.28 10.12 2.36 -0.22 -1.35 119.74 133.53 1jcx s LYS 1041Ca 0.48 -0.79 -0.24 0.00 -2.55 0.00 0.00 55.97 52.87 1jcx s LYS 1041Cb -0.19 -1.73 0.12 0.00 -1.05 0.00 0.00 37.83 34.98 1jcx s LYS 1041CO 0.22 0.48 1.01 0.45 1.55 0.00 0.00 175.35 179.06 1jcx s SER 1042N -0.52 -0.48 -0.13 1.43 0.15 -1.18 -3.28 113.70 109.69 1jcx s SER 1042Ca 0.08 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.44 1jcx s SER 1042Cb -0.08 0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1jcx s SER 1042CO -0.01 -0.15 0.57 -0.44 1.20 0.00 0.00 173.24 174.41 1jcx s SER 1043N 0.37 6.74 0.18 5.45 0.01 -0.69 -4.54 113.70 121.23 1jcx s SER 1043Ca 0.02 0.89 0.26 0.00 1.31 0.00 0.00 55.95 58.42 1jcx s SER 1043Cb -0.05 -2.33 0.89 0.00 0.21 0.00 0.00 66.02 64.74 1jcx s SER 1043CO -0.07 -0.11 1.78 2.22 0.41 0.00 0.00 173.24 177.47 1jcx n PHE 1044N 4.12 0.76 -3.66 2.43 1.16 -1.26 -1.60 117.46 119.41 1jcx n PHE 1044Ca -0.04 0.23 -0.10 0.00 -1.87 0.00 0.00 57.45 55.67 1jcx n PHE 1044Cb 0.51 -0.88 -0.08 0.00 -1.61 0.00 0.00 39.48 37.41 1jcx n PHE 1044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1jcx s ASP 1045N -4.23 -0.73 -0.96 5.98 2.15 -1.26 -3.95 116.67 113.67 1jcx s ASP 1045Ca 0.10 1.25 -0.12 0.00 0.43 0.00 0.00 52.55 54.21 1jcx s ASP 1045Cb 0.13 1.16 0.24 0.00 -0.30 0.00 0.00 42.92 44.15 1jcx s ASP 1045CO 0.54 -0.22 0.94 -0.54 -0.17 0.00 0.00 175.17 175.72 1jcx s LYS 1046N 1.21 3.87 0.00 4.34 -0.14 0.15 -4.88 119.74 124.29 1jcx s LYS 1046Ca -0.07 -2.76 0.29 0.00 -1.36 0.00 0.00 55.97 52.07 1jcx s LYS 1046Cb -0.06 -4.51 1.70 0.00 -1.68 0.00 0.00 37.83 33.28 1jcx s LYS 1046CO -0.12 -1.29 2.08 0.00 -0.76 0.00 0.00 175.35 175.25 1jcx n ALA 1047N 3.55 2.56 -1.88 5.17 0.00 -1.26 -3.89 120.51 124.76 1jcx n ALA 1047Ca 0.19 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1jcx n ALA 1047Cb 0.44 -1.48 0.10 0.00 0.00 0.00 0.00 19.45 18.51 1jcx n ALA 1047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jcx n ASN 1048N -1.06 1.28 -4.64 0.00 2.04 -1.26 -5.09 115.26 106.53 1jcx n ASN 1048Ca 0.20 -2.80 -0.37 0.00 -0.44 0.00 0.00 54.58 51.18 1jcx n ASN 1048Cb 0.13 -0.38 0.07 0.00 -2.53 0.00 0.00 39.78 37.07 1jcx n ASN 1048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1jcx n ARG 1049N -0.43 0.81 -0.07 -3.83 5.12 -1.25 -4.92 116.66 112.08 1jcx n ARG 1049Ca 0.11 0.33 -0.11 0.00 -1.93 0.00 0.00 57.85 56.24 1jcx n ARG 1049Cb 0.84 -2.28 -0.05 0.00 -1.16 0.00 0.00 32.46 29.82 1jcx n ARG 1049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1jcx h SER 1050N 0.23 0.38 -2.75 0.55 0.02 -1.98 -3.44 113.55 106.56 1jcx h SER 1050Ca -0.49 -0.30 -0.65 0.00 -0.84 0.00 0.00 61.79 59.51 1jcx h SER 1050Cb 1.35 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1jcx h SER 1050CO 0.50 0.59 -0.44 -0.55 -1.14 0.00 0.00 176.83 175.79 1jcx s SER 1051N -5.89 6.45 0.42 3.07 0.15 -1.26 -4.97 113.70 111.67 1jcx s SER 1051Ca -0.14 0.52 0.30 0.00 0.70 0.00 0.00 55.95 57.32 1jcx s SER 1051Cb 0.07 -2.08 1.35 0.00 -1.71 0.00 0.00 66.02 63.65 1jcx s SER 1051CO 0.74 0.35 1.89 -0.29 1.20 0.00 0.00 173.24 177.13 1jcx h ILE 1052N 3.60 0.00 -0.00 6.45 6.09 -2.02 -2.57 117.51 129.06 1jcx h ILE 1052Ca -0.53 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 1jcx h ILE 1052Cb 1.22 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.57 1jcx h ILE 1052CO 0.62 0.00 -0.38 1.41 -3.07 0.00 0.00 178.15 176.73 1jcx n HIS 1053N -2.64 0.00 -2.11 2.19 8.25 -1.26 -4.94 115.22 114.71 1jcx n HIS 1053Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1jcx n HIS 1053Cb 0.20 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1jcx n HIS 1053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1jcx s SER 1054N -2.89 6.21 0.30 0.41 0.01 -0.97 -5.00 113.70 111.76 1jcx s SER 1054Ca 0.14 1.60 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 1jcx s SER 1054Cb 0.18 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.80 1jcx s SER 1054CO 0.64 -0.87 1.56 0.12 0.41 0.00 0.00 173.24 175.10 1jcx s PHE 1055N -2.76 2.77 -0.07 2.43 5.36 -1.26 -4.93 117.98 119.52 1jcx s PHE 1055Ca 0.59 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 1jcx s PHE 1055Cb -0.12 -4.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 1jcx s PHE 1055CO 0.40 -3.40 -0.07 0.54 -1.46 0.00 0.00 175.22 171.22 1jcx n ARG 1056N 1.99 0.17 -1.10 10.12 1.74 -1.26 -4.74 116.66 123.57 1jcx n ARG 1056Ca 0.07 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1jcx n ARG 1056Cb 0.38 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1jcx n ARG 1056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jcx n GLY 1057N 2.95 0.33 0.92 -0.13 0.00 -1.26 -0.67 105.19 107.33 1jcx n GLY 1057Ca -0.13 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.24 1jcx n GLY 1057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jcx n HIS 1058N 8.70 0.98 0.00 1.61 8.25 -1.26 -5.05 115.22 128.45 1jcx n HIS 1058Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.55 1jcx n HIS 1058Cb 0.00 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1jcx n HIS 1058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jcx n GLY 1059N -0.53 0.47 0.14 -1.41 0.00 -1.25 -4.37 105.19 98.24 1jcx n GLY 1059Ca 0.22 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 1jcx n GLY 1059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jcx h LEU 1060N 0.00 0.35 -0.21 0.99 7.12 -1.99 -1.97 115.31 119.60 1jcx h LEU 1060Ca 0.00 -0.08 0.05 0.00 0.13 0.00 0.00 57.88 57.98 1jcx h LEU 1060Cb 0.00 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 39.99 1jcx h LEU 1060CO 0.00 0.33 -0.13 -0.08 -0.13 0.00 0.00 178.44 178.43 1jcx h GLU 1061N 0.34 -0.11 -0.51 1.25 4.81 -1.97 0.13 114.58 118.51 1jcx h GLU 1061Ca 0.10 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1jcx h GLU 1061Cb 0.06 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1jcx h GLU 1061CO -0.02 -0.07 0.24 -0.92 -0.73 0.00 0.00 179.01 177.51 1jcx h TYR 1062N -0.12 0.75 -0.29 0.92 3.20 -1.75 -2.17 116.97 117.51 1jcx h TYR 1062Ca 0.12 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1jcx h TYR 1062Cb 0.30 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1jcx h TYR 1062CO -0.29 0.60 0.11 0.78 -1.64 0.00 0.00 178.16 177.72 1jcx h GLY 1063N 0.69 0.47 1.24 1.82 0.00 -0.80 -0.53 103.07 105.96 1jcx h GLY 1063Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1jcx h GLY 1063CO -0.02 0.25 0.11 -2.08 0.00 0.00 0.00 176.54 174.80 1jcx h VAL 1064N 0.32 1.24 -0.59 4.60 2.07 -0.73 0.10 116.25 123.26 1jcx h VAL 1064Ca 0.10 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1jcx h VAL 1064Cb 0.20 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1jcx h VAL 1064CO -0.01 0.34 0.21 0.50 0.02 0.00 0.00 177.57 178.64 1jcx h LYS 1065N 0.89 0.90 -0.26 1.57 3.64 -1.20 0.36 116.57 122.47 1jcx h LYS 1065Ca 0.19 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1jcx h LYS 1065Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1jcx h LYS 1065CO 0.01 0.79 0.05 0.00 -2.27 0.00 0.00 179.45 178.02 1jcx h ALA 1066N 1.07 0.35 -0.90 5.00 0.00 -0.61 -2.20 119.26 121.97 1jcx h ALA 1066Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jcx h ALA 1066Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1jcx h ALA 1066CO -0.01 0.03 0.52 -0.07 0.00 0.00 0.00 179.25 179.72 1jcx h LEU 1067N 0.25 1.09 -1.33 0.00 3.38 -0.82 -1.91 115.31 115.96 1jcx h LEU 1067Ca 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jcx h LEU 1067Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jcx h LEU 1067CO 0.00 0.85 0.20 -0.09 0.09 0.00 0.00 178.44 179.50 1jcx h ARG 1068N 1.25 0.66 -0.54 1.13 2.43 -0.68 -1.26 114.38 117.35 1jcx h ARG 1068Ca 0.32 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1jcx h ARG 1068Cb -0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1jcx h ARG 1068CO -0.06 0.53 0.05 -0.22 -1.51 0.00 0.00 179.97 178.76 1jcx h LYS 1069N 0.65 0.93 -0.23 0.20 1.63 -0.73 -0.06 116.57 118.96 1jcx h LYS 1069Ca 0.16 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1jcx h LYS 1069Cb 0.11 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1jcx h LYS 1069CO -0.02 0.92 0.14 0.28 -3.45 0.00 0.00 179.45 177.32 1jcx h VAL 1070N 0.81 1.09 -0.66 2.00 2.07 -0.83 0.13 116.25 120.85 1jcx h VAL 1070Ca 0.16 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1jcx h VAL 1070Cb 0.47 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1jcx h VAL 1070CO 0.02 0.08 0.32 0.50 0.02 0.00 0.00 177.57 178.51 1jcx h LYS 1071N 0.29 0.95 -0.27 1.57 3.64 -1.07 0.03 116.57 121.71 1jcx h LYS 1071Ca 0.08 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1jcx h LYS 1071Cb 0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1jcx h LYS 1071CO -0.02 0.76 -0.12 1.49 -2.27 0.00 0.00 179.45 179.29 1jcx h GLU 1072N 0.92 0.55 -0.05 1.90 4.81 -0.79 0.17 114.58 122.09 1jcx h GLU 1072Ca 0.23 -0.24 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1jcx h GLU 1072Cb 0.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1jcx h GLU 1072CO -0.03 0.79 -0.87 1.49 -0.73 0.00 0.00 179.01 179.67 1jcx h GLU 1073N 0.29 0.51 -0.00 1.92 4.81 -0.65 -3.37 114.58 118.09 1jcx h GLU 1073Ca 0.06 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1jcx h GLU 1073Cb 0.62 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1jcx h GLU 1073CO 0.04 1.12 -0.29 1.19 -0.73 0.00 0.00 179.01 180.33 1jcx n PHE 1074N -3.82 0.00 -2.29 0.92 3.72 -0.01 -5.01 117.46 110.97 1jcx n PHE 1074Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.20 1jcx n PHE 1074Cb 0.79 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.33 1jcx n PHE 1074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jcx n GLY 1075N 1.07 -0.15 3.88 1.37 0.00 0.58 -4.98 105.19 106.97 1jcx n GLY 1075Ca 0.02 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1jcx n GLY 1075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcx s LEU 1076N -3.74 4.35 0.64 0.99 1.02 -1.24 -5.05 118.68 115.64 1jcx s LEU 1076Ca 0.02 0.65 -0.16 0.00 0.02 0.00 0.00 54.13 54.66 1jcx s LEU 1076Cb -0.01 -2.89 -0.01 0.00 0.02 0.00 0.00 46.19 43.31 1jcx s LEU 1076CO 0.02 0.19 1.12 -0.54 0.02 0.00 0.00 176.35 177.16 1jcx s LYS 1077N -1.95 2.90 0.03 1.70 1.02 -1.26 -4.45 119.74 117.73 1jcx s LYS 1077Ca 0.32 1.44 0.07 0.00 0.02 0.00 0.00 55.97 57.81 1jcx s LYS 1077Cb -0.13 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1jcx s LYS 1077CO 0.18 -1.18 -0.20 0.42 -0.92 0.00 0.00 175.35 173.65 1jcx s ILE 1078N -2.22 1.61 -0.03 2.17 -1.09 -1.26 -0.76 121.20 119.61 1jcx s ILE 1078Ca 0.68 -1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 57.94 1jcx s ILE 1078Cb -0.21 -1.39 0.01 0.00 -1.58 0.00 0.00 42.46 39.29 1jcx s ILE 1078CO 0.39 0.24 0.11 0.28 -1.23 0.00 0.00 174.94 174.73 1jcx s THR 1079N -0.74 0.02 0.17 2.92 -1.32 -0.46 0.72 115.64 116.96 1jcx s THR 1079Ca 0.07 -0.16 -0.15 0.00 -1.21 0.00 0.00 61.69 60.24 1jcx s THR 1079Cb -0.08 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1jcx s THR 1079CO 0.01 -0.09 0.45 0.28 -2.21 0.00 0.00 174.62 173.06 1jcx s THR 1080N -0.24 0.05 0.08 5.08 -1.32 -1.21 -3.13 115.64 114.95 1jcx s THR 1080Ca -0.03 -0.85 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 1jcx s THR 1080Cb -0.02 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 1jcx s THR 1080CO 0.00 -0.21 0.18 1.51 -2.21 0.00 0.00 174.62 173.90 1jcx s ASP 1081N -2.87 6.13 0.22 8.08 -4.77 -1.26 -1.00 116.67 121.19 1jcx s ASP 1081Ca 0.09 0.18 0.09 0.00 -3.30 0.00 0.00 52.55 49.61 1jcx s ASP 1081Cb 0.01 -1.82 -0.04 0.00 -1.09 0.00 0.00 42.92 39.97 1jcx s ASP 1081CO -0.05 0.16 -0.02 0.27 0.70 0.00 0.00 175.17 176.23 1jcx s ILE 1082N -1.51 3.49 0.00 2.11 -4.36 -0.82 -4.79 121.20 115.33 1jcx s ILE 1082Ca 0.33 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1jcx s ILE 1082Cb -0.13 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.78 1jcx s ILE 1082CO 0.26 -0.24 0.00 1.41 0.24 0.00 0.00 174.94 176.62 1jcx n HIS 1083N -0.46 0.00 -3.93 1.37 8.25 -1.26 -4.38 115.22 114.81 1jcx n HIS 1083Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1jcx n HIS 1083Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 1jcx n HIS 1083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jcx s GLU 1084N -1.76 0.47 0.30 -0.41 2.02 -1.26 -5.07 118.70 112.98 1jcx s GLU 1084Ca 0.00 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.44 1jcx s GLU 1084Cb 0.00 0.18 0.76 0.00 0.10 0.00 0.00 34.13 35.17 1jcx s GLU 1084CO 0.00 -0.10 1.74 0.77 0.02 0.00 0.00 175.26 177.69 1jcx h SER 1085N 4.15 0.63 0.08 -0.19 0.02 -1.90 -1.95 113.55 114.38 1jcx h SER 1085Ca -0.32 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1jcx h SER 1085Cb 1.19 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1jcx h SER 1085CO 0.45 0.15 -0.01 4.11 -1.14 0.00 0.00 176.83 180.40 1jcx h TRP 1086N 0.61 0.00 0.00 3.45 5.08 -1.97 -2.35 115.95 120.77 1jcx h TRP 1086Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.55 1jcx h TRP 1086Cb 1.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1jcx h TRP 1086CO -0.04 0.01 0.00 1.96 -1.28 0.00 0.00 178.44 179.08 1jcx h GLN 1087N 0.00 0.00 -0.19 0.12 4.20 -1.78 -3.35 115.11 114.11 1jcx h GLN 1087Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1jcx h GLN 1087Cb 0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1jcx h GLN 1087CO 0.00 0.00 0.01 0.00 -0.67 0.00 0.00 178.83 178.17 1jcx h ALA 1088N 2.28 0.17 0.74 3.87 0.00 -1.57 -1.96 119.26 122.80 1jcx h ALA 1088Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jcx h ALA 1088Cb 0.75 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jcx h ALA 1088CO 0.00 -0.42 -0.36 1.49 0.00 0.00 0.00 179.25 179.96 1jcx h GLU 1089N 0.08 -0.96 -0.58 0.00 4.81 -1.78 0.52 114.58 116.65 1jcx h GLU 1089Ca 0.09 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jcx h GLU 1089Cb 0.10 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1jcx h GLU 1089CO -0.14 -0.64 0.38 -1.00 -0.73 0.00 0.00 179.01 176.88 1jcx h PRO 1090N -1.00 0.77 -0.33 0.92 0.13 -1.76 -2.53 132.00 128.21 1jcx h PRO 1090Ca -0.10 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1jcx h PRO 1090Cb 0.77 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1jcx h PRO 1090CO 0.16 0.52 -0.42 0.28 -0.23 0.00 0.00 178.00 178.32 1jcx h VAL 1091N 0.79 1.28 0.00 1.56 2.07 -1.24 -2.98 116.25 117.74 1jcx h VAL 1091Ca 0.21 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1jcx h VAL 1091Cb -0.08 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1jcx h VAL 1091CO -0.04 0.52 0.02 0.00 0.02 0.00 0.00 177.57 178.09 1jcx h ALA 1092N 0.86 1.02 0.00 1.67 0.00 -0.44 -0.43 119.26 121.93 1jcx h ALA 1092Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jcx h ALA 1092Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1jcx h ALA 1092CO 0.09 -0.02 -0.17 0.93 0.00 0.00 0.00 179.25 180.09 1jcx h GLU 1093N 0.00 0.00 0.00 0.00 5.08 -1.51 -3.35 114.58 114.80 1jcx h GLU 1093Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jcx h GLU 1093Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1jcx h GLU 1093CO 0.00 0.17 -0.89 1.55 -1.00 0.00 0.00 179.01 178.84 1jcx n VAL 1094N -3.46 0.00 -2.60 3.13 3.14 -0.52 -5.04 118.33 112.98 1jcx n VAL 1094Ca -0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 1jcx n VAL 1094Cb 0.34 -0.78 -0.03 0.00 -1.06 0.00 0.00 33.84 32.31 1jcx n VAL 1094CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jcx s ALA 1095N -1.89 3.44 0.12 1.55 0.00 -0.29 -4.55 121.76 120.15 1jcx s ALA 1095Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1jcx s ALA 1095Cb 0.00 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.47 1jcx s ALA 1095CO 0.00 -0.67 1.27 -0.44 0.00 0.00 0.00 175.76 175.92 1jcx h ASP 1096N 7.24 0.16 -3.31 0.00 3.32 -0.03 -3.44 116.42 120.37 1jcx h ASP 1096Ca -0.32 -0.17 -0.51 0.00 0.02 0.00 0.00 57.03 56.05 1jcx h ASP 1096Cb 1.15 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.30 1jcx h ASP 1096CO 0.87 1.09 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.04 1jcx s ILE 1097N -2.81 1.04 -0.20 0.35 1.01 -0.80 -2.31 121.20 117.47 1jcx s ILE 1097Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1jcx s ILE 1097Cb 0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1jcx s ILE 1097CO 0.84 0.35 0.33 -0.63 0.00 0.00 0.00 174.94 175.83 1jcx s ILE 1098N 1.19 5.25 -0.09 2.92 1.01 0.26 -3.29 121.20 128.45 1jcx s ILE 1098Ca -0.05 0.57 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 1jcx s ILE 1098Cb -0.14 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1jcx s ILE 1098CO -0.02 0.29 0.29 -1.58 0.00 0.00 0.00 174.94 173.92 1jcx s GLN 1099N 1.11 3.87 -0.24 2.79 0.74 -0.17 -1.05 119.66 126.71 1jcx s GLN 1099Ca 0.16 0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.66 1jcx s GLN 1099Cb -0.14 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 1jcx s GLN 1099CO 0.06 0.59 0.02 0.42 -0.55 0.00 0.00 175.29 175.83 1jcx s ILE 1100N -0.60 3.92 0.60 -2.34 -1.09 0.13 -1.95 121.20 119.86 1jcx s ILE 1100Ca 0.19 -0.31 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 1jcx s ILE 1100Cb -0.14 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1jcx s ILE 1100CO 0.08 0.38 1.12 -2.65 -1.23 0.00 0.00 174.94 172.63 1jcx n PRO 1101N 4.86 1.09 -0.21 2.79 -0.02 -1.26 -1.45 135.00 140.79 1jcx n PRO 1101Ca -0.17 0.42 0.01 0.00 -2.02 0.00 0.00 63.50 61.74 1jcx n PRO 1101Cb 0.51 -2.33 0.12 0.00 -0.02 0.00 0.00 33.50 31.78 1jcx n PRO 1101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jcx h ALA 1102N 0.67 0.83 0.00 3.55 0.00 -1.89 -0.84 119.26 121.58 1jcx h ALA 1102Ca -0.49 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1jcx h ALA 1102Cb 1.35 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1jcx h ALA 1102CO 0.53 -0.20 -0.01 0.74 0.00 0.00 0.00 179.25 180.30 1jcx h PHE 1103N 0.40 0.00 -0.56 0.00 0.04 -1.91 -2.98 116.94 111.92 1jcx h PHE 1103Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1jcx h PHE 1103Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1jcx h PHE 1103CO -0.18 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.83 1jcx n LEU 1104N -3.13 3.98 0.05 1.54 4.77 -0.36 -4.62 117.00 119.24 1jcx n LEU 1104Ca -0.00 -2.25 0.06 0.00 -0.03 0.00 0.00 56.01 53.78 1jcx n LEU 1104Cb 0.25 -0.46 0.27 0.00 -2.33 0.00 0.00 43.42 41.15 1jcx n LEU 1104CO 0.26 0.83 0.67 0.00 -1.33 0.00 0.00 177.39 177.83 1jcx n ARG 1106N -1.77 1.40 -2.38 0.00 5.12 -1.26 -4.91 116.66 112.86 1jcx n ARG 1106Ca 0.01 -0.99 -0.38 0.00 -1.93 0.00 0.00 57.85 54.55 1jcx n ARG 1106Cb 0.08 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 1jcx n ARG 1106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1jcx s GLN 1107N -1.37 3.11 0.23 5.56 -1.52 -0.74 -4.90 119.66 120.04 1jcx s GLN 1107Ca 0.13 -0.38 -0.13 0.00 -1.95 0.00 0.00 55.36 53.03 1jcx s GLN 1107Cb 0.11 -4.73 0.28 0.00 -0.22 0.00 0.00 33.01 28.45 1jcx s GLN 1107CO 0.25 -2.47 1.60 1.15 -0.25 0.00 0.00 175.29 175.56 1jcx h THR 1108N 6.62 0.22 -0.17 -0.19 2.02 -1.91 -1.74 112.91 117.77 1jcx h THR 1108Ca -0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1jcx h THR 1108Cb 1.05 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1jcx h THR 1108CO 1.31 0.00 -0.14 0.44 0.37 0.00 0.00 175.52 177.49 1jcx h ASP 1109N -0.03 0.26 -0.27 4.18 3.32 -1.98 -0.07 116.42 121.82 1jcx h ASP 1109Ca 0.34 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1jcx h ASP 1109Cb 0.56 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1jcx h ASP 1109CO -0.78 0.43 -0.18 0.25 -1.72 0.00 0.00 179.24 177.24 1jcx h LEU 1110N 0.26 0.63 -0.47 1.55 5.85 -1.71 0.30 115.31 121.71 1jcx h LEU 1110Ca 0.05 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1jcx h LEU 1110Cb 0.41 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1jcx h LEU 1110CO 0.02 0.93 0.20 -0.07 -0.34 0.00 0.00 178.44 179.18 1jcx h LEU 1111N 0.33 0.64 -0.78 2.25 3.38 -1.11 -1.88 115.31 118.16 1jcx h LEU 1111Ca 0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1jcx h LEU 1111Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1jcx h LEU 1111CO 0.05 0.63 0.21 -0.07 0.09 0.00 0.00 178.44 179.35 1jcx h LEU 1112N 0.62 1.06 -0.87 1.67 4.07 -0.93 -0.93 115.31 120.00 1jcx h LEU 1112Ca 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1jcx h LEU 1112Cb 0.18 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.60 1jcx h LEU 1112CO -0.01 0.99 0.41 0.00 -1.08 0.00 0.00 178.44 178.75 1jcx h ALA 1113N 1.15 1.12 -0.19 1.53 0.00 -0.66 -2.13 119.26 120.07 1jcx h ALA 1113Ca 0.23 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1jcx h ALA 1113Cb 0.32 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jcx h ALA 1113CO -0.00 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.66 1jcx h ALA 1114N 1.24 0.29 -0.78 0.00 0.00 -1.10 -3.29 119.26 115.62 1jcx h ALA 1114Ca 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jcx h ALA 1114Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jcx h ALA 1114CO -0.04 0.28 0.47 0.00 0.00 0.00 0.00 179.25 179.95 1jcx h ALA 1115N 0.62 1.36 0.00 0.00 0.00 -0.91 -2.74 119.26 117.59 1jcx h ALA 1115Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jcx h ALA 1115Cb 0.82 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jcx h ALA 1115CO 0.06 0.55 0.00 0.36 0.00 0.00 0.00 179.25 180.22 1jcx n LYS 1116N -4.38 0.08 0.22 0.00 2.85 -0.82 -2.99 118.16 113.12 1jcx n LYS 1116Ca 0.08 0.12 0.15 0.00 -1.05 0.00 0.00 58.31 57.61 1jcx n LYS 1116Cb 0.07 -1.50 0.51 0.00 -0.65 0.00 0.00 35.03 33.45 1jcx n LYS 1116CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1jcx h THR 1117N 0.00 0.00 0.00 0.58 1.35 -1.59 -3.46 112.91 109.79 1jcx h THR 1117Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1jcx h THR 1117Cb 0.32 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1jcx h THR 1117CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1jcx n GLY 1118N 0.39 1.05 3.92 5.82 0.00 -1.16 -5.05 105.19 110.17 1jcx n GLY 1118Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1jcx n GLY 1118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jcx s ARG 1119N -0.41 2.82 0.61 1.61 1.81 -1.26 -4.93 118.95 119.19 1jcx s ARG 1119Ca 0.00 -0.12 -0.16 0.00 -1.72 0.00 0.00 55.73 53.73 1jcx s ARG 1119Cb 0.00 -2.29 -0.03 0.00 -0.45 0.00 0.00 34.95 32.18 1jcx s ARG 1119CO 0.00 -0.73 1.08 0.00 -0.68 0.00 0.00 175.30 174.96 1jcx s ALA 1120N -2.97 2.66 -0.05 2.13 0.00 -0.98 -4.73 121.76 117.81 1jcx s ALA 1120Ca 0.54 0.48 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1jcx s ALA 1120Cb -0.10 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1jcx s ALA 1120CO 0.44 -0.93 -0.11 0.08 0.00 0.00 0.00 175.76 175.24 1jcx s VAL 1121N -2.36 1.04 -0.21 0.00 1.01 -0.37 -0.58 120.40 118.93 1jcx s VAL 1121Ca 0.65 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1jcx s VAL 1121Cb -0.18 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1jcx s VAL 1121CO 0.37 0.33 -0.16 0.21 0.00 0.00 0.00 175.10 175.84 1jcx s ASN 1122N 0.55 3.66 -0.24 3.32 2.47 -0.22 -0.56 114.94 123.92 1jcx s ASN 1122Ca -0.11 -0.95 -0.10 0.00 0.42 0.00 0.00 52.86 52.12 1jcx s ASN 1122Cb -0.14 -1.51 -0.05 0.00 -1.45 0.00 0.00 41.25 38.11 1jcx s ASN 1122CO 0.03 -0.08 0.14 -0.69 -3.72 0.00 0.00 177.10 172.78 1jcx s VAL 1123N 1.21 5.09 -0.02 -5.21 1.01 -0.30 -0.70 120.40 121.50 1jcx s VAL 1123Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1jcx s VAL 1123Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1jcx s VAL 1123CO -0.10 0.34 1.18 -0.54 0.00 0.00 0.00 175.10 175.98 1jcx s LYS 1124N 1.21 4.40 -0.03 2.72 -0.14 -0.53 -0.91 119.74 126.46 1jcx s LYS 1124Ca 0.07 1.67 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1jcx s LYS 1124Cb -0.14 -3.49 -0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1jcx s LYS 1124CO 0.05 -0.35 1.50 0.21 -0.76 0.00 0.00 175.35 176.00 1jcx s LYS 1125N 1.76 4.23 0.48 1.68 2.20 0.08 -3.98 119.74 126.19 1jcx s LYS 1125Ca 0.56 2.05 -0.23 0.00 -0.36 0.00 0.00 55.97 57.99 1jcx s LYS 1125Cb -0.26 -3.73 -0.08 0.00 -1.51 0.00 0.00 37.83 32.26 1jcx s LYS 1125CO 0.25 -0.70 1.22 0.41 -0.36 0.00 0.00 175.35 176.17 1jcx n GLY 1126N 3.84 0.39 0.10 5.54 0.00 -1.24 -4.55 105.19 109.27 1jcx n GLY 1126Ca 0.15 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1jcx n GLY 1126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jcx n GLN 1127N -0.39 0.10 0.00 1.61 3.00 -1.26 -1.44 117.38 119.00 1jcx n GLN 1127Ca 0.09 0.52 0.10 0.00 -0.01 0.00 0.00 57.00 57.70 1jcx n GLN 1127Cb 0.42 -1.79 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 1jcx n GLN 1127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1jcx n PHE 1128N -2.00 0.00 -3.52 1.08 -1.74 -1.26 -1.48 117.46 108.54 1jcx n PHE 1128Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.52 1jcx n PHE 1128Cb 0.08 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.02 1jcx n PHE 1128CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1jcx s LEU 1129N -2.56 4.38 0.45 5.98 2.96 -0.52 -5.06 118.68 124.30 1jcx s LEU 1129Ca 0.15 0.77 -0.20 0.00 -0.22 0.00 0.00 54.13 54.63 1jcx s LEU 1129Cb 0.17 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 44.26 1jcx s LEU 1129CO 0.63 0.23 0.97 0.00 -1.32 0.00 0.00 176.35 176.86 1jcx s ALA 1130N -0.43 3.01 0.22 5.97 0.00 -1.26 -4.87 121.76 124.40 1jcx s ALA 1130Ca 0.21 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 1jcx s ALA 1130Cb -0.15 -3.17 0.34 0.00 0.00 0.00 0.00 23.12 20.14 1jcx s ALA 1130CO 0.10 0.00 1.74 -1.35 0.00 0.00 0.00 175.76 176.25 1jcx h PRO 1131N 1.72 0.43 0.00 0.00 0.11 -1.98 -1.38 132.00 130.91 1jcx h PRO 1131Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jcx h PRO 1131Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jcx h PRO 1131CO 0.61 0.29 0.00 0.11 -0.21 0.00 0.00 178.00 178.79 1jcx h TRP 1132N 0.45 0.00 -0.05 0.65 0.09 -1.93 -2.41 115.95 112.75 1jcx h TRP 1132Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.32 1jcx h TRP 1132Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 1jcx h TRP 1132CO -0.16 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.12 1jcx n ASP 1133N -2.67 0.66 0.02 0.11 8.00 -0.52 -3.06 116.55 119.09 1jcx n ASP 1133Ca -0.00 -1.45 0.13 0.00 0.71 0.00 0.00 54.79 54.18 1jcx n ASP 1133Cb 0.17 -0.03 0.41 0.00 -0.02 0.00 0.00 41.12 41.66 1jcx n ASP 1133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jcx n THR 1134N -0.38 0.10 -0.23 -3.53 -2.24 -0.91 -3.73 114.28 103.36 1jcx n THR 1134Ca 0.17 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1jcx n THR 1134Cb 0.18 -0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1jcx n THR 1134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jcx h LYS 1135N 0.00 0.82 0.00 -0.78 3.64 -1.75 -1.42 116.57 117.09 1jcx h LYS 1135Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1jcx h LYS 1135Cb 0.55 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1jcx h LYS 1135CO 0.00 0.54 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.55 1jcx h ASN 1136N 0.85 0.00 -0.30 4.20 2.35 -1.82 -1.62 115.58 119.22 1jcx h ASN 1136Ca 0.25 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1jcx h ASN 1136Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1jcx h ASN 1136CO -0.07 0.26 -0.03 0.58 -1.65 0.00 0.00 177.43 176.52 1jcx h VAL 1137N 0.00 1.27 -0.70 2.81 2.07 -1.44 -1.29 116.25 118.97 1jcx h VAL 1137Ca -0.00 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1jcx h VAL 1137Cb 0.73 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1jcx h VAL 1137CO 0.03 0.33 0.20 0.58 0.02 0.00 0.00 177.57 178.73 1jcx h VAL 1138N 0.34 1.26 -0.74 2.57 2.07 -1.05 -2.42 116.25 118.27 1jcx h VAL 1138Ca 0.08 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1jcx h VAL 1138Cb 0.50 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1jcx h VAL 1138CO 0.02 0.36 0.47 -0.08 0.02 0.00 0.00 177.57 178.36 1jcx h GLU 1139N 1.04 0.90 -0.45 1.57 4.81 -1.08 -0.43 114.58 120.94 1jcx h GLU 1139Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jcx h GLU 1139Cb 0.33 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1jcx h GLU 1139CO -0.00 0.60 0.27 0.87 -0.73 0.00 0.00 179.01 180.01 1jcx h LYS 1140N 0.93 0.62 -0.49 1.92 1.57 -0.93 -0.54 116.57 119.66 1jcx h LYS 1140Ca 0.29 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1jcx h LYS 1140Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1jcx h LYS 1140CO -0.10 0.46 0.18 -0.07 -0.57 0.00 0.00 179.45 179.35 1jcx h LEU 1141N 0.60 0.68 -0.64 2.94 3.38 -0.95 -0.80 115.31 120.52 1jcx h LEU 1141Ca 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jcx h LEU 1141Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1jcx h LEU 1141CO -0.03 0.67 0.27 0.11 0.09 0.00 0.00 178.44 179.55 1jcx h LYS 1142N 0.65 0.94 -0.77 1.13 1.57 -0.93 -0.34 116.57 118.81 1jcx h LYS 1142Ca 0.16 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1jcx h LYS 1142Cb 0.21 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1jcx h LYS 1142CO -0.01 0.78 0.51 0.35 -0.57 0.00 0.00 179.45 180.51 1jcx h PHE 1143N 0.89 0.88 -0.04 -1.35 3.57 -0.82 -1.51 116.94 118.56 1jcx h PHE 1143Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1jcx h PHE 1143Cb 0.18 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1jcx h PHE 1143CO 0.01 0.49 0.00 0.41 -2.23 0.00 0.00 178.31 176.99 1jcx n GLY 1144N -1.43 -0.54 0.00 2.40 0.00 -0.33 -4.91 105.19 100.38 1jcx n GLY 1144Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1jcx n GLY 1144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcx n GLY 1145N 0.97 0.52 3.72 -0.02 0.00 -0.57 -3.07 105.19 106.75 1jcx n GLY 1145Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1jcx n GLY 1145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcx s ALA 1146N -2.00 3.50 -0.02 4.61 0.00 -0.22 -4.86 121.76 122.78 1jcx s ALA 1146Ca 0.00 1.01 0.12 0.00 0.00 0.00 0.00 51.96 53.09 1jcx s ALA 1146Cb 0.00 -3.49 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 1jcx s ALA 1146CO 0.00 -0.52 0.27 1.63 0.00 0.00 0.00 175.76 177.13 1jcx n LYS 1147N 3.74 0.38 -3.94 0.00 5.02 -1.26 -4.33 118.16 117.76 1jcx n LYS 1147Ca 0.10 -0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 1jcx n LYS 1147Cb 0.44 -1.29 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 1jcx n LYS 1147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1jcx s GLU 1148N -2.84 1.50 -0.04 1.97 2.12 -1.26 -5.11 118.70 115.04 1jcx s GLU 1148Ca -0.04 -1.24 0.07 0.00 0.36 0.00 0.00 54.97 54.11 1jcx s GLU 1148Cb 0.08 -2.67 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 1jcx s GLU 1148CO 0.50 -0.74 -0.25 0.42 -0.54 0.00 0.00 175.26 174.66 1jcx s ILE 1149N 1.29 2.01 0.09 -3.70 1.01 -1.26 -1.24 121.20 119.39 1jcx s ILE 1149Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.68 1jcx s ILE 1149Cb -0.19 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1jcx s ILE 1149CO -0.09 0.56 -0.21 -0.31 0.00 0.00 0.00 174.94 174.88 1jcx s TYR 1150N -0.30 1.84 -0.10 3.97 1.51 0.28 -2.92 117.35 121.62 1jcx s TYR 1150Ca 0.01 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1jcx s TYR 1150Cb -0.12 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1jcx s TYR 1150CO 0.02 0.18 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.92 1jcx s LEU 1151N -1.72 1.99 -0.20 -1.29 1.43 -0.38 -1.14 118.68 117.37 1jcx s LEU 1151Ca 0.07 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1jcx s LEU 1151Cb -0.10 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 1jcx s LEU 1151CO 0.04 0.12 -0.03 -0.89 0.23 0.00 0.00 176.35 175.82 1jcx s THR 1152N 0.50 3.62 -0.15 5.49 2.01 -0.09 -0.55 115.64 126.47 1jcx s THR 1152Ca -0.16 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1jcx s THR 1152Cb -0.17 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1jcx s THR 1152CO 0.06 0.44 1.03 -0.70 -0.69 0.00 0.00 174.62 174.75 1jcx s GLU 1153N 1.12 4.36 -0.03 4.92 2.56 0.43 -0.74 118.70 131.32 1jcx s GLU 1153Ca 0.02 1.39 0.19 0.00 0.00 0.00 0.00 54.97 56.57 1jcx s GLU 1153Cb -0.15 -3.58 0.35 0.00 2.00 0.00 0.00 34.13 32.75 1jcx s GLU 1153CO 0.00 -0.44 1.14 2.89 -0.56 0.00 0.00 175.26 178.29 1jcx n ARG 1154N 5.54 0.23 0.00 4.30 -4.01 -1.26 -1.07 116.66 120.39 1jcx n ARG 1154Ca 0.10 -1.99 0.00 0.00 -1.04 0.00 0.00 57.85 54.92 1jcx n ARG 1154Cb 0.48 -0.33 0.00 0.00 -3.04 0.00 0.00 32.46 29.56 1jcx n ARG 1154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1jcx n GLY 1155N 0.15 0.76 3.08 2.89 0.00 -1.26 -3.98 105.19 106.82 1jcx n GLY 1155Ca 0.07 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 1jcx n GLY 1155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jcx s THR 1156N -2.65 0.79 0.02 2.61 2.01 0.27 -4.34 115.64 114.34 1jcx s THR 1156Ca 0.00 -0.86 -0.34 0.00 0.31 0.00 0.00 61.69 60.80 1jcx s THR 1156Cb 0.00 -0.74 -0.13 0.00 0.01 0.00 0.00 72.50 71.64 1jcx s THR 1156CO 0.00 -0.09 1.73 0.41 -0.69 0.00 0.00 174.62 175.98 1jcx n THR 1157N 1.99 0.30 -3.61 -0.82 -1.04 -0.55 -1.29 114.28 109.26 1jcx n THR 1157Ca -0.18 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1jcx n THR 1157Cb 0.55 -1.68 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 1jcx n THR 1157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1jcx s PHE 1158N 2.55 1.62 0.00 -1.42 5.36 -0.65 -4.84 117.98 120.61 1jcx s PHE 1158Ca 0.86 -2.25 0.00 0.00 -0.96 0.00 0.00 56.93 54.58 1jcx s PHE 1158Cb -0.70 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1jcx s PHE 1158CO 0.46 -0.79 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 1jcx n GLY 1159N 3.49 -0.60 3.84 13.12 0.00 -1.26 -4.29 105.19 119.48 1jcx n GLY 1159Ca 0.13 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1jcx n GLY 1159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jcx s TYR 1160N 0.00 3.72 -1.52 1.61 2.02 -1.26 -4.39 117.35 117.53 1jcx s TYR 1160Ca 0.00 0.98 -0.13 0.00 -0.37 0.00 0.00 57.07 57.55 1jcx s TYR 1160Cb 0.00 -2.28 0.08 0.00 -0.40 0.00 0.00 41.96 39.36 1jcx s TYR 1160CO 0.00 0.64 0.95 0.09 -1.57 0.00 0.00 175.55 175.66 1jcx n ASN 1161N 1.86 -4.40 -3.64 2.29 3.02 -1.26 -4.96 115.26 108.16 1jcx n ASN 1161Ca -0.14 -0.80 -0.15 0.00 -0.03 0.00 0.00 54.58 53.47 1jcx n ASN 1161Cb 0.52 -3.84 -0.08 0.00 -0.61 0.00 0.00 39.78 35.78 1jcx n ASN 1161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jcx s ASN 1162N -3.41 -0.60 0.05 6.41 3.04 -1.26 -3.96 114.94 115.21 1jcx s ASN 1162Ca 0.61 1.00 0.07 0.00 0.04 0.00 0.00 52.86 54.58 1jcx s ASN 1162Cb -0.30 1.00 -0.03 0.00 -1.54 0.00 0.00 41.25 40.38 1jcx s ASN 1162CO 0.83 -0.32 -0.21 -0.76 -3.04 0.00 0.00 177.10 173.60 1jcx s LEU 1163N -0.18 2.17 0.11 3.21 1.43 -1.26 -1.63 118.68 122.53 1jcx s LEU 1163Ca -0.04 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1jcx s LEU 1163Cb -0.03 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1jcx s LEU 1163CO 0.03 0.15 -0.25 0.54 0.23 0.00 0.00 176.35 177.05 1jcx s VAL 1164N -0.82 2.09 -0.32 -1.59 0.11 -0.41 -4.84 120.40 114.61 1jcx s VAL 1164Ca 0.07 -1.63 -0.10 0.00 -2.93 0.00 0.00 61.98 57.39 1jcx s VAL 1164Cb -0.09 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 32.91 1jcx s VAL 1164CO 0.02 0.10 0.17 -0.69 -3.33 0.00 0.00 175.10 171.37 1jcx s VAL 1165N -1.03 4.68 -0.70 2.04 1.01 -1.26 -0.57 120.40 124.57 1jcx s VAL 1165Ca 0.12 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1jcx s VAL 1165Cb -0.10 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 32.98 1jcx s VAL 1165CO 0.05 0.02 0.84 -0.62 0.00 0.00 0.00 175.10 175.39 1jcx s ASP 1166N 1.62 6.33 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.70 1jcx s ASP 1166Ca 0.04 -1.61 0.04 0.00 -0.52 0.00 0.00 52.55 50.50 1jcx s ASP 1166Cb -0.17 -2.33 0.18 0.00 -1.46 0.00 0.00 42.92 39.14 1jcx s ASP 1166CO 0.07 -1.11 1.06 0.49 0.52 0.00 0.00 175.17 176.20 1jcx n PHE 1167N 6.37 0.00 0.30 -5.34 3.01 -1.26 -1.22 117.46 119.32 1jcx n PHE 1167Ca 0.01 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.64 1jcx n PHE 1167Cb 0.45 -0.41 0.76 0.00 -0.01 0.00 0.00 39.48 40.26 1jcx n PHE 1167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jcx h ARG 1168N 0.00 0.00 0.00 -1.08 3.08 -2.03 -2.70 114.38 111.65 1jcx h ARG 1168Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1jcx h ARG 1168Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1jcx h ARG 1168CO 0.00 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.28 1jcx h SER 1169N 0.00 0.00 0.43 7.04 4.64 -1.59 -2.88 113.55 121.20 1jcx h SER 1169Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jcx h SER 1169Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jcx h SER 1169CO 0.00 0.28 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.96 1jcx h LEU 1170N 0.00 -0.50 -1.09 5.97 4.07 -1.70 0.04 115.31 122.10 1jcx h LEU 1170Ca -0.00 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 1jcx h LEU 1170Cb 0.50 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1jcx h LEU 1170CO 0.04 -0.36 -0.44 1.55 -1.08 0.00 0.00 178.44 178.15 1jcx h PRO 1171N -0.59 0.00 0.04 1.13 0.13 -1.74 -2.08 132.00 128.90 1jcx h PRO 1171Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jcx h PRO 1171Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1jcx h PRO 1171CO 0.10 0.44 -0.02 0.82 -0.23 0.00 0.00 178.00 179.10 1jcx h ILE 1172N 0.00 1.17 0.00 -3.56 2.04 -1.30 -3.15 117.51 112.71 1jcx h ILE 1172Ca -0.00 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 1jcx h ILE 1172Cb 0.81 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1jcx h ILE 1172CO 0.06 0.18 -0.32 0.24 0.00 0.00 0.00 178.15 178.31 1jcx h MET 1173N -0.37 0.00 0.00 2.37 2.86 -0.96 -2.61 114.93 116.21 1jcx h MET 1173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jcx h MET 1173Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1jcx h MET 1173CO 0.01 0.32 0.00 -0.22 1.06 0.00 0.00 176.91 178.08 1jcx h LYS 1174N 0.00 0.00 0.00 1.72 1.63 -1.33 -1.58 116.57 117.02 1jcx h LYS 1174Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1jcx h LYS 1174Cb 0.66 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1jcx h LYS 1174CO 0.04 0.00 -0.09 1.96 -3.45 0.00 0.00 179.45 177.91 1jcx h GLN 1175N 0.00 0.00 0.00 1.90 4.20 -1.52 -3.32 115.11 116.36 1jcx h GLN 1175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jcx h GLN 1175Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1jcx h GLN 1175CO 0.00 0.09 0.00 -2.67 -0.67 0.00 0.00 178.83 175.58 1jcx n TRP 1176N -3.93 0.00 -3.65 2.96 2.14 -0.63 -5.11 117.44 109.23 1jcx n TRP 1176Ca -0.02 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.48 1jcx n TRP 1176Cb 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.66 1jcx n TRP 1176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1jcx s ALA 1177N -0.07 -1.61 0.40 -1.67 0.00 -0.98 -5.00 121.76 112.83 1jcx s ALA 1177Ca 0.00 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 1jcx s ALA 1177Cb 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 1jcx s ALA 1177CO 0.00 -0.90 1.12 0.15 0.00 0.00 0.00 175.76 176.14 1jcx s LYS 1178N -3.45 4.07 -0.10 0.00 1.02 -1.15 -4.08 119.74 116.05 1jcx s LYS 1178Ca 0.08 1.71 0.02 0.00 0.02 0.00 0.00 55.97 57.80 1jcx s LYS 1178Cb -0.02 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1jcx s LYS 1178CO -0.03 -0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.06 1jcx s VAL 1179N -1.51 2.94 -0.01 3.17 1.01 -1.26 -1.25 120.40 123.49 1jcx s VAL 1179Ca 0.58 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1jcx s VAL 1179Cb -0.27 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1jcx s VAL 1179CO 0.34 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 175.18 1jcx s ILE 1180N -0.03 2.75 -0.21 2.22 -1.09 0.29 -0.08 121.20 125.05 1jcx s ILE 1180Ca -0.04 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.37 1jcx s ILE 1180Cb -0.14 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1jcx s ILE 1180CO 0.04 0.50 0.00 -0.47 -1.23 0.00 0.00 174.94 173.79 1jcx s TYR 1181N -0.77 3.03 -0.61 3.97 5.04 -0.59 -0.43 117.35 126.99 1jcx s TYR 1181Ca 0.12 -0.55 -0.24 0.00 -2.44 0.00 0.00 57.07 53.97 1jcx s TYR 1181Cb -0.10 -2.11 0.05 0.00 0.35 0.00 0.00 41.96 40.14 1jcx s TYR 1181CO 0.02 -0.32 1.00 0.34 -1.34 0.00 0.00 175.55 175.25 1jcx s ASP 1182N 1.18 6.27 0.42 4.32 -1.08 -0.23 -0.26 116.67 127.29 1jcx s ASP 1182Ca 0.03 -0.56 0.23 0.00 -0.52 0.00 0.00 52.55 51.73 1jcx s ASP 1182Cb -0.14 -2.45 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 1jcx s ASP 1182CO 0.01 -1.38 1.72 0.00 0.52 0.00 0.00 175.17 176.04 1jcx h ALA 1183N 9.49 0.93 0.04 3.66 0.00 -1.33 -3.24 119.26 128.80 1jcx h ALA 1183Ca -0.27 -0.19 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 1jcx h ALA 1183Cb 1.07 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1jcx h ALA 1183CO 1.15 0.27 -2.22 0.25 0.00 0.00 0.00 179.25 178.69 1jcx n THR 1184N -3.25 1.57 0.35 0.00 -2.24 -1.26 -4.44 114.28 105.01 1jcx n THR 1184Ca 0.01 -0.68 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1jcx n THR 1184Cb 0.50 -1.28 0.22 0.00 -2.10 0.00 0.00 70.33 67.67 1jcx n THR 1184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1jcx h HIS 1185N 0.02 0.00 0.00 4.78 3.86 -1.91 -3.31 115.15 118.59 1jcx h HIS 1185Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1jcx h HIS 1185Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 1jcx h HIS 1185CO 0.03 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.25 1jcx n SER 1186N -2.72 0.16 -0.10 2.45 7.64 -1.22 -3.08 113.62 116.75 1jcx n SER 1186Ca 0.04 0.53 0.03 0.00 1.01 0.00 0.00 58.87 60.49 1jcx n SER 1186Cb 0.50 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1jcx n SER 1186CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jcx n VAL 1187N -1.67 0.00 -2.36 0.44 0.24 -1.25 -4.69 118.33 109.04 1jcx n VAL 1187Ca 0.04 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 1jcx n VAL 1187Cb 0.24 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1jcx n VAL 1187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jcx s GLN 1188N -1.34 4.51 -0.54 7.34 -2.07 -1.18 -3.32 119.66 123.07 1jcx s GLN 1188Ca 0.05 1.90 -0.25 0.00 -1.82 0.00 0.00 55.36 55.24 1jcx s GLN 1188Cb 0.06 -3.21 0.04 0.00 -1.09 0.00 0.00 33.01 28.80 1jcx s GLN 1188CO 0.23 -0.04 0.97 -0.51 -1.32 0.00 0.00 175.29 174.62 1jcx s LEU 1189N -0.67 4.01 0.00 2.60 1.43 -1.26 -4.49 118.68 120.30 1jcx s LEU 1189Ca 0.51 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1jcx s LEU 1189Cb -0.33 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1jcx s LEU 1189CO 0.39 -1.22 0.00 -2.65 0.23 0.00 0.00 176.35 173.10 1jcx n PRO 1190N 7.51 0.00 -2.75 1.29 -0.02 -1.25 -4.92 135.00 134.86 1jcx n PRO 1190Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1jcx n PRO 1190Cb 0.48 -0.77 0.01 0.00 -0.02 0.00 0.00 33.50 33.20 1jcx n PRO 1190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcx n GLY 1199N 0.95 -0.63 3.50 -1.23 0.00 -1.26 -4.35 105.19 102.17 1jcx n GLY 1199Ca 0.00 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 1jcx n GLY 1199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jcx s MET 1200N 0.87 3.57 0.60 1.61 -1.94 -1.21 -4.65 119.30 118.14 1jcx s MET 1200Ca 0.30 -1.42 0.31 0.00 -1.71 0.00 0.00 55.69 53.16 1jcx s MET 1200Cb 0.02 -5.06 1.84 0.00 2.01 0.00 0.00 34.83 33.64 1jcx s MET 1200CO -0.07 -1.97 2.22 -0.09 -0.01 0.00 0.00 175.02 175.11 1jcx h ARG 1201N 9.30 0.00 0.00 2.03 2.43 -1.91 -2.24 114.38 123.99 1jcx h ARG 1201Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1jcx h ARG 1201Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1jcx h ARG 1201CO 1.25 0.00 0.00 1.05 -1.51 0.00 0.00 179.97 180.76 1jcx h GLU 1202N 0.00 0.00 -0.01 0.20 9.09 -1.95 -2.57 114.58 119.34 1jcx h GLU 1202Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1jcx h GLU 1202Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1jcx h GLU 1202CO -0.00 0.00 -0.70 1.19 0.05 0.00 0.00 179.01 179.55 1jcx n PHE 1203N -2.34 0.00 0.21 2.06 3.01 -0.84 -4.53 117.46 115.03 1jcx n PHE 1203Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 1jcx n PHE 1203Cb 0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 1jcx n PHE 1203CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1jcx h ILE 1204N 1.39 0.41 0.02 4.37 2.04 -1.59 -2.29 117.51 121.86 1jcx h ILE 1204Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jcx h ILE 1204Cb 0.64 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1jcx h ILE 1204CO 0.00 0.00 -0.01 0.15 0.00 0.00 0.00 178.15 178.29 1jcx h PHE 1205N -0.62 -0.03 -0.95 1.37 -0.00 -1.80 -2.05 116.94 112.86 1jcx h PHE 1205Ca -0.02 -0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.00 1jcx h PHE 1205Cb 0.55 0.01 -0.06 0.00 -0.00 0.00 0.00 35.95 36.45 1jcx h PHE 1205CO -0.16 0.12 0.61 -1.00 -0.00 0.00 0.00 178.31 177.89 1jcx h PRO 1206N -0.17 1.11 -0.04 6.41 0.13 -1.79 -1.94 132.00 135.71 1jcx h PRO 1206Ca -0.00 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1jcx h PRO 1206Cb 0.16 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.02 1jcx h PRO 1206CO 0.00 0.73 -0.46 -0.07 -0.23 0.00 0.00 178.00 177.97 1jcx h LEU 1207N 1.14 0.09 -0.74 1.56 3.38 -1.32 -2.26 115.31 117.17 1jcx h LEU 1207Ca 0.40 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.20 1jcx h LEU 1207Cb 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jcx h LEU 1207CO -0.16 0.54 -0.54 -0.29 0.09 0.00 0.00 178.44 178.09 1jcx h ILE 1208N 0.07 1.36 -0.73 1.22 2.10 -0.87 -1.39 117.51 119.27 1jcx h ILE 1208Ca 0.00 -1.83 -0.06 0.00 1.08 0.00 0.00 64.86 64.06 1jcx h ILE 1208Cb 0.85 1.89 -0.03 0.00 -1.09 0.00 0.00 36.82 38.43 1jcx h ILE 1208CO 0.06 0.54 0.23 0.03 -1.08 0.00 0.00 178.15 177.93 1jcx h ARG 1209N 0.20 1.13 -0.54 2.19 3.08 -0.96 -2.34 114.38 117.15 1jcx h ARG 1209Ca 0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1jcx h ARG 1209Cb 1.01 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1jcx h ARG 1209CO 0.08 0.97 0.24 0.00 -1.07 0.00 0.00 179.97 180.20 1jcx h ALA 1210N 1.11 0.70 -0.40 0.04 0.00 -1.03 -1.95 119.26 117.74 1jcx h ALA 1210Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1jcx h ALA 1210Cb 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jcx h ALA 1210CO -0.01 0.27 0.17 0.00 0.00 0.00 0.00 179.25 179.69 1jcx h ALA 1211N 1.08 0.48 0.00 0.00 0.00 -0.86 -0.09 119.26 119.87 1jcx h ALA 1211Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1jcx h ALA 1211Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jcx h ALA 1211CO -0.02 -0.20 -0.49 -0.39 0.00 0.00 0.00 179.25 178.14 1jcx h VAL 1212N 0.35 1.17 -0.23 0.00 -1.51 -1.34 0.91 116.25 115.61 1jcx h VAL 1212Ca 0.18 -1.80 -0.19 0.00 -1.23 0.00 0.00 66.70 63.66 1jcx h VAL 1212Cb 0.12 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1jcx h VAL 1212CO -0.15 0.48 -0.60 0.00 -1.23 0.00 0.00 177.57 176.07 1jcx h ALA 1213N 1.51 0.51 -0.18 5.19 0.00 -0.74 -3.02 119.26 122.53 1jcx h ALA 1213Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1jcx h ALA 1213Cb 0.99 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jcx h ALA 1213CO 0.06 0.69 -0.07 0.28 0.00 0.00 0.00 179.25 180.21 1jcx h VAL 1214N 0.56 1.30 0.00 0.00 2.07 -0.89 -3.47 116.25 115.81 1jcx h VAL 1214Ca -0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1jcx h VAL 1214Cb 1.19 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1jcx h VAL 1214CO 0.12 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1jcx n GLY 1215N -0.05 2.88 3.38 2.17 0.00 0.30 -4.87 105.19 109.00 1jcx n GLY 1215Ca -0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1jcx n GLY 1215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcx n ASP 1217N -0.72 2.14 0.00 0.00 8.00 0.89 -4.99 116.55 121.87 1jcx n ASP 1217Ca 0.02 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1jcx n ASP 1217Cb 0.63 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1jcx n ASP 1217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jcx n GLY 1218N 1.37 0.42 3.19 0.44 0.00 -1.13 -1.91 105.19 107.57 1jcx n GLY 1218Ca 0.12 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1jcx n GLY 1218CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jcx s VAL 1219N -2.00 1.14 -0.14 1.61 -7.23 0.31 -1.55 120.40 112.54 1jcx s VAL 1219Ca 0.00 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1jcx s VAL 1219Cb 0.00 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.68 1jcx s VAL 1219CO 0.00 -0.36 -0.22 0.12 -0.31 0.00 0.00 175.10 174.33 1jcx s PHE 1220N -1.81 2.67 -0.03 2.82 2.19 0.65 -0.86 117.98 123.60 1jcx s PHE 1220Ca 0.03 -1.36 -0.00 0.00 0.33 0.00 0.00 56.93 55.93 1jcx s PHE 1220Cb -0.07 -1.82 0.03 0.00 -1.31 0.00 0.00 43.02 39.85 1jcx s PHE 1220CO 0.02 -0.62 0.03 -1.64 1.83 0.00 0.00 175.22 174.83 1jcx s MET 1221N 0.84 0.10 -0.01 10.12 -1.94 0.26 -0.91 119.30 127.77 1jcx s MET 1221Ca -0.06 0.19 -0.23 0.00 -1.71 0.00 0.00 55.69 53.87 1jcx s MET 1221Cb -0.15 -0.42 -0.05 0.00 2.01 0.00 0.00 34.83 36.22 1jcx s MET 1221CO -0.03 -0.20 0.70 -1.21 -0.01 0.00 0.00 175.02 174.27 1jcx s GLU 1222N 1.34 4.43 0.01 2.03 2.02 -1.26 -2.80 118.70 124.46 1jcx s GLU 1222Ca -0.06 0.91 0.01 0.00 0.02 0.00 0.00 54.97 55.85 1jcx s GLU 1222Cb -0.13 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 1jcx s GLU 1222CO -0.03 0.23 -0.03 -0.08 0.02 0.00 0.00 175.26 175.37 1jcx s THR 1223N 0.19 0.22 -0.02 3.63 -1.32 0.00 -0.87 115.64 117.47 1jcx s THR 1223Ca 0.36 -0.48 -0.05 0.00 -1.21 0.00 0.00 61.69 60.31 1jcx s THR 1223Cb -0.19 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1jcx s THR 1223CO 0.20 -0.17 0.11 -2.28 -2.21 0.00 0.00 174.62 170.26 1jcx s HIS 1224N -0.66 -0.03 0.30 9.09 5.04 -0.44 -2.36 115.29 126.22 1jcx s HIS 1224Ca -0.06 0.08 0.02 0.00 -1.54 0.00 0.00 55.06 53.57 1jcx s HIS 1224Cb -0.05 -0.01 0.57 0.00 0.04 0.00 0.00 32.58 33.13 1jcx s HIS 1224CO -0.00 -0.15 1.87 -1.35 -2.34 0.00 0.00 174.74 172.77 1jcx h PRO 1225N 5.28 0.95 -2.32 2.88 0.11 -1.94 -1.11 132.00 135.85 1jcx h PRO 1225Ca -0.28 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.21 1jcx h PRO 1225Cb 1.20 -0.22 -0.37 0.00 0.11 0.00 0.00 31.00 31.72 1jcx h PRO 1225CO 0.42 0.63 -0.95 -1.21 -0.21 0.00 0.00 178.00 176.69 1jcx s GLU 1226N -5.90 0.87 0.32 1.05 2.02 -1.26 -4.44 118.70 111.36 1jcx s GLU 1226Ca -0.11 -1.99 0.09 0.00 0.02 0.00 0.00 54.97 52.97 1jcx s GLU 1226Cb 0.21 -1.34 0.95 0.00 0.10 0.00 0.00 34.13 34.05 1jcx s GLU 1226CO 0.80 -1.37 1.61 -1.35 0.02 0.00 0.00 175.26 174.97 1jcx h PRO 1227N 5.74 0.11 0.00 0.39 0.11 -1.86 0.29 132.00 136.78 1jcx h PRO 1227Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1jcx h PRO 1227Cb 0.92 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1jcx h PRO 1227CO 0.34 0.07 0.14 1.05 -0.21 0.00 0.00 178.00 179.40 1jcx h GLU 1228N 0.12 0.00 -0.45 1.05 4.11 -1.93 0.03 114.58 117.51 1jcx h GLU 1228Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.10 1jcx h GLU 1228Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1jcx h GLU 1228CO -0.75 0.00 0.00 1.63 0.07 0.00 0.00 179.01 179.96 1jcx n LYS 1229N -2.95 2.70 -1.88 1.06 5.02 1.00 -5.01 118.16 118.10 1jcx n LYS 1229Ca -0.02 -2.20 -0.34 0.00 -2.02 0.00 0.00 58.31 53.72 1jcx n LYS 1229Cb 0.20 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1jcx n LYS 1229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jcx s ALA 1230N -1.02 2.50 -2.64 7.82 0.00 -0.00 -4.94 121.76 123.48 1jcx s ALA 1230Ca 0.31 0.69 0.25 0.00 0.00 0.00 0.00 51.96 53.21 1jcx s ALA 1230Cb 0.16 -3.35 0.65 0.00 0.00 0.00 0.00 23.12 20.58 1jcx s ALA 1230CO 0.22 -1.19 1.52 1.28 0.00 0.00 0.00 175.76 177.58 1jcx n LEU 1231N -2.09 2.23 -3.63 0.00 4.77 -1.26 -4.63 117.00 112.38 1jcx n LEU 1231Ca 0.11 -0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 55.16 1jcx n LEU 1231Cb 0.51 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1jcx n LEU 1231CO 0.46 0.40 0.40 -0.94 -1.33 0.00 0.00 177.39 176.37 1jcx s SER 1232N -1.89 -0.72 -1.49 -1.43 1.04 -1.26 -4.44 113.70 103.51 1jcx s SER 1232Ca 0.34 1.36 -0.04 0.00 0.48 0.00 0.00 55.95 58.09 1jcx s SER 1232Cb 0.20 1.37 0.03 0.00 0.10 0.00 0.00 66.02 67.72 1jcx s SER 1232CO 0.31 -0.26 0.42 0.47 0.98 0.00 0.00 173.24 175.16 1jcx n ASP 1233N 2.59 -0.67 0.29 7.02 8.00 -1.26 -4.83 116.55 127.70 1jcx n ASP 1233Ca -0.14 -1.06 0.19 0.00 0.71 0.00 0.00 54.79 54.49 1jcx n ASP 1233Cb 0.55 -2.74 0.85 0.00 -0.02 0.00 0.00 41.12 39.76 1jcx n ASP 1233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jcx h ALA 1234N 0.84 1.00 0.00 2.24 0.00 -1.82 -1.75 119.26 119.78 1jcx h ALA 1234Ca -0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jcx h ALA 1234Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jcx h ALA 1234CO 0.67 0.00 -0.97 0.43 0.00 0.00 0.00 179.25 179.38 1jcx n SER 1235N -3.06 0.70 -0.00 0.00 7.64 -1.26 -4.10 113.62 113.54 1jcx n SER 1235Ca -0.01 0.13 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1jcx n SER 1235Cb 0.23 0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1jcx n SER 1235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jcx n THR 1236N -2.34 0.00 -2.15 0.44 -2.24 -1.01 -4.30 114.28 102.68 1jcx n THR 1236Ca 0.01 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1jcx n THR 1236Cb 0.50 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1jcx n THR 1236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jcx s GLN 1237N -2.24 4.35 0.10 -0.78 -0.21 -0.69 -4.85 119.66 115.34 1jcx s GLN 1237Ca -0.01 2.13 -0.30 0.00 0.02 0.00 0.00 55.36 57.20 1jcx s GLN 1237Cb 0.05 -3.17 -0.06 0.00 1.00 0.00 0.00 33.01 30.83 1jcx s GLN 1237CO 0.28 -0.30 1.02 -1.17 -2.12 0.00 0.00 175.29 173.00 1jcx s LEU 1238N -0.23 4.46 0.26 2.90 2.96 -0.04 -4.75 118.68 124.23 1jcx s LEU 1238Ca 0.57 1.85 -0.31 0.00 -0.22 0.00 0.00 54.13 56.02 1jcx s LEU 1238Cb -0.38 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.60 1jcx s LEU 1238CO 0.40 -0.18 1.65 -2.65 -1.32 0.00 0.00 176.35 174.25 1jcx n PRO 1239N 3.06 2.73 -0.25 0.98 -0.02 -1.26 -1.33 135.00 138.91 1jcx n PRO 1239Ca 0.04 0.98 0.18 0.00 -2.02 0.00 0.00 63.50 62.68 1jcx n PRO 1239Cb 0.49 -2.79 0.49 0.00 -0.02 0.00 0.00 33.50 31.67 1jcx n PRO 1239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jcx h LEU 1240N 5.64 0.44 -1.40 2.45 5.85 -1.41 -0.20 115.31 126.68 1jcx h LEU 1240Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1jcx h LEU 1240Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1jcx h LEU 1240CO 0.86 0.18 0.00 0.77 -0.34 0.00 0.00 178.44 179.91 1jcx h SER 1241N 0.44 0.00 0.30 1.25 4.64 -1.88 -2.45 113.55 115.85 1jcx h SER 1241Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1jcx h SER 1241Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1jcx h SER 1241CO -0.19 0.00 -0.64 0.00 -0.87 0.00 0.00 176.83 175.13 1jcx n GLN 1242N -2.59 0.11 -0.07 4.77 6.02 -0.09 -4.45 117.38 121.09 1jcx n GLN 1242Ca 0.00 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 1jcx n GLN 1242Cb 0.18 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1jcx n GLN 1242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jcx h LEU 1243N 0.19 0.25 -0.27 1.08 5.85 -1.47 -2.60 115.31 118.34 1jcx h LEU 1243Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1jcx h LEU 1243Cb 0.51 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1jcx h LEU 1243CO 0.00 0.18 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.16 1jcx h GLU 1244N 0.31 0.03 -0.74 1.25 4.81 -1.78 -1.14 114.58 117.33 1jcx h GLU 1244Ca 0.10 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1jcx h GLU 1244Cb -0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1jcx h GLU 1244CO -0.05 0.02 0.44 0.78 -0.73 0.00 0.00 179.01 179.47 1jcx h GLY 1245N 0.03 1.08 0.96 1.92 0.00 -1.82 -0.77 103.07 104.47 1jcx h GLY 1245Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1jcx h GLY 1245CO -0.25 0.44 0.17 -2.22 0.00 0.00 0.00 176.54 174.68 1jcx h ILE 1246N 1.01 1.22 -0.35 2.60 1.08 -1.07 -0.98 117.51 121.02 1jcx h ILE 1246Ca 0.26 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1jcx h ILE 1246Cb -0.02 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1jcx h ILE 1246CO -0.05 0.25 0.16 0.40 -0.69 0.00 0.00 178.15 178.23 1jcx h ILE 1247N 0.62 1.17 -0.49 -0.67 2.04 -0.97 -0.67 117.51 118.53 1jcx h ILE 1247Ca 0.15 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1jcx h ILE 1247Cb 0.23 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1jcx h ILE 1247CO -0.01 0.18 0.26 -0.08 0.00 0.00 0.00 178.15 178.50 1jcx h GLU 1248N 0.42 0.50 -0.38 2.37 4.57 -0.97 -0.98 114.58 120.11 1jcx h GLU 1248Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1jcx h GLU 1248Cb 0.13 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1jcx h GLU 1248CO -0.01 0.33 0.24 0.00 -1.18 0.00 0.00 179.01 178.38 1jcx h ALA 1249N 1.26 0.48 -0.01 2.92 0.00 -0.78 -1.73 119.26 121.39 1jcx h ALA 1249Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1jcx h ALA 1249Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jcx h ALA 1249CO -0.14 -0.04 -0.44 -0.84 0.00 0.00 0.00 179.25 177.79 1jcx h ILE 1250N 0.50 1.32 -0.45 0.00 3.07 -0.78 -1.62 117.51 119.56 1jcx h ILE 1250Ca 0.14 -1.52 -0.11 0.00 1.55 0.00 0.00 64.86 64.92 1jcx h ILE 1250Cb -0.03 1.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.31 1jcx h ILE 1250CO -0.03 0.44 -0.16 -0.07 -1.05 0.00 0.00 178.15 177.28 1jcx h LEU 1251N 0.03 0.85 -0.32 0.16 3.38 -0.86 -0.04 115.31 118.51 1jcx h LEU 1251Ca -0.00 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1jcx h LEU 1251Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1jcx h LEU 1251CO 0.06 1.00 -0.05 -0.33 0.09 0.00 0.00 178.44 179.22 1jcx h GLU 1252N 0.75 0.59 -0.43 1.13 5.08 -0.93 -1.87 114.58 118.91 1jcx h GLU 1252Ca 0.11 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1jcx h GLU 1252Cb 0.68 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1jcx h GLU 1252CO 0.05 0.76 -0.16 0.82 -1.00 0.00 0.00 179.01 179.48 1jcx h ILE 1253N 0.38 1.28 -0.35 3.13 2.04 -1.22 -2.68 117.51 120.09 1jcx h ILE 1253Ca 0.08 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1jcx h ILE 1253Cb 0.52 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1jcx h ILE 1253CO 0.03 0.44 0.15 -0.09 0.00 0.00 0.00 178.15 178.67 1jcx h ARG 1254N 0.69 0.31 -0.06 2.37 2.43 -0.96 -0.73 114.38 118.43 1jcx h ARG 1254Ca 0.10 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1jcx h ARG 1254Cb 0.71 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1jcx h ARG 1254CO 0.05 0.20 -0.04 1.49 -1.51 0.00 0.00 179.97 180.17 1jcx h GLU 1255N 0.32 -0.04 0.00 0.20 4.57 -1.24 0.42 114.58 118.81 1jcx h GLU 1255Ca 0.15 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1jcx h GLU 1255Cb 0.10 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1jcx h GLU 1255CO -0.13 -0.03 -0.44 -0.24 -1.18 0.00 0.00 179.01 176.99 1jcx h VAL 1256N -0.04 1.20 0.00 0.32 3.04 -1.32 -3.08 116.25 116.36 1jcx h VAL 1256Ca 0.04 -1.58 -0.20 0.00 -1.01 0.00 0.00 66.70 63.95 1jcx h VAL 1256Cb 0.10 1.88 -0.03 0.00 -2.01 0.00 0.00 31.29 31.22 1jcx h VAL 1256CO -0.09 0.43 -1.25 0.00 -1.01 0.00 0.00 177.57 175.66 1jcx h ALA 1257N 1.56 0.62 -0.99 3.17 0.00 -0.84 -3.40 119.26 119.38 1jcx h ALA 1257Ca -0.00 -0.98 0.32 0.00 0.00 0.00 0.00 54.91 54.24 1jcx h ALA 1257Cb 0.84 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1jcx h ALA 1257CO 0.06 1.15 0.55 0.66 0.00 0.00 0.00 179.25 181.66 1jcx h SER 1258N 0.00 0.48 0.40 0.00 4.64 -0.07 0.11 113.55 119.11 1jcx h SER 1258Ca -0.14 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jcx h SER 1258Cb 1.72 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1jcx h SER 1258CO 0.08 -0.14 0.00 0.07 -0.87 0.00 0.00 176.83 175.97 1jcx h LYS 1259N 0.32 0.00 -0.01 4.77 2.10 -1.77 -2.38 116.57 119.59 1jcx h LYS 1259Ca 0.72 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.37 1jcx h LYS 1259Cb 1.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 1jcx h LYS 1259CO -0.61 0.00 -0.53 0.66 -2.00 0.00 0.00 179.45 176.97 1jcx n TYR 1260N -2.60 0.00 -1.70 0.07 4.02 0.37 -4.95 117.16 112.36 1jcx n TYR 1260Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1jcx n TYR 1260Cb 0.15 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 1jcx n TYR 1260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jcx s TYR 1261N -2.57 2.41 0.56 -0.72 4.12 -0.90 -4.95 117.35 115.30 1jcx s TYR 1261Ca 0.17 0.09 -0.18 0.00 0.02 0.00 0.00 57.07 57.17 1jcx s TYR 1261Cb 0.18 -4.18 -0.05 0.00 -1.52 0.00 0.00 41.96 36.39 1jcx s TYR 1261CO 0.61 -4.74 1.09 -1.21 0.02 0.00 0.00 175.55 171.32 1jcx s GLU 1262N 2.16 3.37 -0.07 -0.62 8.01 -1.26 -5.01 118.70 125.28 1jcx s GLU 1262Ca 0.79 1.41 -0.23 0.00 0.01 0.00 0.00 54.97 56.95 1jcx s GLU 1262Cb -0.48 -2.03 -0.04 0.00 -4.31 0.00 0.00 34.13 27.28 1jcx s GLU 1262CO 0.35 -0.80 0.69 0.99 0.01 0.00 0.00 175.26 176.50 1jcx s THR 1263N -2.08 5.05 -2.13 3.63 2.01 -1.26 -5.17 115.64 115.68 1jcx s THR 1263Ca 0.68 1.43 0.31 0.00 0.31 0.00 0.00 61.69 64.42 1jcx s THR 1263Cb -0.19 -4.03 0.82 0.00 0.01 0.00 0.00 72.50 69.10 1jcx s THR 1263CO 0.30 0.26 2.10 2.30 -0.69 0.00 0.00 174.62 178.89