#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm6 s ALA 1003N 0.00 0.38 0.15 5.41 0.00 -1.20 -4.87 121.76 121.63 1jm6 s ALA 1003Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 1jm6 s ALA 1003Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1jm6 s ALA 1003CO 0.00 -3.47 1.53 -1.54 0.00 0.00 0.00 175.76 172.28 1jm6 s SER 1004N -3.42 6.65 0.00 0.00 1.04 -1.26 -4.80 113.70 111.90 1jm6 s SER 1004Ca 0.68 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.65 1jm6 s SER 1004Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1jm6 s SER 1004CO 0.58 -0.78 0.53 0.00 0.98 0.00 0.00 173.24 174.55 1jm6 n LEU 1005N 4.03 1.37 0.01 2.42 -0.00 -1.26 -2.60 117.00 120.96 1jm6 n LEU 1005Ca 0.13 -0.69 0.11 0.00 -0.00 0.00 0.00 56.01 55.56 1jm6 n LEU 1005Cb 0.39 -0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1jm6 n LEU 1005CO 0.61 0.26 -0.19 0.00 -0.00 0.00 0.00 177.39 178.07 1jm6 n ALA 1006N 0.34 3.83 0.91 1.47 0.00 -1.26 -4.09 120.51 121.71 1jm6 n ALA 1006Ca 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.06 1jm6 n ALA 1006Cb 0.26 -0.84 0.39 0.00 0.00 0.00 0.00 19.45 19.27 1jm6 n ALA 1006CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jm6 n GLY 1007N 1.40 -1.41 0.33 0.00 0.00 -1.07 -4.44 105.19 100.01 1jm6 n GLY 1007Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1jm6 n GLY 1007CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm6 n ALA 1008N -1.57 0.11 -0.28 4.61 0.00 -1.26 0.14 120.51 122.25 1jm6 n ALA 1008Ca 0.06 0.97 0.04 0.00 0.00 0.00 0.00 53.44 54.51 1jm6 n ALA 1008Cb 0.36 -0.54 0.18 0.00 0.00 0.00 0.00 19.45 19.45 1jm6 n ALA 1008CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jm6 h PRO 1009N 0.00 0.68 -0.21 0.00 0.11 -1.89 -2.26 132.00 128.42 1jm6 h PRO 1009Ca 0.40 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.26 1jm6 h PRO 1009Cb 0.62 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jm6 h PRO 1009CO -0.93 0.45 -0.67 0.87 -0.21 0.00 0.00 178.00 177.52 1jm6 h LYS 1010N 0.70 0.81 -0.78 1.05 1.57 -0.62 -3.10 116.57 116.19 1jm6 h LYS 1010Ca 0.41 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1jm6 h LYS 1010Cb 0.47 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1jm6 h LYS 1010CO -0.29 1.21 0.46 1.88 -0.57 0.00 0.00 179.45 182.13 1jm6 h TYR 1011N 0.59 1.03 0.02 -1.35 0.99 -0.87 -2.57 116.97 114.81 1jm6 h TYR 1011Ca -0.02 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1jm6 h TYR 1011Cb 1.28 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.67 1jm6 h TYR 1011CO 0.08 0.70 -0.01 0.82 -0.00 0.00 0.00 178.16 179.74 1jm6 h ILE 1012N 1.08 1.26 -0.38 -2.88 2.04 -1.40 -2.51 117.51 114.72 1jm6 h ILE 1012Ca 0.28 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.40 1jm6 h ILE 1012Cb -0.03 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1jm6 h ILE 1012CO -0.05 0.22 0.36 -0.08 0.00 0.00 0.00 178.15 178.60 1jm6 h GLU 1013N -0.39 0.00 0.05 2.37 4.57 -1.46 1.40 114.58 121.12 1jm6 h GLU 1013Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jm6 h GLU 1013Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1jm6 h GLU 1013CO 0.00 0.00 -0.03 1.25 -1.18 0.00 0.00 179.01 179.06 1jm6 h HIS 1014N 0.00 -0.07 0.00 0.92 2.76 -1.16 -3.14 115.15 114.47 1jm6 h HIS 1014Ca 0.18 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1jm6 h HIS 1014Cb 0.89 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1jm6 h HIS 1014CO 0.00 -0.04 0.00 0.74 -1.30 0.00 0.00 177.93 177.33 1jm6 h PHE 1015N -0.28 0.00 0.00 5.26 -1.00 -1.28 0.34 116.94 119.99 1jm6 h PHE 1015Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1jm6 h PHE 1015Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1jm6 h PHE 1015CO 0.03 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.18 1jm6 n SER 1016N -2.33 0.10 0.19 2.17 2.88 0.48 -2.67 113.62 114.45 1jm6 n SER 1016Ca 0.01 0.51 0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1jm6 n SER 1016Cb 0.16 -0.54 0.26 0.00 -0.75 0.00 0.00 64.21 63.34 1jm6 n SER 1016CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jm6 h LYS 1017N 0.00 0.00 -6.92 -1.46 1.63 -0.87 -3.46 116.57 105.50 1jm6 h LYS 1017Ca 0.00 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.34 1jm6 h LYS 1017Cb 0.53 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 32.20 1jm6 h LYS 1017CO 0.00 0.00 0.03 -0.06 -3.45 0.00 0.00 179.45 175.97 1jm6 s PHE 1018N -3.20 3.09 -0.03 1.91 0.40 -1.09 -5.10 117.98 113.96 1jm6 s PHE 1018Ca 0.08 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 1jm6 s PHE 1018Cb 0.07 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1jm6 s PHE 1018CO 0.64 -0.75 -0.15 0.45 0.70 0.00 0.00 175.22 176.11 1jm6 s SER 1019N -4.33 3.98 0.61 1.36 0.15 -1.26 -5.01 113.70 109.20 1jm6 s SER 1019Ca 0.54 -0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 1jm6 s SER 1019Cb -0.10 -0.80 -0.06 0.00 -1.71 0.00 0.00 66.02 63.35 1jm6 s SER 1019CO 0.41 0.33 0.77 -2.65 1.20 0.00 0.00 173.24 173.30 1jm6 n PRO 1020N 2.18 0.68 -3.97 5.44 -0.02 -1.26 -4.99 135.00 133.05 1jm6 n PRO 1020Ca -0.17 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 1jm6 n PRO 1020Cb 0.52 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1jm6 n PRO 1020CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jm6 s SER 1021N -1.27 4.45 0.29 2.55 1.04 -1.26 -5.10 113.70 114.39 1jm6 s SER 1021Ca 0.73 -1.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 1jm6 s SER 1021Cb -0.42 -1.42 -0.10 0.00 0.10 0.00 0.00 66.02 64.18 1jm6 s SER 1021CO 0.50 -0.33 1.44 -2.84 0.98 0.00 0.00 173.24 172.99 1jm6 s PRO 1022N 1.13 4.24 0.04 4.02 0.02 -1.26 -5.02 135.00 138.16 1jm6 s PRO 1022Ca 0.04 2.37 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 1jm6 s PRO 1022Cb -0.19 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 1jm6 s PRO 1022CO -0.10 -0.42 0.30 -0.51 -0.33 0.00 0.00 177.00 175.94 1jm6 s LEU 1023N -0.98 4.36 0.67 -5.54 1.02 -1.26 -4.84 118.68 112.10 1jm6 s LEU 1023Ca 0.57 0.59 -0.11 0.00 0.02 0.00 0.00 54.13 55.20 1jm6 s LEU 1023Cb -0.43 -2.81 -0.01 0.00 0.02 0.00 0.00 46.19 42.96 1jm6 s LEU 1023CO 0.49 0.21 1.05 -0.55 0.02 0.00 0.00 176.35 177.58 1jm6 s SER 1024N -1.82 5.70 0.55 2.29 0.15 -1.26 -1.67 113.70 117.63 1jm6 s SER 1024Ca 0.30 1.55 0.24 0.00 0.70 0.00 0.00 55.95 58.74 1jm6 s SER 1024Cb -0.13 -2.49 1.57 0.00 -1.71 0.00 0.00 66.02 63.26 1jm6 s SER 1024CO 0.18 -1.23 2.19 -0.03 1.20 0.00 0.00 173.24 175.55 1jm6 h MET 1025N -0.54 0.00 0.00 5.44 4.05 -0.84 -0.73 114.93 122.31 1jm6 h MET 1025Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1jm6 h MET 1025Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1jm6 h MET 1025CO 0.59 0.02 -0.07 1.63 0.23 0.00 0.00 176.91 179.31 1jm6 n LYS 1026N -4.08 0.11 0.03 0.39 5.02 -1.26 -1.73 118.16 116.64 1jm6 n LYS 1026Ca -0.03 0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1jm6 n LYS 1026Cb 0.11 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1jm6 n LYS 1026CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jm6 n GLN 1027N -1.80 0.62 -0.01 1.97 6.02 -0.34 -0.70 117.38 123.14 1jm6 n GLN 1027Ca 0.06 0.23 -0.17 0.00 -0.01 0.00 0.00 57.00 57.11 1jm6 n GLN 1027Cb 0.38 -1.81 -0.09 0.00 1.02 0.00 0.00 30.24 29.73 1jm6 n GLN 1027CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1jm6 h PHE 1028N 0.00 0.77 0.00 1.08 0.04 -1.31 -3.13 116.94 114.38 1jm6 h PHE 1028Ca -0.16 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.22 1jm6 h PHE 1028Cb 1.59 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.64 1jm6 h PHE 1028CO 0.00 1.18 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.76 1jm6 h LEU 1029N 0.14 0.00 0.00 1.54 4.07 -1.27 -2.83 115.31 116.95 1jm6 h LEU 1029Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1jm6 h LEU 1029Cb 1.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1jm6 h LEU 1029CO 0.13 0.06 0.00 0.47 -1.08 0.00 0.00 178.44 178.02 1jm6 n ASP 1030N -3.24 0.00 -2.03 -0.43 9.92 0.12 -2.56 116.55 118.33 1jm6 n ASP 1030Ca -0.01 -0.10 -0.20 0.00 -0.53 0.00 0.00 54.79 53.96 1jm6 n ASP 1030Cb 0.27 -0.21 0.15 0.00 -0.64 0.00 0.00 41.12 40.69 1jm6 n ASP 1030CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1jm6 n PHE 1031N -1.21 2.58 0.00 1.24 3.01 -1.07 0.15 117.46 122.16 1jm6 n PHE 1031Ca 0.09 -1.63 0.00 0.00 1.01 0.00 0.00 57.45 56.92 1jm6 n PHE 1031Cb 0.11 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1jm6 n PHE 1031CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jm6 n GLY 1032N -0.88 0.00 0.00 1.37 0.00 -1.06 -4.90 105.19 99.73 1jm6 n GLY 1032Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1jm6 n GLY 1032CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm6 n ALA 1036N 0.10 0.00 -4.22 4.61 0.00 0.40 -4.83 120.51 116.56 1jm6 n ALA 1036Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jm6 n ALA 1036Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1jm6 n ALA 1036CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jm6 h GLU 1038N 0.00 0.34 -0.97 0.00 4.81 -2.00 -2.95 114.58 113.82 1jm6 h GLU 1038Ca -0.13 -0.28 0.24 0.00 -0.13 0.00 0.00 59.36 59.06 1jm6 h GLU 1038Cb 0.39 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 1jm6 h GLU 1038CO 0.21 0.92 0.53 0.87 -0.73 0.00 0.00 179.01 180.81 1jm6 h LYS 1039N -0.15 0.51 -0.23 1.92 1.57 -1.98 1.69 116.57 119.90 1jm6 h LYS 1039Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jm6 h LYS 1039Cb 0.98 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1jm6 h LYS 1039CO 0.07 0.34 0.13 1.79 -0.57 0.00 0.00 179.45 181.21 1jm6 h THR 1040N 0.53 1.11 0.39 -0.16 1.35 -1.96 0.04 112.91 114.21 1jm6 h THR 1040Ca 0.62 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 66.19 1jm6 h THR 1040Cb 1.16 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 1jm6 h THR 1040CO -0.49 0.10 -0.48 -1.28 -0.25 0.00 0.00 175.52 173.12 1jm6 h SER 1041N 0.27 -1.36 -0.83 5.36 0.87 0.25 -1.37 113.55 116.74 1jm6 h SER 1041Ca 0.08 0.12 0.18 0.00 -1.23 0.00 0.00 61.79 60.94 1jm6 h SER 1041Cb 0.05 0.46 -0.11 0.00 -0.44 0.00 0.00 62.40 62.37 1jm6 h SER 1041CO -0.01 -0.62 0.33 0.15 -0.53 0.00 0.00 176.83 176.15 1jm6 h PHE 1042N -0.91 0.56 0.00 2.24 3.57 -0.37 0.99 116.94 123.02 1jm6 h PHE 1042Ca -0.04 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1jm6 h PHE 1042Cb 0.82 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1jm6 h PHE 1042CO -0.29 0.00 -0.25 1.15 -2.23 0.00 0.00 178.31 176.69 1jm6 h THR 1043N 0.42 0.56 0.10 4.41 2.02 -0.49 -1.10 112.91 118.83 1jm6 h THR 1043Ca 0.48 -1.29 -0.37 0.00 0.77 0.00 0.00 66.41 66.01 1jm6 h THR 1043Cb 0.83 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1jm6 h THR 1043CO -0.48 0.25 -2.09 0.33 0.37 0.00 0.00 175.52 173.91 1jm6 n PHE 1044N -3.34 1.00 -0.19 3.16 7.35 -0.56 -4.06 117.46 120.82 1jm6 n PHE 1044Ca 0.01 0.22 -0.09 0.00 -0.76 0.00 0.00 57.45 56.82 1jm6 n PHE 1044Cb 0.48 -1.13 0.01 0.00 0.35 0.00 0.00 39.48 39.20 1jm6 n PHE 1044CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jm6 h LEU 1045N 0.03 0.91 0.00 -2.13 4.07 0.10 0.40 115.31 118.69 1jm6 h LEU 1045Ca -0.46 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.22 1jm6 h LEU 1045Cb 1.99 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1jm6 h LEU 1045CO 0.05 0.97 0.00 -2.11 -1.08 0.00 0.00 178.44 176.26 1jm6 n ARG 1046N -4.31 0.11 -0.10 1.13 1.85 -0.42 -0.54 116.66 114.38 1jm6 n ARG 1046Ca 0.02 0.20 -0.15 0.00 -1.00 0.00 0.00 57.85 56.92 1jm6 n ARG 1046Cb 0.30 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.12 1jm6 n ARG 1046CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1jm6 n GLN 1047N -1.39 0.49 -0.03 2.89 -0.06 -1.00 -4.58 117.38 113.70 1jm6 n GLN 1047Ca 0.05 0.13 -0.13 0.00 -2.00 0.00 0.00 57.00 55.05 1jm6 n GLN 1047Cb 0.14 -1.38 -0.09 0.00 -4.06 0.00 0.00 30.24 24.85 1jm6 n GLN 1047CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1jm6 h GLU 1048N -0.11 0.13 -0.17 3.69 4.57 0.13 -2.89 114.58 119.92 1jm6 h GLU 1048Ca -0.46 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1jm6 h GLU 1048Cb 1.66 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.21 1jm6 h GLU 1048CO -0.11 0.63 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.20 1jm6 h LEU 1049N -0.37 -0.30 -1.51 1.64 3.38 -1.02 -0.41 115.31 116.72 1jm6 h LEU 1049Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jm6 h LEU 1049Cb 0.62 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1jm6 h LEU 1049CO 0.02 -0.12 0.26 -0.65 0.09 0.00 0.00 178.44 178.04 1jm6 h PRO 1050N -0.07 0.59 -0.25 1.13 0.11 -1.75 -1.29 132.00 130.47 1jm6 h PRO 1050Ca 0.10 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1jm6 h PRO 1050Cb 0.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1jm6 h PRO 1050CO -0.22 0.42 0.10 0.28 -0.21 0.00 0.00 178.00 178.37 1jm6 h VAL 1051N 0.60 1.17 -0.21 3.15 2.07 -0.89 -0.46 116.25 121.67 1jm6 h VAL 1051Ca 0.16 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 1jm6 h VAL 1051Cb -0.01 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1jm6 h VAL 1051CO -0.03 0.17 -0.49 0.03 0.02 0.00 0.00 177.57 177.26 1jm6 h ARG 1052N 0.26 0.58 0.54 1.57 3.08 -1.07 -2.03 114.38 117.32 1jm6 h ARG 1052Ca 0.08 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1jm6 h ARG 1052Cb 0.17 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.25 1jm6 h ARG 1052CO -0.01 0.94 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.50 1jm6 h LEU 1053N 0.46 -0.62 -1.89 3.04 3.38 -1.12 -2.48 115.31 116.08 1jm6 h LEU 1053Ca 0.02 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.22 1jm6 h LEU 1053Cb 1.03 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1jm6 h LEU 1053CO 0.10 -0.41 0.54 0.00 0.09 0.00 0.00 178.44 178.75 1jm6 h ALA 1054N -1.59 2.58 -0.14 1.53 0.00 -1.13 0.14 119.26 120.64 1jm6 h ALA 1054Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jm6 h ALA 1054Cb 0.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jm6 h ALA 1054CO 0.12 -0.80 -0.02 -0.91 0.00 0.00 0.00 179.25 177.65 1jm6 h ASN 1055N 0.09 0.26 0.87 0.00 4.21 -1.27 -2.10 115.58 117.64 1jm6 h ASN 1055Ca 0.37 -0.35 -0.19 0.00 1.21 0.00 0.00 56.30 57.34 1jm6 h ASN 1055Cb 1.32 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jm6 h ASN 1055CO -0.04 0.55 -0.90 -0.29 -1.29 0.00 0.00 177.43 175.46 1jm6 h ILE 1056N -0.03 1.63 -0.10 2.81 6.09 -0.79 -3.15 117.51 123.97 1jm6 h ILE 1056Ca 0.04 -3.04 -0.08 0.00 -1.37 0.00 0.00 64.86 60.40 1jm6 h ILE 1056Cb 0.43 2.65 -0.01 0.00 0.47 0.00 0.00 36.82 40.36 1jm6 h ILE 1056CO 0.01 0.87 -0.31 0.24 -3.07 0.00 0.00 178.15 175.90 1jm6 h MET 1057N 0.01 0.19 0.00 2.19 2.86 -0.78 -1.87 114.93 117.53 1jm6 h MET 1057Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1jm6 h MET 1057Cb 1.59 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1jm6 h MET 1057CO 0.12 0.48 0.00 1.17 1.06 0.00 0.00 176.91 179.74 1jm6 n LYS 1058N -4.12 0.05 -0.04 1.72 4.81 -0.79 -2.30 118.16 117.47 1jm6 n LYS 1058Ca -0.01 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1jm6 n LYS 1058Cb 0.39 -1.59 -0.13 0.00 0.02 0.00 0.00 35.03 33.72 1jm6 n LYS 1058CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jm6 n GLU 1059N -1.68 0.93 -0.20 1.64 1.02 -0.81 -3.99 120.64 117.57 1jm6 n GLU 1059Ca 0.03 -0.08 0.16 0.00 -0.02 0.00 0.00 57.16 57.25 1jm6 n GLU 1059Cb 0.18 -1.42 0.49 0.00 -0.02 0.00 0.00 31.44 30.67 1jm6 n GLU 1059CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1jm6 h ILE 1060N 0.00 0.77 -0.00 -3.67 2.04 -0.94 0.43 117.51 116.14 1jm6 h ILE 1060Ca -0.22 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1jm6 h ILE 1060Cb 1.41 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1jm6 h ILE 1060CO 0.01 0.08 -0.25 0.59 0.00 0.00 0.00 178.15 178.58 1jm6 n ASN 1061N -4.50 0.29 0.01 1.72 3.02 -1.19 -2.81 115.26 111.80 1jm6 n ASN 1061Ca 0.16 0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.88 1jm6 n ASN 1061Cb 0.57 -0.10 0.55 0.00 -0.61 0.00 0.00 39.78 40.19 1jm6 n ASN 1061CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jm6 n LEU 1062N -1.45 0.08 -4.64 3.41 4.32 0.15 -4.82 117.00 114.05 1jm6 n LEU 1062Ca 0.07 0.51 -0.32 0.00 -0.02 0.00 0.00 56.01 56.25 1jm6 n LEU 1062Cb 0.33 -0.49 0.15 0.00 -1.62 0.00 0.00 43.42 41.80 1jm6 n LEU 1062CO 0.31 -0.07 0.60 -0.11 -1.22 0.00 0.00 177.39 176.90 1jm6 n LEU 1063N -1.57 3.16 -4.77 2.23 7.94 -1.04 -4.96 117.00 117.98 1jm6 n LEU 1063Ca 0.06 0.46 -0.41 0.00 -1.11 0.00 0.00 56.01 55.01 1jm6 n LEU 1063Cb 0.31 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.80 1jm6 n LEU 1063CO 0.25 -2.23 0.98 -2.84 -1.11 0.00 0.00 177.39 172.44 1jm6 s PRO 1064N -4.34 4.33 0.50 1.96 0.02 -1.26 -4.86 135.00 131.35 1jm6 s PRO 1064Ca 0.67 2.22 0.31 0.00 0.02 0.00 0.00 61.00 64.23 1jm6 s PRO 1064Cb -0.25 -3.05 1.42 0.00 0.02 0.00 0.00 34.50 32.64 1jm6 s PRO 1064CO 0.57 -0.22 1.80 -0.44 -0.33 0.00 0.00 177.00 178.38 1jm6 h ASP 1065N 3.32 0.13 0.03 2.53 3.45 -1.93 -1.61 116.42 122.35 1jm6 h ASP 1065Ca -0.49 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.00 1jm6 h ASP 1065Cb 1.23 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1jm6 h ASP 1065CO 0.65 0.02 -0.02 0.03 -1.57 0.00 0.00 179.24 178.35 1jm6 h ARG 1066N 0.11 -0.04 0.00 3.56 2.47 -1.98 -3.15 114.38 115.35 1jm6 h ARG 1066Ca 0.57 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 59.06 1jm6 h ARG 1066Cb 2.02 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 30.31 1jm6 h ARG 1066CO -0.10 0.01 -1.57 1.55 0.56 0.00 0.00 179.97 180.42 1jm6 n VAL 1067N -5.09 1.41 -0.14 2.04 3.14 -0.67 -4.14 118.33 114.89 1jm6 n VAL 1067Ca -0.07 -0.75 -0.07 0.00 -2.96 0.00 0.00 64.34 60.49 1jm6 n VAL 1067Cb 0.06 -0.90 0.09 0.00 -1.06 0.00 0.00 33.84 32.03 1jm6 n VAL 1067CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1jm6 h LEU 1068N 0.00 0.87 -0.20 6.55 6.46 -1.51 -2.14 115.31 125.34 1jm6 h LEU 1068Ca -0.23 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1jm6 h LEU 1068Cb 1.81 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1jm6 h LEU 1068CO 0.06 0.98 0.00 -1.54 -0.62 0.00 0.00 178.44 177.33 1jm6 n SER 1069N -4.16 0.17 -4.76 1.25 3.41 -1.19 -3.50 113.62 104.83 1jm6 n SER 1069Ca 0.02 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.57 1jm6 n SER 1069Cb 0.37 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1jm6 n SER 1069CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jm6 s THR 1070N -1.80 4.87 0.41 6.66 2.01 -0.80 -4.94 115.64 122.05 1jm6 s THR 1070Ca 0.00 1.32 0.12 0.00 0.31 0.00 0.00 61.69 63.44 1jm6 s THR 1070Cb 0.00 -3.96 0.33 0.00 0.01 0.00 0.00 72.50 68.87 1jm6 s THR 1070CO 0.00 0.41 1.96 -0.65 -0.69 0.00 0.00 174.62 175.65 1jm6 h PRO 1071N 5.59 0.48 -0.46 4.92 0.11 -1.88 0.36 132.00 141.12 1jm6 h PRO 1071Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1jm6 h PRO 1071Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1jm6 h PRO 1071CO 0.70 0.32 0.14 0.77 -0.21 0.00 0.00 178.00 179.71 1jm6 h SER 1072N 0.49 0.69 0.35 -2.05 0.02 -1.92 0.22 113.55 111.34 1jm6 h SER 1072Ca 0.31 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1jm6 h SER 1072Cb 0.57 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jm6 h SER 1072CO -0.10 0.72 -0.17 0.58 -1.14 0.00 0.00 176.83 176.72 1jm6 h VAL 1073N 0.62 0.56 -0.26 2.27 2.07 -1.44 -1.78 116.25 118.29 1jm6 h VAL 1073Ca 0.15 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1jm6 h VAL 1073Cb 0.28 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1jm6 h VAL 1073CO -0.00 0.11 0.19 1.56 0.02 0.00 0.00 177.57 179.45 1jm6 h GLN 1074N -0.88 0.00 -0.29 1.57 4.20 -0.34 0.81 115.11 120.18 1jm6 h GLN 1074Ca -0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1jm6 h GLN 1074Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1jm6 h GLN 1074CO 0.08 0.00 -0.18 1.25 -0.67 0.00 0.00 178.83 179.31 1jm6 h LEU 1075N 0.00 0.66 -0.90 1.46 5.85 -0.46 -1.52 115.31 120.40 1jm6 h LEU 1075Ca 0.12 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1jm6 h LEU 1075Cb 0.51 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1jm6 h LEU 1075CO -0.00 0.94 0.38 0.58 -0.34 0.00 0.00 178.44 180.01 1jm6 h VAL 1076N 0.38 1.25 -0.66 1.05 2.07 -0.10 -2.90 116.25 117.34 1jm6 h VAL 1076Ca 0.06 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1jm6 h VAL 1076Cb 0.71 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1jm6 h VAL 1076CO 0.05 0.31 0.17 -0.61 0.02 0.00 0.00 177.57 177.51 1jm6 h GLN 1077N 1.16 1.06 -0.82 1.57 4.15 -0.72 -1.83 115.11 119.68 1jm6 h GLN 1077Ca 0.28 -0.25 0.08 0.00 0.77 0.00 0.00 58.65 59.54 1jm6 h GLN 1077Cb 0.13 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 1jm6 h GLN 1077CO -0.03 0.94 0.54 1.03 -1.93 0.00 0.00 178.83 179.37 1jm6 h SER 1078N 0.98 0.74 0.03 -0.69 0.87 -1.15 -1.25 113.55 113.07 1jm6 h SER 1078Ca 0.21 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jm6 h SER 1078Cb 0.35 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1jm6 h SER 1078CO 0.00 0.45 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.24 1jm6 h TRP 1079N 0.83 -0.03 -0.70 2.24 6.55 -1.15 -2.26 115.95 121.42 1jm6 h TRP 1079Ca 0.37 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.21 1jm6 h TRP 1079Cb 0.36 0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 1jm6 h TRP 1079CO -0.00 0.06 0.43 1.88 -1.05 0.00 0.00 178.44 179.76 1jm6 h TYR 1080N -0.12 0.92 -0.24 0.49 -1.99 -0.84 0.18 116.97 115.38 1jm6 h TYR 1080Ca -0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 1jm6 h TYR 1080Cb 0.11 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.49 1jm6 h TYR 1080CO -0.05 0.62 -0.07 0.28 -0.00 0.00 0.00 178.16 178.94 1jm6 h VAL 1081N 0.96 0.73 -0.61 -2.88 2.07 -1.23 0.19 116.25 115.48 1jm6 h VAL 1081Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1jm6 h VAL 1081Cb -0.04 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1jm6 h VAL 1081CO -0.05 0.00 0.14 -0.61 0.02 0.00 0.00 177.57 177.07 1jm6 h GLN 1082N -0.02 0.99 -0.31 1.57 5.75 -0.84 -0.63 115.11 121.62 1jm6 h GLN 1082Ca 0.12 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1jm6 h GLN 1082Cb 0.20 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1jm6 h GLN 1082CO -0.26 0.90 0.13 0.77 -2.65 0.00 0.00 178.83 177.73 1jm6 h SER 1083N 0.90 0.42 -0.60 -0.69 0.02 -0.29 0.12 113.55 113.42 1jm6 h SER 1083Ca 0.19 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1jm6 h SER 1083Cb 0.37 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1jm6 h SER 1083CO 0.00 0.46 0.26 0.25 -1.14 0.00 0.00 176.83 176.67 1jm6 h LEU 1084N 0.35 0.32 -0.75 5.07 5.85 -0.39 -1.38 115.31 124.38 1jm6 h LEU 1084Ca 0.10 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1jm6 h LEU 1084Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1jm6 h LEU 1084CO -0.01 0.20 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.84 1jm6 h LEU 1085N 0.48 0.52 -0.23 2.25 3.38 -0.68 -1.36 115.31 119.67 1jm6 h LEU 1085Ca 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jm6 h LEU 1085Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1jm6 h LEU 1085CO -0.25 0.86 0.14 0.44 0.09 0.00 0.00 178.44 179.72 1jm6 h ASP 1086N 0.41 0.27 -0.22 -0.43 3.45 -0.36 -3.04 116.42 116.50 1jm6 h ASP 1086Ca 0.04 -0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1jm6 h ASP 1086Cb 0.86 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1jm6 h ASP 1086CO 0.07 0.22 -0.25 0.40 -1.57 0.00 0.00 179.24 178.11 1jm6 h ILE 1087N 0.29 1.27 0.00 0.35 2.04 -1.07 -3.12 117.51 117.27 1jm6 h ILE 1087Ca 0.08 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1jm6 h ILE 1087Cb -0.01 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1jm6 h ILE 1087CO -0.02 0.45 -0.01 0.24 0.00 0.00 0.00 178.15 178.81 1jm6 h MET 1088N 0.61 0.00 0.00 2.37 2.86 -1.13 -1.18 114.93 118.46 1jm6 h MET 1088Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1jm6 h MET 1088Cb 0.75 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1jm6 h MET 1088CO 0.06 0.01 -0.10 0.93 1.06 0.00 0.00 176.91 178.86 1jm6 h GLU 1089N 0.00 0.00 -0.28 1.72 4.39 -1.53 -2.15 114.58 116.72 1jm6 h GLU 1089Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jm6 h GLU 1089Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1jm6 h GLU 1089CO 0.00 0.10 0.00 1.19 -1.16 0.00 0.00 179.01 179.15 1jm6 n PHE 1090N -3.81 0.37 0.32 4.33 3.01 -0.44 -4.14 117.46 117.09 1jm6 n PHE 1090Ca -0.02 -0.19 0.15 0.00 1.01 0.00 0.00 57.45 58.41 1jm6 n PHE 1090Cb 0.21 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.27 1jm6 n PHE 1090CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1jm6 h LEU 1091N 1.85 0.00 -3.23 4.37 3.38 -1.54 -3.21 115.31 116.94 1jm6 h LEU 1091Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1jm6 h LEU 1091Cb 0.42 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.88 1jm6 h LEU 1091CO 0.00 0.00 -0.90 -0.90 0.09 0.00 0.00 178.44 176.73 1jm6 n ASP 1092N -2.84 1.37 -4.75 -0.43 5.68 -1.26 -5.06 116.55 109.27 1jm6 n ASP 1092Ca 0.01 -2.57 -0.31 0.00 -0.50 0.00 0.00 54.79 51.42 1jm6 n ASP 1092Cb 0.30 -0.38 -0.07 0.00 -1.14 0.00 0.00 41.12 39.83 1jm6 n ASP 1092CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jm6 s LYS 1093N -1.30 2.86 -0.41 0.11 1.02 -1.21 -5.04 119.74 115.76 1jm6 s LYS 1093Ca 0.35 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 1jm6 s LYS 1093Cb 0.38 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 1jm6 s LYS 1093CO -0.13 0.59 2.17 0.34 -0.92 0.00 0.00 175.35 177.40 1jm6 s ASP 1094N -2.09 5.08 0.41 2.83 2.15 -1.26 -4.87 116.67 118.92 1jm6 s ASP 1094Ca 0.26 1.22 0.15 0.00 0.43 0.00 0.00 52.55 54.61 1jm6 s ASP 1094Cb -0.12 -2.51 1.02 0.00 -0.30 0.00 0.00 42.92 41.01 1jm6 s ASP 1094CO 0.18 -2.36 1.89 -0.65 -0.17 0.00 0.00 175.17 174.06 1jm6 h PRO 1095N 16.51 0.44 0.00 4.34 0.11 -1.96 0.02 132.00 151.47 1jm6 h PRO 1095Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1jm6 h PRO 1095Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jm6 h PRO 1095CO 1.09 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 179.57 1jm6 n GLU 1096N -4.50 0.80 -4.34 1.05 -0.58 -1.26 -4.75 120.64 107.06 1jm6 n GLU 1096Ca 0.16 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.56 1jm6 n GLU 1096Cb 0.57 -1.19 -0.13 0.00 -0.57 0.00 0.00 31.44 30.12 1jm6 n GLU 1096CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1jm6 s ASP 1097N -1.51 4.67 0.23 1.62 -1.08 -0.01 -5.01 116.67 115.58 1jm6 s ASP 1097Ca 0.15 -0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 51.93 1jm6 s ASP 1097Cb 0.07 -1.77 0.37 0.00 -1.46 0.00 0.00 42.92 40.13 1jm6 s ASP 1097CO 0.11 0.13 1.76 0.45 0.52 0.00 0.00 175.17 178.15 1jm6 h HIS 1098N 6.97 0.60 -0.26 -5.34 3.86 -1.85 -2.61 115.15 116.52 1jm6 h HIS 1098Ca -0.32 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.85 1jm6 h HIS 1098Cb 1.19 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1jm6 h HIS 1098CO 0.54 0.18 -0.10 0.00 0.86 0.00 0.00 177.93 179.41 1jm6 h ARG 1099N 0.56 0.53 -0.84 2.45 2.47 -1.95 -3.01 114.38 114.60 1jm6 h ARG 1099Ca 0.37 -0.22 0.08 0.00 -1.26 0.00 0.00 59.98 58.94 1jm6 h ARG 1099Cb 0.44 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.67 1jm6 h ARG 1099CO -0.30 0.77 0.50 0.00 0.56 0.00 0.00 179.97 181.50 1jm6 h THR 1100N 0.27 0.96 0.05 2.04 1.03 -1.75 -0.01 112.91 115.51 1jm6 h THR 1100Ca 0.06 -0.30 -0.00 0.00 -0.01 0.00 0.00 66.41 66.16 1jm6 h THR 1100Cb 0.60 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.70 1jm6 h THR 1100CO 0.03 0.16 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.61 1jm6 h LEU 1101N 0.87 -0.06 -0.32 0.00 -0.00 -1.48 -1.88 115.31 112.43 1jm6 h LEU 1101Ca 0.39 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1jm6 h LEU 1101Cb 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1jm6 h LEU 1101CO -0.22 0.32 0.00 -1.54 -0.00 0.00 0.00 178.44 177.01 1jm6 n SER 1102N -4.94 0.32 0.08 -0.43 3.41 -1.09 -1.57 113.62 109.39 1jm6 n SER 1102Ca -0.08 0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 58.94 1jm6 n SER 1102Cb 0.21 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.37 1jm6 n SER 1102CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jm6 h GLN 1103N 0.00 0.26 0.06 4.33 4.20 -0.88 -2.81 115.11 120.27 1jm6 h GLN 1103Ca 0.00 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1jm6 h GLN 1103Cb 0.32 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1jm6 h GLN 1103CO 0.00 1.15 -0.03 0.35 -0.67 0.00 0.00 178.83 179.63 1jm6 h PHE 1104N 0.07 -0.08 -0.28 2.96 3.57 -0.44 -0.49 116.94 122.25 1jm6 h PHE 1104Ca -0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1jm6 h PHE 1104Cb 2.00 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.75 1jm6 h PHE 1104CO 0.06 0.21 0.06 1.15 -2.23 0.00 0.00 178.31 177.56 1jm6 h THR 1105N -0.37 1.14 -0.78 4.41 2.02 -1.49 0.11 112.91 117.95 1jm6 h THR 1105Ca -0.01 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1jm6 h THR 1105Cb 0.33 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1jm6 h THR 1105CO 0.01 0.18 0.39 0.44 0.37 0.00 0.00 175.52 176.91 1jm6 h ASP 1106N 0.40 1.00 -0.23 4.18 5.19 -1.27 -2.11 116.42 123.59 1jm6 h ASP 1106Ca 0.10 -0.11 -0.20 0.00 -0.62 0.00 0.00 57.03 56.20 1jm6 h ASP 1106Cb 0.18 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 39.44 1jm6 h ASP 1106CO -0.00 0.83 -0.64 0.00 -3.12 0.00 0.00 179.24 176.31 1jm6 h ALA 1107N 1.32 0.38 -0.09 3.45 0.00 -0.17 -3.02 119.26 121.13 1jm6 h ALA 1107Ca 0.27 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1jm6 h ALA 1107Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jm6 h ALA 1107CO -0.04 0.66 -0.22 -0.07 0.00 0.00 0.00 179.25 179.59 1jm6 h LEU 1108N 0.59 0.15 -0.41 0.00 3.38 -0.61 -1.83 115.31 116.58 1jm6 h LEU 1108Ca -0.02 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1jm6 h LEU 1108Cb 1.26 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1jm6 h LEU 1108CO 0.14 0.38 -0.58 0.58 0.09 0.00 0.00 178.44 179.04 1jm6 h VAL 1109N 0.14 1.31 -0.39 1.22 2.07 -1.39 -0.88 116.25 118.34 1jm6 h VAL 1109Ca 0.03 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 1jm6 h VAL 1109Cb 0.47 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1jm6 h VAL 1109CO 0.03 0.57 0.10 0.74 0.02 0.00 0.00 177.57 179.03 1jm6 h THR 1110N 0.50 1.23 -0.31 2.57 2.02 -1.29 -1.55 112.91 116.07 1jm6 h THR 1110Ca 0.00 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1jm6 h THR 1110Cb 1.16 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1jm6 h THR 1110CO 0.12 0.27 0.09 0.40 0.37 0.00 0.00 175.52 176.77 1jm6 h ILE 1111N 0.48 1.21 -0.48 3.11 2.04 -1.23 -0.39 117.51 122.24 1jm6 h ILE 1111Ca 0.12 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jm6 h ILE 1111Cb 0.30 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1jm6 h ILE 1111CO 0.00 0.23 0.30 -0.09 0.00 0.00 0.00 178.15 178.59 1jm6 h ARG 1112N 0.35 0.65 -0.12 2.37 2.43 -1.09 -1.04 114.38 117.93 1jm6 h ARG 1112Ca 0.10 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1jm6 h ARG 1112Cb 0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1jm6 h ARG 1112CO -0.00 0.46 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.56 1jm6 h ASN 1113N 0.65 0.30 0.90 -3.80 2.35 -1.15 -2.58 115.58 112.24 1jm6 h ASN 1113Ca 0.17 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1jm6 h ASN 1113Cb -0.03 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1jm6 h ASN 1113CO -0.03 0.71 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.33 1jm6 h ARG 1114N 0.23 0.00 -0.41 0.81 2.43 -0.25 -2.82 114.38 114.37 1jm6 h ARG 1114Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1jm6 h ARG 1114Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1jm6 h ARG 1114CO 0.07 0.04 0.00 0.72 -1.51 0.00 0.00 179.97 179.29 1jm6 n HIS 1115N -3.17 0.55 0.25 2.20 8.25 -0.47 -4.52 115.22 118.30 1jm6 n HIS 1115Ca 0.00 -0.46 0.09 0.00 -0.26 0.00 0.00 57.72 57.09 1jm6 n HIS 1115Cb 0.30 -0.02 0.66 0.00 1.12 0.00 0.00 29.99 32.05 1jm6 n HIS 1115CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1jm6 h ASN 1116N 2.59 0.00 -0.53 0.41 2.35 -1.20 -2.72 115.58 116.47 1jm6 h ASN 1116Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jm6 h ASN 1116Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1jm6 h ASN 1116CO 0.00 0.08 0.00 0.47 -1.65 0.00 0.00 177.43 176.33 1jm6 n ASP 1117N -4.20 4.15 -0.34 5.81 9.92 -1.26 -4.68 116.55 125.95 1jm6 n ASP 1117Ca -0.03 -2.38 0.19 0.00 -0.53 0.00 0.00 54.79 52.04 1jm6 n ASP 1117Cb 0.17 -0.49 0.41 0.00 -0.64 0.00 0.00 41.12 40.56 1jm6 n ASP 1117CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1jm6 h VAL 1118N 3.32 0.50 0.37 2.53 2.07 -1.79 -1.63 116.25 121.61 1jm6 h VAL 1118Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1jm6 h VAL 1118Cb 1.24 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1jm6 h VAL 1118CO 0.15 0.10 -0.18 0.58 0.02 0.00 0.00 177.57 178.25 1jm6 h VAL 1119N 0.54 0.50 0.00 2.57 2.07 -1.85 0.38 116.25 120.46 1jm6 h VAL 1119Ca 0.66 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1jm6 h VAL 1119Cb 1.31 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jm6 h VAL 1119CO -0.49 0.10 -0.12 -0.65 0.02 0.00 0.00 177.57 176.43 1jm6 h PRO 1120N -0.92 0.00 -0.16 1.57 0.11 -1.88 0.92 132.00 131.64 1jm6 h PRO 1120Ca -0.05 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 1jm6 h PRO 1120Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1jm6 h PRO 1120CO 0.08 0.12 -0.30 1.15 -0.21 0.00 0.00 178.00 178.85 1jm6 h THR 1121N 0.00 1.35 -0.83 -1.15 2.02 -1.25 -1.08 112.91 111.98 1jm6 h THR 1121Ca -0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1jm6 h THR 1121Cb 0.32 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 1jm6 h THR 1121CO 0.02 0.46 0.52 0.24 0.37 0.00 0.00 175.52 177.13 1jm6 h MET 1122N 0.11 1.11 -0.39 6.66 2.86 0.89 -2.25 114.93 123.93 1jm6 h MET 1122Ca 0.01 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1jm6 h MET 1122Cb 0.88 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1jm6 h MET 1122CO 0.07 0.77 0.24 0.00 1.06 0.00 0.00 176.91 179.04 1jm6 h ALA 1123N 1.28 0.50 0.00 6.32 0.00 -0.76 0.23 119.26 126.82 1jm6 h ALA 1123Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jm6 h ALA 1123Cb -0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jm6 h ALA 1123CO -0.06 -0.10 -0.10 0.37 0.00 0.00 0.00 179.25 179.36 1jm6 h GLN 1124N 0.48 0.00 -0.37 0.00 5.75 -1.01 0.15 115.11 120.11 1jm6 h GLN 1124Ca 0.15 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.51 1jm6 h GLN 1124Cb -0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1jm6 h GLN 1124CO -0.07 0.10 -0.34 0.78 -2.65 0.00 0.00 178.83 176.66 1jm6 h GLY 1125N 0.42 0.92 1.92 2.39 0.00 -0.23 -2.69 103.07 105.79 1jm6 h GLY 1125Ca -0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.31 1jm6 h GLY 1125CO 0.01 0.81 -0.59 -0.39 0.00 0.00 0.00 176.54 176.38 1jm6 h VAL 1126N 0.70 1.41 -0.97 4.60 -1.51 0.60 -2.78 116.25 118.30 1jm6 h VAL 1126Ca 0.07 -1.99 0.21 0.00 -1.23 0.00 0.00 66.70 63.76 1jm6 h VAL 1126Cb 0.91 2.05 -0.09 0.00 -2.13 0.00 0.00 31.29 32.03 1jm6 h VAL 1126CO 0.08 0.58 0.62 0.25 -1.23 0.00 0.00 177.57 177.87 1jm6 h LEU 1127N 0.06 0.56 -6.78 4.19 5.85 -0.44 -3.01 115.31 115.75 1jm6 h LEU 1127Ca -0.01 0.07 -0.60 0.00 0.84 0.00 0.00 57.88 58.19 1jm6 h LEU 1127Cb 1.05 -0.03 0.07 0.00 0.37 0.00 0.00 40.66 42.13 1jm6 h LEU 1127CO 0.08 0.20 1.87 -0.62 -0.34 0.00 0.00 178.44 179.63 1jm6 n GLU 1128N -4.62 1.00 -2.85 1.25 -0.58 -1.05 -5.10 120.64 108.69 1jm6 n GLU 1128Ca 0.22 -1.62 -0.08 0.00 -0.42 0.00 0.00 57.16 55.26 1jm6 n GLU 1128Cb 0.68 -2.87 -0.03 0.00 -0.57 0.00 0.00 31.44 28.66 1jm6 n GLU 1128CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1jm6 n TYR 1129N 8.74 -0.15 -2.68 -0.32 9.36 -1.14 -4.91 117.16 126.06 1jm6 n TYR 1129Ca 0.48 -1.01 -0.01 0.00 3.32 0.00 0.00 57.90 60.69 1jm6 n TYR 1129Cb 0.41 0.06 0.06 0.00 -0.63 0.00 0.00 39.34 39.25 1jm6 n TYR 1129CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1jm6 n GLN 1141N -0.28 1.26 0.05 2.98 6.02 -1.26 -5.19 117.38 120.97 1jm6 n GLN 1141Ca 0.01 -2.41 0.08 0.00 -0.01 0.00 0.00 57.00 54.66 1jm6 n GLN 1141Cb 0.22 -0.61 0.34 0.00 1.02 0.00 0.00 30.24 31.21 1jm6 n GLN 1141CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jm6 n ASN 1142N -0.70 0.22 -0.32 1.08 5.15 -1.26 -2.22 115.26 117.21 1jm6 n ASN 1142Ca -0.04 0.56 0.04 0.00 -0.60 0.00 0.00 54.58 54.55 1jm6 n ASN 1142Cb 0.86 -0.61 0.10 0.00 -0.53 0.00 0.00 39.78 39.61 1jm6 n ASN 1142CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jm6 n ILE 1143N -1.75 -0.38 -0.35 -1.44 5.41 -1.26 -0.69 119.36 118.90 1jm6 n ILE 1143Ca 0.02 1.99 0.11 0.00 1.00 0.00 0.00 62.75 65.87 1jm6 n ILE 1143Cb 0.16 -2.73 0.23 0.00 -0.71 0.00 0.00 39.64 36.58 1jm6 n ILE 1143CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1jm6 n GLN 1144N -5.38 -0.08 0.08 0.38 -0.06 -0.94 -0.55 117.38 110.82 1jm6 n GLN 1144Ca 0.13 1.50 -0.13 0.00 -2.00 0.00 0.00 57.00 56.50 1jm6 n GLN 1144Cb 0.41 -2.32 -0.07 0.00 -4.06 0.00 0.00 30.24 24.20 1jm6 n GLN 1144CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1jm6 h TYR 1145N 0.00 -0.10 0.06 3.69 3.20 -1.18 -1.84 116.97 120.80 1jm6 h TYR 1145Ca 0.54 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.42 1jm6 h TYR 1145Cb 1.01 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1jm6 h TYR 1145CO -0.61 -0.05 -0.09 0.35 -1.64 0.00 0.00 178.16 176.12 1jm6 h PHE 1146N -0.12 -0.22 -0.82 -3.82 3.57 -0.65 -3.08 116.94 111.80 1jm6 h PHE 1146Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1jm6 h PHE 1146Cb 0.09 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1jm6 h PHE 1146CO -0.07 -0.14 0.42 -0.07 -2.23 0.00 0.00 178.31 176.23 1jm6 h LEU 1147N -0.18 1.04 -0.19 0.59 3.38 -1.07 0.38 115.31 119.27 1jm6 h LEU 1147Ca 0.01 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1jm6 h LEU 1147Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1jm6 h LEU 1147CO -0.05 0.85 -0.02 0.44 0.09 0.00 0.00 178.44 179.76 1jm6 h ASP 1148N 1.15 -0.11 -0.36 -0.43 3.32 -1.30 -0.15 116.42 118.54 1jm6 h ASP 1148Ca 0.29 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 1jm6 h ASP 1148Cb 0.07 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1jm6 h ASP 1148CO -0.04 -0.03 -0.07 0.03 -1.72 0.00 0.00 179.24 177.41 1jm6 h ARG 1149N 0.04 0.68 0.09 3.56 3.08 -1.20 -0.20 114.38 120.43 1jm6 h ARG 1149Ca 0.09 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1jm6 h ARG 1149Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1jm6 h ARG 1149CO -0.17 0.83 -0.20 0.35 -1.07 0.00 0.00 179.97 179.72 1jm6 h PHE 1150N 0.48 -0.51 0.00 3.04 3.57 -0.05 -0.21 116.94 123.25 1jm6 h PHE 1150Ca 0.09 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1jm6 h PHE 1150Cb 0.56 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1jm6 h PHE 1150CO 0.05 -0.28 -0.40 1.88 -2.23 0.00 0.00 178.31 177.33 1jm6 h TYR 1151N -0.36 0.00 -0.14 0.41 0.99 -1.01 -1.54 116.97 115.32 1jm6 h TYR 1151Ca 0.03 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.59 1jm6 h TYR 1151Cb 0.39 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.13 1jm6 h TYR 1151CO -0.20 0.40 -0.58 1.25 -0.00 0.00 0.00 178.16 179.03 1jm6 h LEU 1152N 0.00 0.75 -1.12 3.88 6.46 -0.69 -1.90 115.31 122.70 1jm6 h LEU 1152Ca -0.00 -0.62 -0.04 0.00 -0.12 0.00 0.00 57.88 57.09 1jm6 h LEU 1152Cb 0.85 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1jm6 h LEU 1152CO 0.05 1.25 0.14 -1.28 -0.62 0.00 0.00 178.44 177.98 1jm6 h SER 1153N 0.30 0.71 -0.26 1.25 0.87 -0.88 -2.54 113.55 113.00 1jm6 h SER 1153Ca -0.03 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.33 1jm6 h SER 1153Cb 1.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1jm6 h SER 1153CO 0.12 0.69 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.86 1jm6 h ARG 1154N 0.74 0.56 -0.90 2.24 2.43 -1.18 -0.25 114.38 118.03 1jm6 h ARG 1154Ca 0.17 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1jm6 h ARG 1154Cb 0.25 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1jm6 h ARG 1154CO -0.01 0.83 0.58 0.82 -1.51 0.00 0.00 179.97 180.69 1jm6 h ILE 1155N 0.29 1.04 -0.40 1.20 2.04 -1.23 0.15 117.51 120.59 1jm6 h ILE 1155Ca 0.05 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 1jm6 h ILE 1155Cb 0.68 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1jm6 h ILE 1155CO 0.04 0.18 -0.24 0.77 0.00 0.00 0.00 178.15 178.90 1jm6 h SER 1156N 0.98 0.84 1.01 1.72 4.64 -1.18 -0.28 113.55 121.28 1jm6 h SER 1156Ca 0.39 -0.32 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 1jm6 h SER 1156Cb 0.25 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1jm6 h SER 1156CO -0.15 1.05 -0.58 0.40 -0.87 0.00 0.00 176.83 176.68 1jm6 h ILE 1157N 0.71 1.14 0.00 0.95 2.04 -0.57 -2.78 117.51 119.00 1jm6 h ILE 1157Ca 0.09 -2.19 -0.12 0.00 1.00 0.00 0.00 64.86 63.64 1jm6 h ILE 1157Cb 0.77 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1jm6 h ILE 1157CO 0.06 0.56 -0.56 -0.09 0.00 0.00 0.00 178.15 178.13 1jm6 h ARG 1158N 0.00 0.00 0.56 2.37 9.65 -0.76 -2.22 114.38 123.99 1jm6 h ARG 1158Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1jm6 h ARG 1158Cb 1.23 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1jm6 h ARG 1158CO 0.07 0.56 -0.27 1.98 2.80 0.00 0.00 179.97 185.11 1jm6 h MET 1159N 0.00 -0.73 -0.25 0.20 4.05 -0.78 -1.99 114.93 115.43 1jm6 h MET 1159Ca -0.01 0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1jm6 h MET 1159Cb 1.27 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 32.20 1jm6 h MET 1159CO 0.07 -0.43 -0.03 -0.07 0.23 0.00 0.00 176.91 176.68 1jm6 h LEU 1160N -0.92 -0.17 -0.68 3.39 3.38 -1.58 -1.32 115.31 117.39 1jm6 h LEU 1160Ca -0.08 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1jm6 h LEU 1160Cb 0.64 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1jm6 h LEU 1160CO 0.13 -0.05 0.44 0.40 0.09 0.00 0.00 178.44 179.44 1jm6 h ILE 1161N 0.03 1.13 -0.09 1.22 2.04 -1.41 -2.78 117.51 117.65 1jm6 h ILE 1161Ca 0.12 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 1jm6 h ILE 1161Cb 0.17 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1jm6 h ILE 1161CO -0.23 0.16 -0.44 0.78 0.00 0.00 0.00 178.15 178.42 1jm6 h ASN 1162N 0.88 0.23 0.03 1.72 -0.26 -0.99 -1.59 115.58 115.60 1jm6 h ASN 1162Ca 0.26 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1jm6 h ASN 1162Cb -0.04 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1jm6 h ASN 1162CO -0.08 0.64 -0.02 1.56 -1.06 0.00 0.00 177.43 178.48 1jm6 h GLN 1163N 0.18 -0.04 -0.47 0.81 1.08 -0.99 -0.71 115.11 114.97 1jm6 h GLN 1163Ca 0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1jm6 h GLN 1163Cb 0.85 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1jm6 h GLN 1163CO 0.07 0.14 0.10 1.25 -0.95 0.00 0.00 178.83 179.43 1jm6 h HIS 1164N -0.22 0.80 -0.27 2.96 2.76 -1.45 0.31 115.15 120.04 1jm6 h HIS 1164Ca -0.00 -0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 57.96 1jm6 h HIS 1164Cb 0.20 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 1jm6 h HIS 1164CO -0.02 0.74 -0.24 1.79 -1.30 0.00 0.00 177.93 178.90 1jm6 h THR 1165N 0.64 1.31 -0.10 6.26 1.35 -1.23 0.26 112.91 121.39 1jm6 h THR 1165Ca 0.15 -1.40 -0.14 0.00 -0.55 0.00 0.00 66.41 64.47 1jm6 h THR 1165Cb 0.35 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1jm6 h THR 1165CO 0.00 0.44 -0.47 -0.07 -0.25 0.00 0.00 175.52 175.18 1jm6 h LEU 1166N 0.37 0.58 -0.34 3.87 3.38 -1.13 -3.26 115.31 118.79 1jm6 h LEU 1166Ca 0.05 -0.64 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 1jm6 h LEU 1166Cb 0.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1jm6 h LEU 1166CO 0.06 1.13 -0.17 0.40 0.09 0.00 0.00 178.44 179.95 1jm6 h ILE 1167N 0.08 1.29 -3.56 1.22 2.04 -0.97 -3.41 117.51 114.20 1jm6 h ILE 1167Ca -0.03 -1.29 -0.70 0.00 1.00 0.00 0.00 64.86 63.84 1jm6 h ILE 1167Cb 1.11 1.39 -0.35 0.00 -0.74 0.00 0.00 36.82 38.24 1jm6 h ILE 1167CO 0.10 0.42 -0.33 -0.36 0.00 0.00 0.00 178.15 177.98 1jm6 s PHE 1168N -4.60 3.43 0.26 1.37 0.40 0.91 -5.06 117.98 114.68 1jm6 s PHE 1168Ca -0.12 -2.71 0.00 0.00 -0.60 0.00 0.00 56.93 53.49 1jm6 s PHE 1168Cb 0.09 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.40 1jm6 s PHE 1168CO 0.82 -0.84 0.00 -0.40 0.70 0.00 0.00 175.22 175.50 1jm6 n ASP 1169N 3.42 -2.33 0.00 1.36 5.68 -1.26 -4.65 116.55 118.77 1jm6 n ASP 1169Ca 0.09 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 1jm6 n ASP 1169Cb 0.38 2.35 0.00 0.00 -1.14 0.00 0.00 41.12 42.71 1jm6 n ASP 1169CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1jm6 n PRO 1177N -3.10 6.12 0.00 0.11 -0.02 -1.26 -5.11 135.00 131.74 1jm6 n PRO 1177Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1jm6 n PRO 1177Cb 0.00 -0.45 -0.12 0.00 -0.02 0.00 0.00 33.50 32.92 1jm6 n PRO 1177CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1jm6 n LYS 1178N -0.89 0.22 -1.92 -0.52 2.85 -1.26 -5.00 118.16 111.64 1jm6 n LYS 1178Ca 0.00 -0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1jm6 n LYS 1178Cb 0.00 -1.47 0.04 0.00 -0.65 0.00 0.00 35.03 32.95 1jm6 n LYS 1178CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1jm6 s HIS 1179N -2.94 2.47 -0.98 5.58 3.76 -1.26 -4.80 115.29 117.11 1jm6 s HIS 1179Ca 0.08 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.49 1jm6 s HIS 1179Cb 0.16 -3.35 0.24 0.00 1.11 0.00 0.00 32.58 30.74 1jm6 s HIS 1179CO 0.84 -1.97 0.92 0.42 -0.85 0.00 0.00 174.74 174.09 1jm6 s ILE 1180N -1.89 5.00 0.00 0.60 -1.09 0.09 -4.96 121.20 118.94 1jm6 s ILE 1180Ca 0.73 -3.73 0.00 0.00 -2.23 0.00 0.00 60.65 55.42 1jm6 s ILE 1180Cb -0.26 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1jm6 s ILE 1180CO 0.35 -1.13 0.00 0.61 -1.23 0.00 0.00 174.94 173.54 1jm6 n GLY 1181N 2.44 0.32 0.19 6.18 0.00 -1.26 -3.13 105.19 109.92 1jm6 n GLY 1181Ca 0.23 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.66 1jm6 n GLY 1181CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jm6 n SER 1182N 6.67 0.67 -4.67 1.61 3.41 -1.26 -4.84 113.62 115.20 1jm6 n SER 1182Ca 0.00 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.33 1jm6 n SER 1182Cb 0.00 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1jm6 n SER 1182CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jm6 s ILE 1183N -2.30 4.95 -0.28 -1.33 1.01 -1.18 -3.47 121.20 118.60 1jm6 s ILE 1183Ca 0.33 1.47 -0.09 0.00 0.00 0.00 0.00 60.65 62.36 1jm6 s ILE 1183Cb 0.20 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1jm6 s ILE 1183CO 0.43 0.09 0.12 -0.62 0.00 0.00 0.00 174.94 174.97 1jm6 s ASP 1184N 1.11 5.46 0.44 3.58 3.68 0.87 -0.73 116.67 131.08 1jm6 s ASP 1184Ca 0.35 -0.29 0.24 0.00 2.13 0.00 0.00 52.55 54.98 1jm6 s ASP 1184Cb -0.17 -1.99 0.87 0.00 -1.45 0.00 0.00 42.92 40.18 1jm6 s ASP 1184CO 0.13 -0.10 1.80 -0.65 0.13 0.00 0.00 175.17 176.48 1jm6 h PRO 1185N 8.31 0.00 -1.76 4.34 0.11 -1.82 -1.72 132.00 139.45 1jm6 h PRO 1185Ca -0.35 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.18 1jm6 h PRO 1185Cb 1.17 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.86 1jm6 h PRO 1185CO 0.59 0.22 -0.72 0.09 -0.21 0.00 0.00 178.00 177.96 1jm6 n ASN 1186N -3.35 4.47 -4.65 -2.05 3.02 -1.25 -3.83 115.26 107.62 1jm6 n ASN 1186Ca 0.00 -3.67 -0.43 0.00 -0.03 0.00 0.00 54.58 50.46 1jm6 n ASN 1186Cb 0.45 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1jm6 n ASN 1186CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jm6 s SER 1188N 2.74 6.22 0.19 0.00 0.15 -1.26 -0.64 113.70 121.09 1jm6 s SER 1188Ca 0.61 -0.66 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 1jm6 s SER 1188Cb -0.23 -2.47 0.16 0.00 -1.71 0.00 0.00 66.02 61.77 1jm6 s SER 1188CO 0.21 -1.50 1.63 0.58 1.20 0.00 0.00 173.24 175.36 1jm6 h VAL 1189N 6.01 0.39 -0.94 4.45 2.07 -1.92 -0.02 116.25 126.29 1jm6 h VAL 1189Ca -0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1jm6 h VAL 1189Cb 1.06 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1jm6 h VAL 1189CO 1.19 0.00 0.59 0.28 0.02 0.00 0.00 177.57 179.65 1jm6 h SER 1190N -0.07 0.93 -0.05 0.57 0.02 -1.92 -0.81 113.55 112.23 1jm6 h SER 1190Ca 0.24 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1jm6 h SER 1190Cb 0.44 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1jm6 h SER 1190CO -0.56 0.58 0.03 0.44 -1.14 0.00 0.00 176.83 176.19 1jm6 h ASP 1191N 1.06 0.06 -0.94 3.07 5.19 -1.42 0.19 116.42 123.63 1jm6 h ASP 1191Ca 0.42 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1jm6 h ASP 1191Cb 0.21 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1jm6 h ASP 1191CO -0.19 0.05 0.57 0.58 -3.12 0.00 0.00 179.24 177.13 1jm6 h VAL 1192N 0.07 1.26 -0.87 -1.35 2.07 -0.86 -1.57 116.25 114.99 1jm6 h VAL 1192Ca 0.02 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1jm6 h VAL 1192Cb -0.00 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.65 1jm6 h VAL 1192CO -0.00 0.27 0.57 0.58 0.02 0.00 0.00 177.57 179.00 1jm6 h VAL 1193N 1.30 1.17 -0.11 2.57 2.07 -0.44 0.28 116.25 123.09 1jm6 h VAL 1193Ca 0.34 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1jm6 h VAL 1193Cb -0.06 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.66 1jm6 h VAL 1193CO -0.06 0.20 0.00 0.50 0.02 0.00 0.00 177.57 178.23 1jm6 h LYS 1194N 1.12 0.19 -0.83 1.57 1.63 -0.02 -1.16 116.57 119.08 1jm6 h LYS 1194Ca 0.34 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1jm6 h LYS 1194Cb -0.04 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1jm6 h LYS 1194CO -0.10 0.43 0.53 -0.44 -3.45 0.00 0.00 179.45 176.42 1jm6 h ASP 1195N -0.08 0.97 0.47 4.20 3.32 -0.99 -1.54 116.42 122.77 1jm6 h ASP 1195Ca 0.03 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1jm6 h ASP 1195Cb 0.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1jm6 h ASP 1195CO 0.00 0.72 -0.71 0.00 -1.72 0.00 0.00 179.24 177.53 1jm6 h ALA 1196N 1.45 0.72 -0.45 3.45 0.00 -0.85 -2.07 119.26 121.52 1jm6 h ALA 1196Ca 0.30 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1jm6 h ALA 1196Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jm6 h ALA 1196CO -0.06 0.81 -0.23 -0.92 0.00 0.00 0.00 179.25 178.85 1jm6 h TYR 1197N 0.14 1.06 -0.02 0.00 3.20 -0.54 -2.82 116.97 118.00 1jm6 h TYR 1197Ca -0.02 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 1jm6 h TYR 1197Cb 1.27 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1jm6 h TYR 1197CO 0.02 1.06 -0.02 -0.44 -1.64 0.00 0.00 178.16 177.14 1jm6 h ASP 1198N 0.80 0.05 0.00 -2.11 3.32 -1.28 0.39 116.42 117.59 1jm6 h ASP 1198Ca 0.10 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1jm6 h ASP 1198Cb 0.79 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1jm6 h ASP 1198CO 0.07 0.57 0.00 0.23 -1.72 0.00 0.00 179.24 178.38 1jm6 n MET 1199N -4.80 0.00 -0.14 3.56 2.81 -0.78 -0.78 117.12 116.99 1jm6 n MET 1199Ca -0.08 0.25 0.01 0.00 -1.81 0.00 0.00 57.70 56.06 1jm6 n MET 1199Cb 0.28 -1.10 0.03 0.00 -0.71 0.00 0.00 33.22 31.73 1jm6 n MET 1199CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jm6 n ALA 1200N -0.97 0.01 -0.33 3.04 0.00 -1.06 0.21 120.51 121.40 1jm6 n ALA 1200Ca 0.00 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.98 1jm6 n ALA 1200Cb 0.00 -0.20 0.36 0.00 0.00 0.00 0.00 19.45 19.61 1jm6 n ALA 1200CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jm6 h LYS 1201N 0.00 0.68 -0.53 0.00 3.64 0.18 -1.71 116.57 118.83 1jm6 h LYS 1201Ca 0.15 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1jm6 h LYS 1201Cb 0.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1jm6 h LYS 1201CO -0.38 0.45 0.23 1.25 -2.27 0.00 0.00 179.45 178.72 1jm6 h LEU 1202N 0.70 0.72 -0.54 5.20 5.85 0.46 -2.66 115.31 125.03 1jm6 h LEU 1202Ca 0.55 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1jm6 h LEU 1202Cb 0.94 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1jm6 h LEU 1202CO -0.32 0.68 0.20 -0.07 -0.34 0.00 0.00 178.44 178.59 1jm6 h LEU 1203N 0.72 0.76 0.62 2.25 3.38 -1.30 -2.75 115.31 118.99 1jm6 h LEU 1203Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jm6 h LEU 1203Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jm6 h LEU 1203CO -0.02 0.74 -0.33 0.00 0.09 0.00 0.00 178.44 178.92 1jm6 h ASP 1205N -0.87 0.65 0.66 0.00 3.32 -1.53 2.08 116.42 120.74 1jm6 h ASP 1205Ca -0.08 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jm6 h ASP 1205Cb 0.68 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1jm6 h ASP 1205CO 0.12 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 178.13 1jm6 n LYS 1206N -4.72 0.08 -0.04 3.56 5.02 -1.04 -0.09 118.16 120.93 1jm6 n LYS 1206Ca 0.24 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1jm6 n LYS 1206Cb 0.67 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1jm6 n LYS 1206CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1jm6 n TYR 1207N -1.45 0.00 -0.02 2.13 9.36 0.48 -4.80 117.16 122.85 1jm6 n TYR 1207Ca 0.06 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.31 1jm6 n TYR 1207Cb 0.23 -0.33 -0.14 0.00 -0.63 0.00 0.00 39.34 38.47 1jm6 n TYR 1207CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jm6 n TYR 1208N -3.52 0.25 -2.61 2.98 4.01 0.59 -4.97 117.16 113.89 1jm6 n TYR 1208Ca -0.17 0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 1jm6 n TYR 1208Cb 0.57 -0.79 0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1jm6 n TYR 1208CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1jm6 n MET 1209N -2.55 -2.78 -3.64 -0.72 2.81 0.87 -4.97 117.12 106.15 1jm6 n MET 1209Ca -0.14 0.84 -0.10 0.00 -1.81 0.00 0.00 57.70 56.49 1jm6 n MET 1209Cb 0.80 -5.39 -0.07 0.00 -0.71 0.00 0.00 33.22 27.85 1jm6 n MET 1209CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jm6 s ALA 1210N -2.99 -1.96 -0.09 3.04 0.00 -1.26 -4.96 121.76 113.54 1jm6 s ALA 1210Ca 0.12 1.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.67 1jm6 s ALA 1210Cb -0.05 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.73 1jm6 s ALA 1210CO 0.15 -0.24 0.74 -1.54 0.00 0.00 0.00 175.76 174.87 1jm6 s SER 1211N 0.23 -0.61 1.02 0.00 1.04 -1.26 -4.48 113.70 109.64 1jm6 s SER 1211Ca 0.03 0.71 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1jm6 s SER 1211Cb -0.05 0.56 0.15 0.00 0.10 0.00 0.00 66.02 66.77 1jm6 s SER 1211CO -0.06 -0.54 0.76 -2.65 0.98 0.00 0.00 173.24 171.74 1jm6 n PRO 1212N 1.00 -1.05 -2.46 4.02 -0.02 -1.26 -5.02 135.00 130.21 1jm6 n PRO 1212Ca -0.17 -0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 60.81 1jm6 n PRO 1212Cb 0.57 -2.10 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 1jm6 n PRO 1212CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jm6 n ASP 1213N -3.28 1.19 -4.16 2.55 9.92 -1.26 -4.82 116.55 116.69 1jm6 n ASP 1213Ca 0.07 -2.05 -0.24 0.00 -0.53 0.00 0.00 54.79 52.04 1jm6 n ASP 1213Cb 0.54 -0.68 -0.15 0.00 -0.64 0.00 0.00 41.12 40.19 1jm6 n ASP 1213CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1jm6 s LEU 1214N 0.00 2.06 -0.07 0.64 2.96 -1.26 0.12 118.68 123.13 1jm6 s LEU 1214Ca 0.66 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1jm6 s LEU 1214Cb -0.03 -0.83 0.02 0.00 0.50 0.00 0.00 46.19 45.84 1jm6 s LEU 1214CO 0.44 0.18 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.88 1jm6 s GLU 1215N -0.53 1.29 -0.03 1.98 2.12 0.00 -4.91 118.70 118.63 1jm6 s GLU 1215Ca 0.06 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.24 1jm6 s GLU 1215Cb -0.07 -1.24 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 1jm6 s GLU 1215CO -0.00 -0.12 -0.26 0.42 -0.54 0.00 0.00 175.26 174.76 1jm6 s ILE 1216N 1.15 2.05 0.03 -3.70 1.01 -1.26 0.11 121.20 120.58 1jm6 s ILE 1216Ca -0.06 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.51 1jm6 s ILE 1216Cb -0.14 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1jm6 s ILE 1216CO -0.01 0.58 -0.08 -1.58 0.00 0.00 0.00 174.94 173.85 1jm6 s GLN 1217N -0.52 0.52 0.00 2.79 0.74 0.17 -4.94 119.66 118.43 1jm6 s GLN 1217Ca 0.07 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.85 1jm6 s GLN 1217Cb -0.11 -0.34 -0.01 0.00 1.10 0.00 0.00 33.01 33.66 1jm6 s GLN 1217CO -0.00 0.07 -0.04 -1.21 -0.55 0.00 0.00 175.29 173.56 1jm6 s GLU 1218N -1.27 0.34 -0.49 1.67 2.02 -1.26 0.19 118.70 119.90 1jm6 s GLU 1218Ca -0.07 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1jm6 s GLU 1218Cb -0.08 -0.29 0.15 0.00 0.10 0.00 0.00 34.13 34.00 1jm6 s GLU 1218CO 0.00 0.08 0.32 0.08 0.02 0.00 0.00 175.26 175.76 1jm6 s VAL 1219N -0.24 1.41 -0.72 2.63 1.01 0.73 -4.92 120.40 120.29 1jm6 s VAL 1219Ca 0.00 -2.92 -0.26 0.00 0.00 0.00 0.00 61.98 58.80 1jm6 s VAL 1219Cb -0.02 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1jm6 s VAL 1219CO -0.00 -1.01 1.71 0.21 0.00 0.00 0.00 175.10 176.01 1jm6 s ASN 1220N -0.09 5.55 0.14 3.32 3.84 -1.26 -2.24 114.94 124.20 1jm6 s ASN 1220Ca 0.23 -0.14 -0.10 0.00 0.21 0.00 0.00 52.86 53.06 1jm6 s ASN 1220Cb -0.13 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 37.97 1jm6 s ASN 1220CO -0.08 -2.25 1.42 0.00 -2.79 0.00 0.00 177.10 173.40 1jm6 h ALA 1221N 12.84 0.50 -0.04 1.71 0.00 -1.45 -3.07 119.26 129.74 1jm6 h ALA 1221Ca -0.17 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1jm6 h ALA 1221Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1jm6 h ALA 1221CO 1.25 0.68 -0.21 1.15 0.00 0.00 0.00 179.25 182.12 1jm6 h THR 1222N 0.63 1.18 -2.23 0.00 2.02 -1.86 -3.41 112.91 109.24 1jm6 h THR 1222Ca 0.01 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1jm6 h THR 1222Cb 1.16 1.39 -0.22 0.00 -1.74 0.00 0.00 68.15 68.74 1jm6 h THR 1222CO 0.12 0.24 0.01 0.21 0.37 0.00 0.00 175.52 176.47 1jm6 s ASN 1223N -6.95 -0.67 0.21 4.18 3.84 -1.24 -5.12 114.94 109.20 1jm6 s ASN 1223Ca -0.04 1.26 0.23 0.00 0.21 0.00 0.00 52.86 54.52 1jm6 s ASN 1223Cb 0.15 1.27 0.10 0.00 -0.55 0.00 0.00 41.25 42.22 1jm6 s ASN 1223CO 0.72 -0.22 1.16 0.00 -2.79 0.00 0.00 177.10 175.97 1jm6 h ALA 1224N 5.34 0.57 0.00 1.71 0.00 -1.78 -3.39 119.26 121.71 1jm6 h ALA 1224Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jm6 h ALA 1224Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jm6 h ALA 1224CO 0.12 0.00 -0.08 -2.37 0.00 0.00 0.00 179.25 176.92 1jm6 n THR 1225N -2.61 0.95 -3.99 0.00 5.66 -1.26 -4.57 114.28 108.46 1jm6 n THR 1225Ca 0.01 -1.06 -0.34 0.00 -3.05 0.00 0.00 64.05 59.60 1jm6 n THR 1225Cb 0.53 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 1jm6 n THR 1225CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1jm6 s GLN 1226N -1.26 3.30 0.13 1.09 0.74 -1.26 -5.05 119.66 117.35 1jm6 s GLN 1226Ca 0.10 -0.32 -0.31 0.00 0.05 0.00 0.00 55.36 54.88 1jm6 s GLN 1226Cb 0.09 -3.04 -0.11 0.00 1.10 0.00 0.00 33.01 31.05 1jm6 s GLN 1226CO 0.01 0.70 1.82 -2.30 -0.55 0.00 0.00 175.29 174.97 1jm6 n PRO 1227N 1.39 2.76 -2.01 1.67 -0.02 -1.26 -4.74 135.00 132.79 1jm6 n PRO 1227Ca -0.15 1.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1jm6 n PRO 1227Cb 0.53 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.10 1jm6 n PRO 1227CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jm6 s ILE 1228N 2.53 3.48 0.26 4.25 1.01 -1.26 -4.97 121.20 126.50 1jm6 s ILE 1228Ca 0.81 0.69 0.11 0.00 0.00 0.00 0.00 60.65 62.27 1jm6 s ILE 1228Cb -0.50 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1jm6 s ILE 1228CO 0.37 -0.04 -0.19 -1.00 0.00 0.00 0.00 174.94 174.08 1jm6 s HIS 1229N 3.61 2.17 0.20 3.97 3.76 -1.26 -3.14 115.29 124.61 1jm6 s HIS 1229Ca 0.73 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 55.12 1jm6 s HIS 1229Cb -0.34 -0.95 0.01 0.00 1.11 0.00 0.00 32.58 32.40 1jm6 s HIS 1229CO 0.30 0.64 0.44 0.00 -0.85 0.00 0.00 174.74 175.27 1jm6 s MET 1230N -3.51 1.37 -0.46 1.40 0.23 0.19 -4.90 119.30 113.62 1jm6 s MET 1230Ca 0.28 -1.07 -0.22 0.00 -1.03 0.00 0.00 55.69 53.65 1jm6 s MET 1230Cb -0.04 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1jm6 s MET 1230CO 0.13 -0.56 0.72 0.08 -2.03 0.00 0.00 175.02 173.37 1jm6 s VAL 1231N -3.94 4.72 0.34 5.16 1.01 -1.25 0.26 120.40 126.69 1jm6 s VAL 1231Ca 0.15 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1jm6 s VAL 1231Cb 0.00 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1jm6 s VAL 1231CO 0.02 -0.71 0.73 -0.47 0.00 0.00 0.00 175.10 174.66 1jm6 s TYR 1232N 3.08 0.07 -0.67 5.22 5.04 -0.65 -4.88 117.35 124.56 1jm6 s TYR 1232Ca 0.25 -0.62 -0.19 0.00 -2.44 0.00 0.00 57.07 54.07 1jm6 s TYR 1232Cb -0.14 0.70 0.11 0.00 0.35 0.00 0.00 41.96 42.98 1jm6 s TYR 1232CO 0.20 -1.39 0.83 0.08 -1.34 0.00 0.00 175.55 173.92 1jm6 s VAL 1233N -3.06 4.73 0.37 3.14 1.01 -1.26 -0.09 120.40 125.25 1jm6 s VAL 1233Ca 0.15 -1.01 0.15 0.00 0.00 0.00 0.00 61.98 61.27 1jm6 s VAL 1233Cb -0.05 -4.58 0.36 0.00 0.00 0.00 0.00 36.38 32.11 1jm6 s VAL 1233CO 0.10 -1.26 1.79 -0.65 0.00 0.00 0.00 175.10 175.09 1jm6 h PRO 1234N 9.15 0.49 -0.23 2.72 0.11 -1.92 0.19 132.00 142.51 1jm6 h PRO 1234Ca -0.21 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1jm6 h PRO 1234Cb 1.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1jm6 h PRO 1234CO 1.10 0.32 -0.40 0.66 -0.21 0.00 0.00 178.00 179.48 1jm6 h SER 1235N 0.50 0.56 -0.03 -2.05 4.64 -1.93 0.61 113.55 115.87 1jm6 h SER 1235Ca 0.56 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1jm6 h SER 1235Cb 1.25 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1jm6 h SER 1235CO -0.30 0.90 0.01 0.45 -0.87 0.00 0.00 176.83 177.02 1jm6 h HIS 1236N 0.44 0.04 -0.60 4.77 3.86 -1.35 -0.03 115.15 122.28 1jm6 h HIS 1236Ca 0.04 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1jm6 h HIS 1236Cb 0.89 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1jm6 h HIS 1236CO 0.03 0.20 0.26 1.25 0.86 0.00 0.00 177.93 180.53 1jm6 h LEU 1237N -0.13 0.81 -0.36 2.43 5.85 -1.40 -2.57 115.31 119.94 1jm6 h LEU 1237Ca 0.01 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1jm6 h LEU 1237Cb 0.18 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1jm6 h LEU 1237CO -0.00 0.75 -0.01 0.22 -0.34 0.00 0.00 178.44 179.06 1jm6 h TYR 1238N 0.83 -0.04 -0.54 1.25 3.20 -0.69 -1.82 116.97 119.16 1jm6 h TYR 1238Ca 0.20 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1jm6 h TYR 1238Cb 0.17 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1jm6 h TYR 1238CO 0.01 -0.08 0.05 1.25 -1.64 0.00 0.00 178.16 177.75 1jm6 h HIS 1239N 0.09 1.00 0.24 -3.82 2.76 -0.80 0.45 115.15 115.07 1jm6 h HIS 1239Ca 0.17 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1jm6 h HIS 1239Cb 0.24 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.94 1jm6 h HIS 1239CO -0.26 0.90 -0.12 0.52 -1.30 0.00 0.00 177.93 177.68 1jm6 h MET 1240N 0.81 -0.31 0.00 5.26 2.86 -1.34 -1.23 114.93 120.99 1jm6 h MET 1240Ca 0.16 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1jm6 h MET 1240Cb 0.47 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1jm6 h MET 1240CO 0.02 -0.16 -0.22 -0.07 1.06 0.00 0.00 176.91 177.53 1jm6 h LEU 1241N -0.39 0.00 -0.12 1.22 3.38 -1.15 -1.99 115.31 116.26 1jm6 h LEU 1241Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jm6 h LEU 1241Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jm6 h LEU 1241CO 0.05 0.22 -0.06 0.15 0.09 0.00 0.00 178.44 178.90 1jm6 h PHE 1242N 0.00 0.29 -0.25 1.13 3.57 0.17 -1.24 116.94 120.60 1jm6 h PHE 1242Ca -0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1jm6 h PHE 1242Cb 0.43 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1jm6 h PHE 1242CO 0.00 0.59 0.16 0.93 -2.23 0.00 0.00 178.31 177.76 1jm6 h GLU 1243N -0.09 0.34 -0.34 1.11 4.39 -1.08 -2.85 114.58 116.05 1jm6 h GLU 1243Ca 0.03 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1jm6 h GLU 1243Cb 0.51 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1jm6 h GLU 1243CO 0.02 0.25 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.96 1jm6 h LEU 1244N 0.32 0.67 -0.68 1.33 3.38 -1.40 -3.11 115.31 115.81 1jm6 h LEU 1244Ca 0.09 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1jm6 h LEU 1244Cb -0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1jm6 h LEU 1244CO -0.02 0.88 0.37 -0.26 0.09 0.00 0.00 178.44 179.50 1jm6 h PHE 1245N 0.46 0.67 -0.55 1.13 -1.00 -1.19 -1.21 116.94 115.25 1jm6 h PHE 1245Ca 0.09 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.94 1jm6 h PHE 1245Cb 0.59 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.91 1jm6 h PHE 1245CO 0.05 0.30 0.30 0.87 -1.61 0.00 0.00 178.31 178.21 1jm6 h LYS 1246N 0.66 0.56 0.16 1.51 1.57 -1.47 0.65 116.57 120.20 1jm6 h LYS 1246Ca 0.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1jm6 h LYS 1246Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1jm6 h LYS 1246CO -0.21 0.37 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.05 1jm6 h ASN 1247N 0.57 -0.19 -0.48 0.86 2.35 -1.41 -0.11 115.58 117.17 1jm6 h ASN 1247Ca 0.24 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1jm6 h ASN 1247Cb 0.11 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1jm6 h ASN 1247CO -0.15 -0.12 0.07 0.00 -1.65 0.00 0.00 177.43 175.59 1jm6 h ALA 1248N 0.60 1.12 -0.01 -0.83 0.00 -0.83 0.27 119.26 119.59 1jm6 h ALA 1248Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1jm6 h ALA 1248Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jm6 h ALA 1248CO 0.04 0.58 -0.65 0.52 0.00 0.00 0.00 179.25 179.74 1jm6 h MET 1249N 0.81 0.02 0.33 0.00 2.86 -0.78 -1.49 114.93 116.69 1jm6 h MET 1249Ca 0.17 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1jm6 h MET 1249Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1jm6 h MET 1249CO 0.01 0.66 -0.16 -0.09 1.06 0.00 0.00 176.91 178.39 1jm6 h ARG 1250N 0.02 -0.42 -0.92 1.72 2.43 -0.66 -1.75 114.38 114.79 1jm6 h ARG 1250Ca -0.01 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.38 1jm6 h ARG 1250Cb 1.15 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 1jm6 h ARG 1250CO 0.09 -0.10 0.49 0.00 -1.51 0.00 0.00 179.97 178.94 1jm6 h ALA 1251N -0.45 1.49 -0.11 2.80 0.00 -0.45 0.16 119.26 122.70 1jm6 h ALA 1251Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jm6 h ALA 1251Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jm6 h ALA 1251CO 0.07 -0.16 -0.00 1.15 0.00 0.00 0.00 179.25 180.31 1jm6 h THR 1252N 0.60 1.25 -0.09 0.00 2.02 -1.30 -1.72 112.91 113.68 1jm6 h THR 1252Ca 0.54 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1jm6 h THR 1252Cb 0.89 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1jm6 h THR 1252CO -0.42 0.23 -0.05 0.58 0.37 0.00 0.00 175.52 176.24 1jm6 h VAL 1253N -0.09 0.85 0.00 3.16 2.07 -0.54 -2.49 116.25 119.22 1jm6 h VAL 1253Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1jm6 h VAL 1253Cb 0.36 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1jm6 h VAL 1253CO 0.01 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.26 1jm6 h GLU 1254N -0.04 0.00 0.00 1.57 5.08 -0.66 -2.70 114.58 117.83 1jm6 h GLU 1254Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1jm6 h GLU 1254Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jm6 h GLU 1254CO -0.12 0.01 -1.41 -1.13 -1.00 0.00 0.00 179.01 175.36 1jm6 n SER 1255N -3.35 0.45 -4.73 1.42 3.41 -0.65 -4.98 113.62 105.19 1jm6 n SER 1255Ca -0.03 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 1jm6 n SER 1255Cb 0.10 1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 1jm6 n SER 1255CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jm6 s HIS 1256N -3.36 2.58 0.00 7.33 3.76 -1.02 -5.00 115.29 119.57 1jm6 s HIS 1256Ca -0.02 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 1jm6 s HIS 1256Cb 0.13 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1jm6 s HIS 1256CO 0.85 0.19 0.00 -0.85 -0.85 0.00 0.00 174.74 174.08 1jm6 n GLU 1257N -1.23 3.90 -4.60 1.40 0.28 -1.26 -4.94 120.64 114.19 1jm6 n GLU 1257Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 1jm6 n GLU 1257Cb 0.65 -0.70 -0.12 0.00 1.43 0.00 0.00 31.44 32.70 1jm6 n GLU 1257CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jm6 s SER 1258N -1.39 4.61 0.12 -1.84 0.15 -1.26 -5.03 113.70 109.07 1jm6 s SER 1258Ca 0.00 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 56.81 1jm6 s SER 1258Cb 0.00 -1.32 -0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1jm6 s SER 1258CO 0.00 0.31 0.98 -1.54 1.20 0.00 0.00 173.24 174.19 1jm6 n SER 1259N 2.59 0.65 -1.01 5.45 3.41 -1.26 -4.00 113.62 119.45 1jm6 n SER 1259Ca -0.18 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1jm6 n SER 1259Cb 0.53 0.73 0.26 0.00 -0.26 0.00 0.00 64.21 65.47 1jm6 n SER 1259CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jm6 n LEU 1260N -2.39 2.95 -0.76 1.04 4.77 -1.26 -4.26 117.00 117.09 1jm6 n LEU 1260Ca 0.00 -1.40 0.02 0.00 -0.03 0.00 0.00 56.01 54.60 1jm6 n LEU 1260Cb 0.52 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1jm6 n LEU 1260CO 0.41 0.70 0.21 0.35 -1.33 0.00 0.00 177.39 177.73 1jm6 n THR 1261N 1.13 0.11 -2.11 -5.08 -2.24 -1.26 -5.09 114.28 99.75 1jm6 n THR 1261Ca 0.19 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1jm6 n THR 1261Cb 0.49 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1jm6 n THR 1261CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jm6 s LEU 1262N -0.17 4.30 0.02 3.22 1.02 -1.26 -4.97 118.68 120.85 1jm6 s LEU 1262Ca 0.11 2.16 -0.34 0.00 0.02 0.00 0.00 54.13 56.08 1jm6 s LEU 1262Cb 0.13 -3.54 -0.13 0.00 0.02 0.00 0.00 46.19 42.67 1jm6 s LEU 1262CO -0.05 -0.85 1.75 -2.65 0.02 0.00 0.00 176.35 174.57 1jm6 n PRO 1263N 6.47 2.18 -0.99 1.29 -0.02 -1.26 -4.52 135.00 138.15 1jm6 n PRO 1263Ca 0.16 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 62.12 1jm6 n PRO 1263Cb 0.43 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.43 1jm6 n PRO 1263CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1jm6 s PRO 1264N 2.69 1.62 -0.09 0.52 0.02 -1.26 -4.44 135.00 134.05 1jm6 s PRO 1264Ca 0.87 1.40 -0.22 0.00 0.02 0.00 0.00 61.00 63.07 1jm6 s PRO 1264Cb -0.68 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1jm6 s PRO 1264CO 0.45 -2.16 0.63 0.42 -0.33 0.00 0.00 177.00 176.02 1jm6 s ILE 1265N -2.71 5.09 -0.14 2.83 -1.09 0.33 -4.68 121.20 120.82 1jm6 s ILE 1265Ca 0.65 1.28 -0.05 0.00 -2.23 0.00 0.00 60.65 60.30 1jm6 s ILE 1265Cb -0.21 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1jm6 s ILE 1265CO 0.56 0.26 0.02 -0.54 -1.23 0.00 0.00 174.94 174.01 1jm6 s LYS 1266N 0.83 3.58 -0.10 2.79 1.02 -0.59 -0.82 119.74 126.46 1jm6 s LYS 1266Ca 0.33 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.93 1jm6 s LYS 1266Cb -0.17 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1jm6 s LYS 1266CO 0.15 0.41 -0.13 0.42 -0.92 0.00 0.00 175.35 175.28 1jm6 s ILE 1267N -0.05 3.13 -0.16 2.17 -1.09 0.29 0.14 121.20 125.64 1jm6 s ILE 1267Ca 0.04 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1jm6 s ILE 1267Cb -0.13 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 1jm6 s ILE 1267CO 0.02 0.55 -0.18 -0.32 -1.23 0.00 0.00 174.94 173.78 1jm6 s MET 1268N -0.11 3.12 -0.24 2.79 -2.45 -0.16 0.46 119.30 122.70 1jm6 s MET 1268Ca -0.01 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 1jm6 s MET 1268Cb -0.14 -2.57 0.00 0.00 1.25 0.00 0.00 34.83 33.38 1jm6 s MET 1268CO 0.03 -0.04 -0.02 0.08 1.05 0.00 0.00 175.02 176.13 1jm6 s VAL 1269N 0.92 3.41 -0.11 10.11 1.01 0.50 -0.82 120.40 135.41 1jm6 s VAL 1269Ca -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1jm6 s VAL 1269Cb -0.15 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1jm6 s VAL 1269CO -0.03 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.17 1jm6 s ALA 1270N 1.45 2.34 -0.19 5.51 0.00 0.77 -0.19 121.76 131.46 1jm6 s ALA 1270Ca 0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1jm6 s ALA 1270Cb -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1jm6 s ALA 1270CO -0.02 0.25 -0.15 -1.17 0.00 0.00 0.00 175.76 174.67 1jm6 s LEU 1271N 0.38 2.39 0.00 0.00 2.96 -0.95 -1.30 118.68 122.16 1jm6 s LEU 1271Ca -0.15 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 1jm6 s LEU 1271Cb -0.17 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 1jm6 s LEU 1271CO 0.07 0.00 0.02 0.61 -1.32 0.00 0.00 176.35 175.73 1jm6 n GLY 1272N 4.62 3.71 0.30 7.98 0.00 -0.04 -1.04 105.19 120.72 1jm6 n GLY 1272Ca -0.20 -2.29 0.15 0.00 0.00 0.00 0.00 46.02 43.69 1jm6 n GLY 1272CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jm6 h GLU 1273N 0.00 0.00 0.00 1.61 5.08 -1.99 -3.34 114.58 115.94 1jm6 h GLU 1273Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1jm6 h GLU 1273Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1jm6 h GLU 1273CO 0.48 0.02 -0.66 -1.91 -1.00 0.00 0.00 179.01 175.95 1jm6 n GLU 1274N -3.73 0.69 -4.46 2.33 2.13 -1.26 -4.80 120.64 111.54 1jm6 n GLU 1274Ca -0.03 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.48 1jm6 n GLU 1274Cb 0.11 -0.83 -0.11 0.00 0.27 0.00 0.00 31.44 30.88 1jm6 n GLU 1274CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jm6 s ASP 1275N -3.30 4.38 -0.25 4.31 1.01 -1.25 -2.16 116.67 119.40 1jm6 s ASP 1275Ca 0.00 -0.26 -0.01 0.00 0.71 0.00 0.00 52.55 52.98 1jm6 s ASP 1275Cb 0.00 -0.92 0.03 0.00 1.01 0.00 0.00 42.92 43.04 1jm6 s ASP 1275CO 0.00 0.25 -0.06 -0.22 0.21 0.00 0.00 175.17 175.35 1jm6 s LEU 1276N -1.59 3.23 -0.17 1.23 2.96 -0.72 -0.86 118.68 122.77 1jm6 s LEU 1276Ca 0.17 -0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1jm6 s LEU 1276Cb -0.11 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1jm6 s LEU 1276CO 0.08 -0.14 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.42 1jm6 s SER 1277N 1.31 3.93 -0.17 3.68 0.01 -0.42 -0.08 113.70 121.97 1jm6 s SER 1277Ca -0.00 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1jm6 s SER 1277Cb -0.17 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.46 1jm6 s SER 1277CO -0.04 0.08 -0.19 -0.63 0.41 0.00 0.00 173.24 172.86 1jm6 s ILE 1278N 0.87 1.98 -0.13 1.44 1.01 -0.84 -0.16 121.20 125.36 1jm6 s ILE 1278Ca -0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1jm6 s ILE 1278Cb -0.15 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1jm6 s ILE 1278CO -0.00 0.53 -0.12 -0.75 0.00 0.00 0.00 174.94 174.59 1jm6 s LYS 1279N 1.31 3.41 -0.37 2.79 2.20 0.00 -1.55 119.74 127.53 1jm6 s LYS 1279Ca 0.05 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1jm6 s LYS 1279Cb -0.13 -2.65 0.07 0.00 -1.51 0.00 0.00 37.83 33.61 1jm6 s LYS 1279CO -0.12 0.22 0.14 1.41 -0.36 0.00 0.00 175.35 176.64 1jm6 s MET 1280N 0.35 2.41 -0.20 4.03 -2.45 0.72 -0.99 119.30 123.16 1jm6 s MET 1280Ca -0.11 -1.44 -0.09 0.00 -1.25 0.00 0.00 55.69 52.80 1jm6 s MET 1280Cb -0.16 -3.51 -0.05 0.00 1.25 0.00 0.00 34.83 32.37 1jm6 s MET 1280CO 0.06 -0.83 0.11 -1.12 1.05 0.00 0.00 175.02 174.28 1jm6 s SER 1281N 1.66 6.03 0.17 1.11 0.01 0.12 -1.61 113.70 121.19 1jm6 s SER 1281Ca 0.01 0.17 0.07 0.00 1.31 0.00 0.00 55.95 57.52 1jm6 s SER 1281Cb -0.21 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1jm6 s SER 1281CO -0.00 0.16 -0.15 1.51 0.41 0.00 0.00 173.24 175.18 1jm6 s ASP 1282N 0.45 2.38 -0.70 2.44 -4.77 -0.64 -1.55 116.67 114.29 1jm6 s ASP 1282Ca 0.07 -0.95 0.00 0.00 -3.30 0.00 0.00 52.55 48.37 1jm6 s ASP 1282Cb -0.12 -0.11 0.39 0.00 -1.09 0.00 0.00 42.92 41.99 1jm6 s ASP 1282CO -0.01 -0.16 1.78 0.54 0.70 0.00 0.00 175.17 178.03 1jm6 n ARG 1283N -0.04 2.94 -0.35 2.11 1.74 -1.26 -1.83 116.66 119.97 1jm6 n ARG 1283Ca -0.11 -3.74 0.03 0.00 -0.77 0.00 0.00 57.85 53.27 1jm6 n ARG 1283Cb 0.59 -2.27 0.17 0.00 -1.02 0.00 0.00 32.46 29.93 1jm6 n ARG 1283CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jm6 n GLY 1284N -0.60 1.91 2.44 -0.13 0.00 -1.25 -4.74 105.19 102.83 1jm6 n GLY 1284Ca 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jm6 n GLY 1284CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jm6 n GLY 1285N 0.35 1.94 2.79 -0.02 0.00 -0.80 -4.43 105.19 105.02 1jm6 n GLY 1285Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1jm6 n GLY 1285CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jm6 n GLY 1286N -2.00 -1.12 2.94 -0.02 0.00 -1.26 -1.88 105.19 101.86 1jm6 n GLY 1286Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1jm6 n GLY 1286CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jm6 s VAL 1287N -1.31 0.37 0.61 1.61 1.01 -1.26 -4.63 120.40 116.80 1jm6 s VAL 1287Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1jm6 s VAL 1287Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1jm6 s VAL 1287CO 0.00 0.12 0.86 -2.65 0.00 0.00 0.00 175.10 173.42 1jm6 n PRO 1288N 3.10 0.77 0.28 2.72 -0.02 -1.26 -4.05 135.00 136.54 1jm6 n PRO 1288Ca -0.14 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1jm6 n PRO 1288Cb 0.57 -2.06 0.87 0.00 -0.02 0.00 0.00 33.50 32.86 1jm6 n PRO 1288CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jm6 h LEU 1289N 0.35 0.00 -1.73 2.45 5.85 -2.01 -1.64 115.31 118.59 1jm6 h LEU 1289Ca -0.48 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1jm6 h LEU 1289Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1jm6 h LEU 1289CO 0.49 0.00 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.35 1jm6 h ARG 1290N 0.00 0.00 -0.02 1.25 2.43 -2.03 -3.14 114.38 112.86 1jm6 h ARG 1290Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jm6 h ARG 1290Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1jm6 h ARG 1290CO -0.00 0.16 -0.11 1.63 -1.51 0.00 0.00 179.97 180.13 1jm6 n LYS 1291N -3.65 1.85 -0.19 0.20 5.02 -0.62 -4.63 118.16 116.13 1jm6 n LYS 1291Ca -0.02 -1.57 -0.08 0.00 -2.02 0.00 0.00 58.31 54.62 1jm6 n LYS 1291Cb 0.28 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1jm6 n LYS 1291CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1jm6 h ILE 1292N 3.73 1.24 -0.47 -0.18 1.08 -1.61 -2.70 117.51 118.61 1jm6 h ILE 1292Ca 0.00 -0.80 0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1jm6 h ILE 1292Cb 0.85 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 1jm6 h ILE 1292CO 0.00 0.30 0.25 -0.33 -0.69 0.00 0.00 178.15 177.68 1jm6 h GLU 1293N 0.77 0.48 -0.78 2.37 5.08 -1.83 -2.83 114.58 117.85 1jm6 h GLU 1293Ca 0.18 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.69 1jm6 h GLU 1293Cb 0.28 -0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.29 1jm6 h GLU 1293CO -0.01 0.32 0.04 0.00 -1.00 0.00 0.00 179.01 178.36 1jm6 h ARG 1294N 0.50 0.11 -1.15 2.33 3.08 -1.78 -2.25 114.38 115.22 1jm6 h ARG 1294Ca 0.20 -0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.57 1jm6 h ARG 1294Cb 0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1jm6 h ARG 1294CO -0.12 0.08 0.82 -0.07 -1.07 0.00 0.00 179.97 179.60 1jm6 h LEU 1295N 0.12 0.07 -2.59 3.04 3.38 -1.41 0.88 115.31 118.80 1jm6 h LEU 1295Ca 0.43 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1jm6 h LEU 1295Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jm6 h LEU 1295CO -0.67 0.01 0.00 0.49 0.09 0.00 0.00 178.44 178.36 1jm6 n PHE 1296N -4.25 1.26 -3.03 1.13 3.72 -0.84 -4.67 117.46 110.77 1jm6 n PHE 1296Ca 0.25 -0.48 -0.40 0.00 -0.05 0.00 0.00 57.45 56.78 1jm6 n PHE 1296Cb 1.18 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 39.41 1jm6 n PHE 1296CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jm6 s SER 1297N -0.72 7.13 0.56 4.37 0.15 0.31 -4.50 113.70 121.00 1jm6 s SER 1297Ca 0.39 1.35 0.34 0.00 0.70 0.00 0.00 55.95 58.74 1jm6 s SER 1297Cb 0.27 -2.44 1.48 0.00 -1.71 0.00 0.00 66.02 63.62 1jm6 s SER 1297CO 0.16 0.00 2.03 1.88 1.20 0.00 0.00 173.24 178.51 1jm6 h TYR 1298N 5.87 0.00 -0.01 3.44 -1.99 -1.87 -1.55 116.97 120.86 1jm6 h TYR 1298Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1jm6 h TYR 1298Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1jm6 h TYR 1298CO 0.65 0.02 -0.09 -1.33 -0.00 0.00 0.00 178.16 177.40 1jm6 n MET 1299N -3.12 1.29 -5.12 4.88 2.81 -1.26 -4.66 117.12 111.94 1jm6 n MET 1299Ca 0.00 -0.71 -0.32 0.00 -1.81 0.00 0.00 57.70 54.86 1jm6 n MET 1299Cb 0.28 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.16 1jm6 n MET 1299CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1jm6 s TYR 1300N -2.20 2.52 -0.29 2.03 5.04 -0.59 -5.08 117.35 118.79 1jm6 s TYR 1300Ca 0.33 -0.46 -0.18 0.00 -2.44 0.00 0.00 57.07 54.32 1jm6 s TYR 1300Cb 0.20 -1.60 0.13 0.00 0.35 0.00 0.00 41.96 41.04 1jm6 s TYR 1300CO 0.41 -0.04 0.93 0.45 -1.34 0.00 0.00 175.55 175.96 1jm6 s SER 1301N -0.42 -0.58 0.00 4.32 0.15 -1.26 -4.43 113.70 111.48 1jm6 s SER 1301Ca 0.04 0.97 0.28 0.00 0.70 0.00 0.00 55.95 57.94 1jm6 s SER 1301Cb -0.12 1.17 1.09 0.00 -1.71 0.00 0.00 66.02 66.46 1jm6 s SER 1301CO 0.02 -0.16 1.77 1.07 1.20 0.00 0.00 173.24 177.14 1jm6 n THR 1302N 3.44 0.00 -4.30 6.45 5.66 -1.26 -4.83 114.28 119.44 1jm6 n THR 1302Ca -0.17 -0.17 -0.24 0.00 -3.05 0.00 0.00 64.05 60.41 1jm6 n THR 1302Cb 0.57 0.30 -0.08 0.00 -1.55 0.00 0.00 70.33 69.58 1jm6 n THR 1302CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jm6 s ALA 1303N -2.17 3.08 0.75 1.79 0.00 -1.26 -5.06 121.76 118.89 1jm6 s ALA 1303Ca 0.35 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 1jm6 s ALA 1303Cb 0.21 -0.75 -0.14 0.00 0.00 0.00 0.00 23.12 22.44 1jm6 s ALA 1303CO 0.40 0.33 -0.41 -2.30 0.00 0.00 0.00 175.76 173.78 1jm6 n PRO 1304N -0.58 0.01 -0.37 0.00 -0.02 -1.26 -4.40 135.00 128.38 1jm6 n PRO 1304Ca -0.08 0.01 0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1jm6 n PRO 1304Cb 0.58 -1.05 0.59 0.00 -0.02 0.00 0.00 33.50 33.59 1jm6 n PRO 1304CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jm6 h THR 1305N -0.51 0.37 0.00 3.45 2.02 -1.92 -3.30 112.91 113.01 1jm6 h THR 1305Ca -0.43 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1jm6 h THR 1305Cb 1.37 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1jm6 h THR 1305CO 0.33 0.04 0.00 -2.65 0.37 0.00 0.00 175.52 173.61 1jm6 n PRO 1306N -4.59 3.77 0.00 6.66 -0.02 -1.26 -4.38 135.00 135.17 1jm6 n PRO 1306Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1jm6 n PRO 1306Cb 1.12 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.60 1jm6 n PRO 1306CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jm6 n PRO 1314N 0.00 0.00 0.00 0.52 -0.02 -1.26 -2.03 135.00 132.21 1jm6 n PRO 1314Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jm6 n PRO 1314Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1jm6 n PRO 1314CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1jm6 n LEU 1315N 0.00 0.00 -3.94 2.45 -0.00 -1.26 -4.69 117.00 109.56 1jm6 n LEU 1315Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1jm6 n LEU 1315Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1jm6 n LEU 1315CO 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 177.39 177.68 1jm6 s ALA 1316N -1.00 -0.63 0.00 1.96 0.00 -1.26 -4.87 121.76 115.95 1jm6 s ALA 1316Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1jm6 s ALA 1316Cb 0.00 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1jm6 s ALA 1316CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1jm6 n GLY 1317N -0.41 1.42 0.17 0.00 0.00 -0.86 -4.67 105.19 100.84 1jm6 n GLY 1317Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1jm6 n GLY 1317CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jm6 h PHE 1318N 0.00 0.65 -0.19 1.61 -1.00 -1.71 -3.38 116.94 112.92 1jm6 h PHE 1318Ca 0.00 -0.25 -0.08 0.00 2.81 0.00 0.00 57.97 60.45 1jm6 h PHE 1318Cb 0.00 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.41 1jm6 h PHE 1318CO 0.00 0.99 -0.07 0.41 -1.61 0.00 0.00 178.31 178.03 1jm6 n GLY 1319N 0.51 0.68 0.00 -1.45 0.00 -1.26 -4.85 105.19 98.82 1jm6 n GLY 1319Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1jm6 n GLY 1319CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1jm6 n TYR 1320N -2.87 0.00 -0.37 1.61 0.18 -1.26 -4.19 117.16 110.26 1jm6 n TYR 1320Ca -0.04 -0.01 0.01 0.00 1.88 0.00 0.00 57.90 59.74 1jm6 n TYR 1320Cb 0.14 -0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.25 1jm6 n TYR 1320CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1jm6 h GLY 1321N 0.00 1.50 0.12 -7.48 0.00 -1.95 -2.21 103.07 93.05 1jm6 h GLY 1321Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1jm6 h GLY 1321CO 0.00 0.38 -0.02 1.41 0.00 0.00 0.00 176.54 178.32 1jm6 h LEU 1322N 1.22 -0.04 -1.05 3.11 3.38 -1.88 -2.95 115.31 117.10 1jm6 h LEU 1322Ca 0.42 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jm6 h LEU 1322Cb 0.09 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1jm6 h LEU 1322CO -0.15 0.74 0.64 -0.65 0.09 0.00 0.00 178.44 179.11 1jm6 h PRO 1323N -0.93 1.27 -0.23 1.13 0.11 -1.78 -1.72 132.00 129.85 1jm6 h PRO 1323Ca -0.00 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 1jm6 h PRO 1323Cb 0.68 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1jm6 h PRO 1323CO 0.01 0.84 -0.41 0.82 -0.21 0.00 0.00 178.00 179.04 1jm6 h ILE 1324N 1.31 1.31 -0.85 4.15 5.03 -1.52 -1.92 117.51 125.02 1jm6 h ILE 1324Ca 0.36 -1.62 0.16 0.00 -0.12 0.00 0.00 64.86 63.64 1jm6 h ILE 1324Cb -0.15 1.77 -0.10 0.00 -3.03 0.00 0.00 36.82 35.32 1jm6 h ILE 1324CO -0.08 0.51 0.41 0.28 -0.68 0.00 0.00 178.15 178.59 1jm6 h SER 1325N 0.40 0.45 0.07 1.72 0.02 -1.31 0.67 113.55 115.57 1jm6 h SER 1325Ca 0.01 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1jm6 h SER 1325Cb 1.01 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1jm6 h SER 1325CO 0.09 0.15 -0.28 -0.09 -1.14 0.00 0.00 176.83 175.57 1jm6 h ARG 1326N 0.55 0.33 -0.27 3.45 2.43 -1.11 -2.46 114.38 117.29 1jm6 h ARG 1326Ca 0.48 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1jm6 h ARG 1326Cb 0.75 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1jm6 h ARG 1326CO -0.41 0.59 0.12 -0.07 -1.51 0.00 0.00 179.97 178.69 1jm6 h LEU 1327N 0.30 0.37 -1.18 3.80 3.38 0.98 -1.99 115.31 120.97 1jm6 h LEU 1327Ca 0.04 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.00 1jm6 h LEU 1327Cb 0.65 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1jm6 h LEU 1327CO 0.05 0.41 0.59 1.88 0.09 0.00 0.00 178.44 181.46 1jm6 h TYR 1328N 0.30 0.95 -0.32 1.13 -1.99 -0.22 -1.68 116.97 115.15 1jm6 h TYR 1328Ca 0.09 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.69 1jm6 h TYR 1328Cb 0.15 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 1jm6 h TYR 1328CO -0.01 0.37 -0.42 0.00 -0.00 0.00 0.00 178.16 178.09 1jm6 h ALA 1329N 1.58 0.48 -0.28 3.88 0.00 -1.11 -3.13 119.26 120.67 1jm6 h ALA 1329Ca 0.46 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jm6 h ALA 1329Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jm6 h ALA 1329CO -0.23 0.60 -0.20 0.87 0.00 0.00 0.00 179.25 180.29 1jm6 h LYS 1330N 0.62 0.52 -0.70 0.00 1.57 -0.86 0.32 116.57 118.04 1jm6 h LYS 1330Ca 0.04 -0.18 0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1jm6 h LYS 1330Cb 1.02 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.15 1jm6 h LYS 1330CO 0.10 0.70 -0.21 -0.92 -0.57 0.00 0.00 179.45 178.54 1jm6 h TYR 1331N 0.47 -0.49 -0.93 -1.35 3.20 -1.26 0.64 116.97 117.25 1jm6 h TYR 1331Ca 0.07 0.07 -0.55 0.00 3.14 0.00 0.00 58.73 61.47 1jm6 h TYR 1331Cb 0.61 0.32 -0.29 0.00 1.54 0.00 0.00 36.73 38.92 1jm6 h TYR 1331CO 0.02 -0.32 0.61 1.19 -1.64 0.00 0.00 178.16 178.02 1jm6 n PHE 1332N -5.47 2.94 -2.40 -3.82 0.99 -1.25 0.18 117.46 108.62 1jm6 n PHE 1332Ca 0.09 -2.26 -0.01 0.00 -0.00 0.00 0.00 57.45 55.27 1jm6 n PHE 1332Cb 0.37 -1.06 0.00 0.00 -1.00 0.00 0.00 39.48 37.79 1jm6 n PHE 1332CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1jm6 n GLN 1333N -1.05 -0.33 0.00 -1.08 1.13 0.22 -4.36 117.38 111.91 1jm6 n GLN 1333Ca 0.58 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 1jm6 n GLN 1333Cb 1.24 -2.96 0.00 0.00 0.11 0.00 0.00 30.24 28.63 1jm6 n GLN 1333CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jm6 n GLY 1334N -0.71 4.21 3.60 1.08 0.00 0.11 -4.56 105.19 108.92 1jm6 n GLY 1334Ca -0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 1jm6 n GLY 1334CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jm6 s ASP 1335N 0.41 -0.17 -0.08 1.61 3.68 -0.48 -4.18 116.67 117.46 1jm6 s ASP 1335Ca 0.00 -0.07 -0.00 0.00 2.13 0.00 0.00 52.55 54.61 1jm6 s ASP 1335Cb 0.00 0.23 0.02 0.00 -1.45 0.00 0.00 42.92 41.72 1jm6 s ASP 1335CO 0.00 -0.39 -0.04 -0.22 0.13 0.00 0.00 175.17 174.65 1jm6 s LEU 1336N -2.49 1.01 -0.01 -1.34 0.20 -1.26 -0.57 118.68 114.22 1jm6 s LEU 1336Ca 0.10 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.77 1jm6 s LEU 1336Cb 0.00 -0.61 -0.01 0.00 -0.43 0.00 0.00 46.19 45.15 1jm6 s LEU 1336CO -0.05 -0.12 -0.13 -1.10 -0.29 0.00 0.00 176.35 174.66 1jm6 s GLN 1337N 1.58 1.08 -0.15 1.98 -0.21 0.44 -4.95 119.66 119.43 1jm6 s GLN 1337Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 1jm6 s GLN 1337Cb -0.13 -1.04 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1jm6 s GLN 1337CO -0.05 0.27 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.13 1jm6 s LEU 1338N -0.26 2.87 -0.08 2.90 2.96 -1.26 -0.36 118.68 125.45 1jm6 s LEU 1338Ca 0.04 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1jm6 s LEU 1338Cb -0.06 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1jm6 s LEU 1338CO -0.00 0.13 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.66 1jm6 s PHE 1339N 0.59 1.64 0.33 5.38 0.40 0.64 -4.98 117.98 121.98 1jm6 s PHE 1339Ca -0.06 -0.65 0.10 0.00 -0.60 0.00 0.00 56.93 55.72 1jm6 s PHE 1339Cb -0.15 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.13 1jm6 s PHE 1339CO 0.03 -0.33 -0.11 0.45 0.70 0.00 0.00 175.22 175.96 1jm6 s SER 1340N 0.73 3.72 -0.29 1.36 0.15 -1.26 0.12 113.70 118.24 1jm6 s SER 1340Ca -0.13 -1.15 -0.00 0.00 0.70 0.00 0.00 55.95 55.37 1jm6 s SER 1340Cb -0.16 -0.35 0.09 0.00 -1.71 0.00 0.00 66.02 63.89 1jm6 s SER 1340CO 0.03 -0.15 0.06 -0.04 1.20 0.00 0.00 173.24 174.33 1jm6 s MET 1341N -3.59 0.97 0.22 5.44 -1.94 -0.58 -4.95 119.30 114.87 1jm6 s MET 1341Ca 0.32 -1.08 -0.32 0.00 -1.71 0.00 0.00 55.69 52.90 1jm6 s MET 1341Cb 0.01 -2.28 -0.14 0.00 2.01 0.00 0.00 34.83 34.43 1jm6 s MET 1341CO 0.16 -0.87 1.42 -1.91 -0.01 0.00 0.00 175.02 173.82 1jm6 n GLU 1342N 4.76 1.98 0.00 2.03 2.13 -1.26 -1.16 120.64 129.12 1jm6 n GLU 1342Ca -0.04 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1jm6 n GLU 1342Cb 0.43 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1jm6 n GLU 1342CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jm6 n GLY 1343N 2.36 2.22 1.05 8.31 0.00 -0.79 -4.87 105.19 113.48 1jm6 n GLY 1343Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jm6 n GLY 1343CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jm6 n PHE 1344N -2.00 -0.03 -3.12 1.61 7.35 -0.31 -4.76 117.46 116.21 1jm6 n PHE 1344Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jm6 n PHE 1344Cb 0.00 0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1jm6 n PHE 1344CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jm6 n GLY 1345N 3.43 -0.93 3.06 7.13 0.00 -1.04 -1.90 105.19 114.94 1jm6 n GLY 1345Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1jm6 n GLY 1345CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jm6 s THR 1346N -3.00 0.12 -0.13 2.61 -1.32 -0.76 -1.52 115.64 111.63 1jm6 s THR 1346Ca 0.00 -0.95 -0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1jm6 s THR 1346Cb 0.00 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1jm6 s THR 1346CO 0.00 -0.53 -0.12 -1.81 -2.21 0.00 0.00 174.62 169.95 1jm6 s ASP 1347N -1.71 4.10 -0.20 8.08 1.01 0.32 -1.61 116.67 126.66 1jm6 s ASP 1347Ca -0.11 -0.30 -0.03 0.00 0.71 0.00 0.00 52.55 52.82 1jm6 s ASP 1347Cb -0.06 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.27 1jm6 s ASP 1347CO -0.02 0.18 -0.08 0.00 0.21 0.00 0.00 175.17 175.46 1jm6 s ALA 1348N 0.29 2.71 -0.12 5.23 0.00 -0.64 -0.26 121.76 128.98 1jm6 s ALA 1348Ca -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1jm6 s ALA 1348Cb -0.15 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.43 1jm6 s ALA 1348CO 0.05 -0.32 -0.14 0.08 0.00 0.00 0.00 175.76 175.43 1jm6 s VAL 1349N 1.29 1.46 -0.30 0.00 1.01 0.51 -0.20 120.40 124.17 1jm6 s VAL 1349Ca 0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1jm6 s VAL 1349Cb -0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1jm6 s VAL 1349CO -0.04 0.44 0.41 -0.63 0.00 0.00 0.00 175.10 175.28 1jm6 s ILE 1350N 1.18 5.13 -0.16 2.22 1.01 -0.59 -0.42 121.20 129.58 1jm6 s ILE 1350Ca -0.03 0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 1jm6 s ILE 1350Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1jm6 s ILE 1350CO -0.05 0.01 0.04 -0.31 0.00 0.00 0.00 174.94 174.64 1jm6 s TYR 1351N 2.15 3.23 0.35 3.97 1.51 0.26 -1.99 117.35 126.82 1jm6 s TYR 1351Ca 0.15 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1jm6 s TYR 1351Cb -0.16 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.63 1jm6 s TYR 1351CO 0.11 0.23 0.05 -0.51 -1.11 0.00 0.00 175.55 174.32 1jm6 s LEU 1352N 0.03 2.31 0.11 -1.29 1.43 0.88 -1.38 118.68 120.76 1jm6 s LEU 1352Ca 0.05 -1.39 -0.29 0.00 -1.03 0.00 0.00 54.13 51.46 1jm6 s LEU 1352Cb -0.12 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1jm6 s LEU 1352CO 0.01 -0.60 0.93 -0.54 0.23 0.00 0.00 176.35 176.38 1jm6 s LYS 1353N -3.85 4.67 0.25 1.70 -0.14 -1.26 -1.75 119.74 119.36 1jm6 s LYS 1353Ca 0.35 1.39 0.14 0.00 -1.36 0.00 0.00 55.97 56.49 1jm6 s LYS 1353Cb 0.09 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.89 1jm6 s LYS 1353CO 0.16 0.25 1.42 0.00 -0.76 0.00 0.00 175.35 176.41 1jm6 h ALA 1354N 5.49 0.62 -3.21 5.17 0.00 -1.70 -3.43 119.26 122.21 1jm6 h ALA 1354Ca -0.43 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.31 1jm6 h ALA 1354Cb 1.21 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1jm6 h ALA 1354CO 0.71 0.74 -0.56 -0.51 0.00 0.00 0.00 179.25 179.64 1jm6 s LEU 1355N -6.52 3.88 0.58 0.00 1.43 -1.26 -4.77 118.68 112.03 1jm6 s LEU 1355Ca 0.03 0.15 0.28 0.00 -1.03 0.00 0.00 54.13 53.56 1jm6 s LEU 1355Cb 0.08 -1.97 1.68 0.00 0.03 0.00 0.00 46.19 46.02 1jm6 s LEU 1355CO 0.76 0.23 2.15 0.28 0.23 0.00 0.00 176.35 180.00 1jm6 h SER 1356N 6.29 0.00 0.55 2.29 0.02 -1.90 -1.31 113.55 119.49 1jm6 h SER 1356Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1jm6 h SER 1356Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1jm6 h SER 1356CO 0.67 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 177.43 1jm6 n THR 1357N -3.88 0.93 0.50 -2.27 5.66 -1.26 -2.53 114.28 111.44 1jm6 n THR 1357Ca -0.00 0.33 0.05 0.00 -3.05 0.00 0.00 64.05 61.38 1jm6 n THR 1357Cb 0.23 -1.25 -0.04 0.00 -1.55 0.00 0.00 70.33 67.72 1jm6 n THR 1357CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jm6 n ASP 1358N -2.12 0.71 -4.49 1.09 8.00 -0.50 -4.87 116.55 114.39 1jm6 n ASP 1358Ca 0.02 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 1jm6 n ASP 1358Cb 0.18 0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 42.12 1jm6 n ASP 1358CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jm6 s SER 1359N -1.87 6.78 -0.10 -2.24 0.01 -1.05 -4.87 113.70 110.36 1jm6 s SER 1359Ca 0.05 -2.32 0.01 0.00 1.31 0.00 0.00 55.95 55.00 1jm6 s SER 1359Cb 0.08 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1jm6 s SER 1359CO 0.40 -1.04 -0.12 0.68 0.41 0.00 0.00 173.24 173.57 1jm6 s VAL 1360N 2.85 3.16 0.28 3.43 -7.23 -1.26 -0.25 120.40 121.37 1jm6 s VAL 1360Ca 0.41 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 1jm6 s VAL 1360Cb -0.02 -2.30 -0.13 0.00 0.56 0.00 0.00 36.38 34.49 1jm6 s VAL 1360CO -0.04 0.55 1.39 -1.84 -0.31 0.00 0.00 175.10 174.84 1jm6 n GLU 1361N 3.09 2.12 -3.93 4.82 0.28 -0.67 -4.12 120.64 122.23 1jm6 n GLU 1361Ca -0.18 0.75 -0.31 0.00 -0.16 0.00 0.00 57.16 57.27 1jm6 n GLU 1361Cb 0.53 -2.40 -0.04 0.00 1.43 0.00 0.00 31.44 30.96 1jm6 n GLU 1361CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1jm6 s ARG 1362N -0.86 3.40 0.00 3.44 3.52 0.47 -4.54 118.95 124.38 1jm6 s ARG 1362Ca 0.64 -0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 55.64 1jm6 s ARG 1362Cb -0.61 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1jm6 s ARG 1362CO 0.53 0.60 0.25 -0.51 -0.81 0.00 0.00 175.30 175.36 1jm6 s LEU 1363N -2.57 1.10 0.77 -0.88 1.43 -1.26 -4.81 118.68 112.47 1jm6 s LEU 1363Ca 0.35 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1jm6 s LEU 1363Cb -0.13 1.08 0.06 0.00 0.03 0.00 0.00 46.19 47.24 1jm6 s LEU 1363CO 0.28 -0.46 1.12 -2.84 0.23 0.00 0.00 176.35 174.68 1jm6 s PRO 1364N -1.60 2.09 0.00 1.29 0.02 -1.26 -5.08 135.00 130.46 1jm6 s PRO 1364Ca -0.12 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1jm6 s PRO 1364Cb -0.05 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1jm6 s PRO 1364CO 0.02 -1.80 0.00 0.28 -0.33 0.00 0.00 177.00 175.17