#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nju n GLU 1005N 0.00 0.58 0.22 -1.24 1.02 -1.26 -4.22 120.64 115.73 1nju n GLU 1005Ca 0.00 0.34 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 1nju n GLU 1005Cb 0.00 -1.55 0.76 0.00 -0.02 0.00 0.00 31.44 30.63 1nju n GLU 1005CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1nju h GLN 1006N -1.00 0.00 0.00 3.49 4.15 -2.06 0.55 115.11 120.24 1nju h GLN 1006Ca -0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1nju h GLN 1006Cb 1.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1nju h GLN 1006CO -0.34 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.50 1nju n GLN 1007N -2.55 0.20 -0.02 1.69 7.27 -1.26 -1.61 117.38 121.10 1nju n GLN 1007Ca -0.01 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.15 1nju n GLN 1007Cb 0.09 -1.50 -0.17 0.00 2.41 0.00 0.00 30.24 31.08 1nju n GLN 1007CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1nju n SER 1008N -1.40 0.08 0.06 1.69 2.88 0.19 -3.62 113.62 113.50 1nju n SER 1008Ca 0.10 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 1nju n SER 1008Cb 0.29 1.91 -0.12 0.00 -0.75 0.00 0.00 64.21 65.55 1nju n SER 1008CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1nju h GLN 1009N 0.00 0.00 -0.24 -1.46 4.20 -1.16 -3.16 115.11 113.30 1nju h GLN 1009Ca -0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1nju h GLN 1009Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1nju h GLN 1009CO 0.00 0.96 -0.28 0.00 -0.67 0.00 0.00 178.83 178.84 1nju h ALA 1010N 1.01 0.35 -0.48 3.87 0.00 -1.44 -3.03 119.26 119.55 1nju h ALA 1010Ca -0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1nju h ALA 1010Cb 1.78 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 19.35 1nju h ALA 1010CO 0.13 0.36 0.32 1.33 0.00 0.00 0.00 179.25 181.38 1nju n VAL 1011N -4.33 2.08 -3.15 0.00 0.24 -1.24 -4.79 118.33 107.14 1nju n VAL 1011Ca -0.05 -0.94 -0.26 0.00 -2.04 0.00 0.00 64.34 61.06 1nju n VAL 1011Cb 0.46 -0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 32.06 1nju n VAL 1011CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nju s ALA 1012N -1.59 3.60 0.10 2.33 0.00 -1.15 -4.93 121.76 120.12 1nju s ALA 1012Ca 0.27 -0.72 -0.35 0.00 0.00 0.00 0.00 51.96 51.16 1nju s ALA 1012Cb 0.23 -2.29 -0.15 0.00 0.00 0.00 0.00 23.12 20.91 1nju s ALA 1012CO 0.05 -0.07 1.52 -2.30 0.00 0.00 0.00 175.76 174.96 1nju n PRO 1013N -1.76 1.77 -4.45 0.00 -0.02 -1.26 -4.98 135.00 124.30 1nju n PRO 1013Ca -0.03 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1nju n PRO 1013Cb 0.55 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 1nju n PRO 1013CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nju s VAL 1014N 1.05 4.02 -0.03 -1.45 1.01 -0.62 -4.80 120.40 119.58 1nju s VAL 1014Ca 0.82 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1nju s VAL 1014Cb -0.79 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1nju s VAL 1014CO 0.43 0.57 0.16 -0.31 0.00 0.00 0.00 175.10 175.95 1nju s TYR 1015N -0.48 3.53 -0.03 5.22 1.51 0.10 0.66 117.35 127.86 1nju s TYR 1015Ca 0.08 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.55 1nju s TYR 1015Cb -0.12 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1nju s TYR 1015CO 0.02 0.65 -0.15 0.54 -1.11 0.00 0.00 175.55 175.50 1nju s VAL 1016N -1.25 1.24 0.04 0.71 0.11 0.11 -0.70 120.40 120.66 1nju s VAL 1016Ca 0.24 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1nju s VAL 1016Cb -0.12 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1nju s VAL 1016CO 0.15 0.36 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.43 1nju s GLY 1017N -0.06 0.39 0.00 6.54 0.00 -0.15 0.50 107.32 114.54 1nju s GLY 1017Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1nju s GLY 1017CO 0.01 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.61 1nju n GLY 1018N 0.54 1.37 3.81 0.20 0.00 -0.82 -0.61 105.19 109.68 1nju n GLY 1018Ca -0.17 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1nju n GLY 1018CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nju s PHE 1019N -2.00 3.68 -0.31 1.61 0.40 -1.26 -0.90 117.98 119.20 1nju s PHE 1019Ca 0.00 1.48 0.22 0.00 -0.60 0.00 0.00 56.93 58.03 1nju s PHE 1019Cb 0.00 -2.69 -0.14 0.00 0.51 0.00 0.00 43.02 40.70 1nju s PHE 1019CO 0.00 0.33 0.80 1.28 0.70 0.00 0.00 175.22 178.32 1nju n LEU 1020N 0.76 0.45 -3.56 -0.37 4.77 0.19 -4.11 117.00 115.13 1nju n LEU 1020Ca -0.02 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1nju n LEU 1020Cb 0.51 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1nju n LEU 1020CO 0.43 -0.02 0.59 0.00 -1.33 0.00 0.00 177.39 177.07 1nju s ALA 1021N -3.36 -1.85 -0.23 -1.18 0.00 -1.18 -4.63 121.76 109.34 1nju s ALA 1021Ca -0.02 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1nju s ALA 1021Cb 0.13 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1nju s ALA 1021CO 0.85 -0.33 -0.14 1.03 0.00 0.00 0.00 175.76 177.17 1nju s ARG 1022N -0.98 2.61 0.52 0.00 1.81 -1.26 -1.21 118.95 120.44 1nju s ARG 1022Ca -0.06 -1.10 0.23 0.00 -1.72 0.00 0.00 55.73 53.08 1nju s ARG 1022Cb -0.01 -2.79 1.34 0.00 -0.45 0.00 0.00 34.95 33.05 1nju s ARG 1022CO 0.05 -0.41 2.02 1.88 -0.68 0.00 0.00 175.30 178.16 1nju h TYR 1023N 7.87 0.04 0.00 -0.53 0.05 -1.04 -1.09 116.97 122.27 1nju h TYR 1023Ca -0.31 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 1nju h TYR 1023Cb 1.09 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 1nju h TYR 1023CO 0.57 0.02 -0.57 0.38 -1.05 0.00 0.00 178.16 177.51 1nju h ASP 1024N 0.04 0.00 -3.75 3.88 3.04 -1.93 -3.45 116.42 114.25 1nju h ASP 1024Ca 0.22 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.52 1nju h ASP 1024Cb 0.83 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.09 1nju h ASP 1024CO -0.01 0.57 0.32 -1.10 -2.04 0.00 0.00 179.24 176.97 1nju s GLN 1025N -3.32 4.73 -0.26 4.15 -1.52 -0.41 -5.05 119.66 117.98 1nju s GLN 1025Ca 0.01 1.38 -0.06 0.00 -1.95 0.00 0.00 55.36 54.74 1nju s GLN 1025Cb 0.10 -3.14 -0.01 0.00 -0.22 0.00 0.00 33.01 29.75 1nju s GLN 1025CO 0.74 0.46 0.05 0.45 -0.25 0.00 0.00 175.29 176.74 1nju s SER 1026N -1.31 4.93 1.06 5.90 0.15 -1.26 -4.87 113.70 118.31 1nju s SER 1026Ca 0.43 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.51 1nju s SER 1026Cb -0.23 -1.87 0.11 0.00 -1.71 0.00 0.00 66.02 62.33 1nju s SER 1026CO 0.29 -0.08 0.37 -2.65 1.20 0.00 0.00 173.24 172.36 1nju n PRO 1027N 4.88 -1.24 0.00 5.44 -0.02 -1.26 -4.89 135.00 137.90 1nju n PRO 1027Ca -0.16 -0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.11 1nju n PRO 1027Cb 0.50 -1.87 0.21 0.00 -0.02 0.00 0.00 33.50 32.32 1nju n PRO 1027CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nju n ASP 1028N -2.25 1.38 -3.90 2.55 5.68 -1.26 -4.87 116.55 113.89 1nju n ASP 1028Ca 0.04 -1.11 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 1nju n ASP 1028Cb 0.57 0.30 -0.14 0.00 -1.14 0.00 0.00 41.12 40.71 1nju n ASP 1028CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1nju s GLU 1029N -2.53 0.14 0.16 0.11 2.02 -1.26 -5.07 118.70 112.28 1nju s GLU 1029Ca 0.21 -0.06 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 1nju s GLU 1029Cb 0.19 -0.14 0.10 0.00 0.10 0.00 0.00 34.13 34.37 1nju s GLU 1029CO 0.56 0.04 1.71 0.00 0.02 0.00 0.00 175.26 177.58 1nju h ALA 1030N 6.12 0.37 0.00 5.21 0.00 -2.00 -2.15 119.26 126.80 1nju h ALA 1030Ca -0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nju h ALA 1030Cb 1.20 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1nju h ALA 1030CO 0.51 -0.38 0.27 1.05 0.00 0.00 0.00 179.25 180.70 1nju h GLU 1031N 0.12 0.00 -0.00 0.00 4.11 -1.97 0.31 114.58 117.15 1nju h GLU 1031Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1nju h GLU 1031Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nju h GLU 1031CO -0.30 0.00 -0.25 1.28 0.07 0.00 0.00 179.01 179.81 1nju n LEU 1032N -2.63 0.65 -4.68 3.06 4.77 -0.81 -4.61 117.00 112.75 1nju n LEU 1032Ca -0.02 -0.06 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 1nju n LEU 1032Cb 0.31 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1nju n LEU 1032CO 0.11 0.13 1.44 0.18 -1.33 0.00 0.00 177.39 177.93 1nju n LEU 1033N -1.01 3.80 -3.08 2.23 4.77 0.11 -4.85 117.00 118.97 1nju n LEU 1033Ca 0.11 1.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.95 1nju n LEU 1033Cb 0.32 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 39.88 1nju n LEU 1033CO 0.28 0.07 -0.07 -0.22 -1.33 0.00 0.00 177.39 176.11 1nju s LEU 1034N 2.73 -0.27 0.75 2.23 2.96 -1.26 -4.80 118.68 121.02 1nju s LEU 1034Ca 0.83 -2.14 -0.11 0.00 -0.22 0.00 0.00 54.13 52.49 1nju s LEU 1034Cb -0.55 0.91 0.04 0.00 0.50 0.00 0.00 46.19 47.10 1nju s LEU 1034CO 0.40 -0.12 1.08 -2.16 -1.32 0.00 0.00 176.35 174.22 1nju s PRO 1035N 0.70 2.44 0.17 0.98 0.04 -1.26 -4.85 135.00 133.21 1nju s PRO 1035Ca 0.29 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1nju s PRO 1035Cb -0.01 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1nju s PRO 1035CO -0.10 -1.44 1.62 -0.09 0.04 0.00 0.00 177.00 177.02 1nju h ARG 1036N -0.97 -0.19 -0.14 4.56 2.43 -1.99 -2.03 114.38 116.05 1nju h ARG 1036Ca -0.45 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1nju h ARG 1036Cb 1.23 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1nju h ARG 1036CO 0.56 -0.13 -0.09 0.38 -1.51 0.00 0.00 179.97 179.18 1nju h ASP 1037N -0.20 -0.30 -0.76 -3.80 3.04 -1.99 0.16 116.42 112.57 1nju h ASP 1037Ca 0.18 0.07 0.04 0.00 -3.24 0.00 0.00 57.03 54.08 1nju h ASP 1037Cb 0.48 0.16 -0.05 0.00 -1.04 0.00 0.00 39.33 38.88 1nju h ASP 1037CO -0.49 -0.13 0.47 0.58 -2.04 0.00 0.00 179.24 177.63 1nju h VAL 1038N -0.10 1.06 0.10 4.15 2.07 -1.88 -1.02 116.25 120.63 1nju h VAL 1038Ca 0.09 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nju h VAL 1038Cb 0.22 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1nju h VAL 1038CO -0.20 0.16 -0.05 0.58 0.02 0.00 0.00 177.57 178.08 1nju h VAL 1039N 0.89 1.01 -0.89 2.57 2.07 -0.86 -0.55 116.25 120.49 1nju h VAL 1039Ca 0.32 -0.40 0.22 0.00 0.82 0.00 0.00 66.70 67.66 1nju h VAL 1039Cb 0.09 1.27 -0.13 0.00 -1.52 0.00 0.00 31.29 31.00 1nju h VAL 1039CO -0.14 0.10 0.37 -0.33 0.02 0.00 0.00 177.57 177.59 1nju h GLU 1040N -0.31 0.36 0.38 1.57 4.39 -0.18 -0.39 114.58 120.40 1nju h GLU 1040Ca -0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1nju h GLU 1040Cb 0.26 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1nju h GLU 1040CO 0.02 0.24 -0.18 0.45 -1.16 0.00 0.00 179.01 178.38 1nju h HIS 1041N 0.37 -0.48 -0.91 4.33 3.86 -0.91 -3.03 115.15 118.38 1nju h HIS 1041Ca 0.56 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.94 1nju h HIS 1041Cb 1.06 0.16 -0.11 0.00 1.06 0.00 0.00 27.41 29.58 1nju h HIS 1041CO -0.15 -0.16 0.48 -1.49 0.86 0.00 0.00 177.93 177.46 1nju h TRP 1042N -0.98 0.82 -0.80 2.45 6.55 -0.60 0.94 115.95 124.33 1nju h TRP 1042Ca -0.05 0.04 0.06 0.00 0.95 0.00 0.00 58.89 59.89 1nju h TRP 1042Cb 0.53 -0.22 -0.06 0.00 -0.86 0.00 0.00 29.16 28.55 1nju h TRP 1042CO 0.03 0.11 0.48 -0.07 -1.05 0.00 0.00 178.44 177.94 1nju h LEU 1043N 0.58 0.74 0.10 -4.49 3.38 -1.12 -2.94 115.31 111.55 1nju h LEU 1043Ca 0.54 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.55 1nju h LEU 1043Cb 0.89 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1nju h LEU 1043CO -0.43 0.47 -0.24 0.45 0.09 0.00 0.00 178.44 178.78 1nju h HIS 1044N 0.88 -0.64 -1.11 1.13 3.86 -0.68 -2.87 115.15 115.72 1nju h HIS 1044Ca 0.35 0.01 -0.51 0.00 -1.16 0.00 0.00 60.37 59.06 1nju h HIS 1044Cb 0.18 0.27 -0.18 0.00 1.06 0.00 0.00 27.41 28.74 1nju h HIS 1044CO -0.05 -0.34 0.43 0.00 0.86 0.00 0.00 177.93 178.84 1nju n ALA 1045N -2.58 6.44 -2.90 2.45 0.00 -1.12 -5.14 120.51 117.66 1nju n ALA 1045Ca -0.06 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1nju n ALA 1045Cb 0.27 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1nju n ALA 1045CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1nju n GLN 1046N 0.78 0.00 0.00 0.00 -0.06 -1.09 -4.76 117.38 112.25 1nju n GLN 1046Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1nju n GLN 1046Cb 0.53 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.71 1nju n GLN 1046CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1nju n LEU 1053N 0.00 0.00 0.00 1.69 4.77 -1.26 -4.62 117.00 117.58 1nju n LEU 1053Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nju n LEU 1053Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nju n LEU 1053CO 0.00 0.00 0.36 -0.24 -1.33 0.00 0.00 177.39 176.18 1nju n SER 1054N 1.25 0.00 -4.40 -1.43 2.88 -1.26 -4.12 113.62 106.54 1nju n SER 1054Ca 0.00 0.73 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 1nju n SER 1054Cb 0.00 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.15 1nju n SER 1054CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nju s VAL 1055N -1.91 5.13 -0.37 2.46 1.01 -1.26 -5.01 120.40 120.46 1nju s VAL 1055Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 61.98 60.70 1nju s VAL 1055Cb 0.00 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1nju s VAL 1055CO 0.00 -0.46 1.29 0.00 0.00 0.00 0.00 175.10 175.92 1nju n ALA 1056N 5.16 -0.67 -1.76 5.51 0.00 -1.26 -4.83 120.51 122.65 1nju n ALA 1056Ca -0.12 0.30 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1nju n ALA 1056Cb 0.45 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.47 1nju n ALA 1056CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nju s LEU 1057N 2.82 3.95 0.55 0.00 1.02 -1.25 -4.76 118.68 121.00 1nju s LEU 1057Ca 0.80 2.55 -0.19 0.00 0.02 0.00 0.00 54.13 57.31 1nju s LEU 1057Cb -1.10 -4.24 -0.06 0.00 0.02 0.00 0.00 46.19 40.82 1nju s LEU 1057CO 0.57 -1.23 1.09 -2.84 0.02 0.00 0.00 176.35 173.96 1nju s PRO 1058N -2.77 3.41 -0.24 1.29 0.02 -1.26 -0.20 135.00 135.25 1nju s PRO 1058Ca 0.67 1.48 0.02 0.00 0.02 0.00 0.00 61.00 63.19 1nju s PRO 1058Cb -0.35 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.19 1nju s PRO 1058CO 0.42 -0.77 -0.13 -1.17 -0.33 0.00 0.00 177.00 175.01 1nju s LEU 1059N -3.91 3.08 0.39 -5.54 0.20 -0.73 -2.12 118.68 110.06 1nju s LEU 1059Ca 0.70 -1.20 0.04 0.00 0.69 0.00 0.00 54.13 54.36 1nju s LEU 1059Cb -0.21 -1.52 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 1nju s LEU 1059CO 0.28 -0.14 0.05 0.54 -0.29 0.00 0.00 176.35 176.79 1nju s ASN 1060N 1.16 3.09 -0.20 3.68 2.20 -0.69 -0.17 114.94 124.01 1nju s ASN 1060Ca -0.05 -1.49 -0.19 0.00 -0.94 0.00 0.00 52.86 50.18 1nju s ASN 1060Cb -0.18 0.10 -0.03 0.00 -2.00 0.00 0.00 41.25 39.13 1nju s ASN 1060CO -0.07 -0.69 0.55 -0.63 -2.94 0.00 0.00 177.10 173.32 1nju s ILE 1061N -3.08 5.08 -1.01 0.54 -1.09 -0.35 -0.14 121.20 121.15 1nju s ILE 1061Ca 0.28 1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1nju s ILE 1061Cb 0.06 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1nju s ILE 1061CO 0.14 0.16 0.01 -3.20 -1.23 0.00 0.00 174.94 170.82 1nju n ASN 1062N 4.83 0.57 0.00 3.58 4.05 0.66 -1.28 115.26 127.66 1nju n ASN 1062Ca -0.04 -0.83 0.00 0.00 0.45 0.00 0.00 54.58 54.16 1nju n ASN 1062Cb 0.50 -1.03 0.00 0.00 1.23 0.00 0.00 39.78 40.48 1nju n ASN 1062CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1nju n HIS 1063N -3.31 0.00 -2.26 1.20 8.25 -1.26 -4.97 115.22 112.87 1nju n HIS 1063Ca -0.21 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 1nju n HIS 1063Cb 0.45 -0.61 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 1nju n HIS 1063CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nju s ASP 1064N -2.74 6.51 0.00 0.41 -1.08 -0.41 -4.86 116.67 114.51 1nju s ASP 1064Ca 0.00 1.42 0.04 0.00 -0.52 0.00 0.00 52.55 53.48 1nju s ASP 1064Cb 0.00 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 39.10 1nju s ASP 1064CO 0.00 -1.18 1.03 -0.90 0.52 0.00 0.00 175.17 174.64 1nju n ASP 1065N 8.09 0.00 -0.10 -0.34 3.85 -1.26 -0.58 116.55 126.21 1nju n ASP 1065Ca 0.17 0.37 0.11 0.00 -0.71 0.00 0.00 54.79 54.73 1nju n ASP 1065Cb 0.46 -0.40 0.02 0.00 -1.35 0.00 0.00 41.12 39.85 1nju n ASP 1065CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1nju n THR 1066N -1.40 0.00 -2.12 2.12 -2.24 -1.26 -4.39 114.28 105.00 1nju n THR 1066Ca 0.01 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1nju n THR 1066Cb 0.04 0.83 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1nju n THR 1066CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nju n ALA 1067N -1.21 5.84 -2.55 6.98 0.00 0.25 0.35 120.51 130.18 1nju n ALA 1067Ca 0.06 -4.15 -0.43 0.00 0.00 0.00 0.00 53.44 48.92 1nju n ALA 1067Cb 0.35 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1nju n ALA 1067CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nju s VAL 1068N -5.23 4.48 -0.37 0.00 1.01 -1.26 -1.21 120.40 117.82 1nju s VAL 1068Ca 0.51 1.79 0.09 0.00 0.00 0.00 0.00 61.98 64.37 1nju s VAL 1068Cb 0.43 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1nju s VAL 1068CO -0.28 -0.10 0.35 1.33 0.00 0.00 0.00 175.10 176.41 1nju n VAL 1069N 5.06 0.00 -1.04 2.92 0.24 0.76 -1.76 118.33 124.50 1nju n VAL 1069Ca 0.12 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1nju n VAL 1069Cb 0.46 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1nju n VAL 1069CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nju n GLY 1070N 1.28 1.22 3.41 7.63 0.00 -1.02 -0.46 105.19 117.25 1nju n GLY 1070Ca 0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1nju n GLY 1070CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nju s HIS 1071N -0.16 0.33 -0.31 1.61 -3.43 -1.05 -1.77 115.29 110.52 1nju s HIS 1071Ca 0.00 -0.68 -0.17 0.00 -0.80 0.00 0.00 55.06 53.41 1nju s HIS 1071Cb 0.00 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1nju s HIS 1071CO 0.00 -0.80 0.45 0.08 -2.00 0.00 0.00 174.74 172.47 1nju s VAL 1072N -3.97 5.10 -0.19 -5.38 1.01 0.71 -1.29 120.40 116.40 1nju s VAL 1072Ca 0.17 0.46 0.22 0.00 0.00 0.00 0.00 61.98 62.83 1nju s VAL 1072Cb 0.02 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1nju s VAL 1072CO 0.01 -0.03 0.92 0.00 0.00 0.00 0.00 175.10 176.00 1nju n ALA 1073N 5.52 2.46 -3.09 5.51 0.00 0.10 -3.88 120.51 127.12 1nju n ALA 1073Ca -0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 1nju n ALA 1073Cb 0.50 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 1nju n ALA 1073CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nju s ALA 1074N -3.31 -0.43 -0.06 0.00 0.00 0.49 -3.61 121.76 114.85 1nju s ALA 1074Ca -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1nju s ALA 1074Cb 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1nju s ALA 1074CO 0.81 -0.14 0.12 -1.64 0.00 0.00 0.00 175.76 174.90 1nju s MET 1075N -0.55 0.04 -0.18 0.00 1.00 -1.26 -0.80 119.30 117.56 1nju s MET 1075Ca -0.06 0.36 -0.09 0.00 0.00 0.00 0.00 55.69 55.89 1nju s MET 1075Cb -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 34.83 34.63 1nju s MET 1075CO 0.01 -0.19 0.43 -1.14 0.00 0.00 0.00 175.02 174.12 1nju s GLN 1076N 1.36 0.40 -0.06 2.03 0.74 0.10 -4.96 119.66 119.27 1nju s GLN 1076Ca -0.07 0.86 -0.29 0.00 0.05 0.00 0.00 55.36 55.91 1nju s GLN 1076Cb -0.12 0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 1nju s GLN 1076CO -0.05 -0.17 0.97 0.45 -0.55 0.00 0.00 175.29 175.93 1nju s SER 1077N 1.63 7.27 0.47 6.67 0.15 -1.26 -0.99 113.70 127.64 1nju s SER 1077Ca -0.08 1.55 0.02 0.00 0.70 0.00 0.00 55.95 58.14 1nju s SER 1077Cb -0.09 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1nju s SER 1077CO -0.13 -0.34 0.07 0.68 1.20 0.00 0.00 173.24 174.72 1nju s VAL 1078N 1.50 0.78 0.28 4.45 -7.23 -0.03 -4.97 120.40 115.18 1nju s VAL 1078Ca 0.49 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1nju s VAL 1078Cb -0.19 -2.16 0.29 0.00 0.56 0.00 0.00 36.38 34.87 1nju s VAL 1078CO 0.22 0.00 1.66 -0.09 -0.31 0.00 0.00 175.10 176.58 1nju h ARG 1079N 1.51 0.24 -0.01 4.82 9.65 -1.96 -2.76 114.38 125.88 1nju h ARG 1079Ca -0.39 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1nju h ARG 1079Cb 1.30 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1nju h ARG 1079CO 0.64 0.16 -0.68 -0.25 2.80 0.00 0.00 179.97 182.64 1nju n ASP 1080N -5.18 1.56 0.00 -3.80 10.43 -1.26 -4.90 116.55 113.40 1nju n ASP 1080Ca 0.20 -1.27 0.00 0.00 2.57 0.00 0.00 54.79 56.29 1nju n ASP 1080Cb 0.63 0.67 0.00 0.00 1.84 0.00 0.00 41.12 44.26 1nju n ASP 1080CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nju n GLY 1081N 1.45 -1.77 3.64 0.44 0.00 -1.04 -0.38 105.19 107.53 1nju n GLY 1081Ca 0.07 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1nju n GLY 1081CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nju s LEU 1082N 0.00 4.09 -0.04 0.99 2.96 -0.35 -0.85 118.68 125.48 1nju s LEU 1082Ca 0.00 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1nju s LEU 1082Cb 0.00 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 1nju s LEU 1082CO 0.00 -0.40 -0.07 0.12 -1.32 0.00 0.00 176.35 174.69 1nju s PHE 1083N 2.48 2.93 0.10 5.38 2.19 -0.16 0.54 117.98 131.44 1nju s PHE 1083Ca 0.30 0.01 0.04 0.00 0.33 0.00 0.00 56.93 57.60 1nju s PHE 1083Cb -0.16 -1.68 -0.04 0.00 -1.31 0.00 0.00 43.02 39.84 1nju s PHE 1083CO 0.09 0.35 -0.11 0.00 1.83 0.00 0.00 175.22 177.38 1nju s LEU 1085N -2.42 0.57 0.44 0.00 1.98 0.02 -1.93 118.68 117.33 1nju s LEU 1085Ca 0.06 -0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.13 1nju s LEU 1085Cb -0.03 -0.39 -0.02 0.00 0.66 0.00 0.00 46.19 46.41 1nju s LEU 1085CO 0.01 -0.23 0.13 -0.83 -1.89 0.00 0.00 176.35 173.53 1nju s GLY 1086N 2.01 2.76 -0.02 7.98 0.00 0.18 -0.38 107.32 119.85 1nju s GLY 1086Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1nju s GLY 1086CO -0.06 -1.87 0.03 0.00 0.00 0.00 0.00 173.10 171.20 1nju s VAL 1088N 1.03 4.81 0.00 0.00 1.01 0.21 -2.52 120.40 124.94 1nju s VAL 1088Ca -0.09 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1nju s VAL 1088Cb -0.12 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1nju s VAL 1088CO -0.03 -0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.31 1nju n THR 1089N 5.31 0.00 -1.44 3.92 -2.24 -0.13 -1.59 114.28 118.11 1nju n THR 1089Ca 0.06 0.00 -0.63 0.00 -2.27 0.00 0.00 64.05 61.21 1nju n THR 1089Cb 0.47 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.87 1nju n THR 1089CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nju n SER 1090N -1.92 0.97 0.18 3.42 2.88 0.40 -4.81 113.62 114.74 1nju n SER 1090Ca 0.00 0.87 0.02 0.00 -1.33 0.00 0.00 58.87 58.43 1nju n SER 1090Cb 0.42 -0.90 0.35 0.00 -0.75 0.00 0.00 64.21 63.33 1nju n SER 1090CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1nju h PRO 1091N 7.55 0.00 -0.26 -1.46 0.13 -1.91 -1.73 132.00 134.31 1nju h PRO 1091Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 1nju h PRO 1091Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1nju h PRO 1091CO 1.05 0.38 0.00 -0.09 -0.23 0.00 0.00 178.00 179.11 1nju h ARG 1092N 0.00 0.45 0.37 0.86 2.43 -1.95 0.65 114.38 117.20 1nju h ARG 1092Ca -0.00 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1nju h ARG 1092Cb 0.68 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1nju h ARG 1092CO 0.05 0.62 -0.18 0.35 -1.51 0.00 0.00 179.97 179.30 1nju h PHE 1093N 0.24 -0.46 -0.96 2.20 3.57 -1.90 -2.21 116.94 117.41 1nju h PHE 1093Ca 0.07 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1nju h PHE 1093Cb 0.41 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1nju h PHE 1093CO 0.03 -0.15 0.61 -0.07 -2.23 0.00 0.00 178.31 176.50 1nju h LEU 1094N -0.78 0.76 -0.59 0.59 3.38 -1.31 0.16 115.31 117.53 1nju h LEU 1094Ca -0.05 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1nju h LEU 1094Cb 0.52 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1nju h LEU 1094CO 0.08 0.36 -0.13 -0.08 0.09 0.00 0.00 178.44 178.77 1nju h GLU 1095N 0.80 0.98 0.31 1.13 4.57 -0.81 0.14 114.58 121.70 1nju h GLU 1095Ca 0.50 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1nju h GLU 1095Cb 0.71 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1nju h GLU 1095CO -0.26 1.04 -0.15 0.82 -1.18 0.00 0.00 179.01 179.28 1nju h ILE 1096N 0.87 0.71 -0.98 2.32 2.04 -0.48 -2.15 117.51 119.83 1nju h ILE 1096Ca 0.13 -0.26 0.15 0.00 1.00 0.00 0.00 64.86 65.88 1nju h ILE 1096Cb 0.69 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 1nju h ILE 1096CO 0.05 0.05 0.60 0.58 0.00 0.00 0.00 178.15 179.43 1nju h VAL 1097N -0.56 0.82 -0.52 1.67 2.07 -0.61 -0.76 116.25 118.36 1nju h VAL 1097Ca -0.04 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1nju h VAL 1097Cb 0.41 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1nju h VAL 1097CO 0.07 0.16 0.21 -0.09 0.02 0.00 0.00 177.57 177.94 1nju h ARG 1098N 0.86 0.78 -0.17 1.57 1.12 -0.53 -0.92 114.38 117.09 1nju h ARG 1098Ca 0.52 -0.14 -0.02 0.00 -1.11 0.00 0.00 59.98 59.23 1nju h ARG 1098Cb 0.66 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1nju h ARG 1098CO -0.32 0.68 0.01 0.00 -3.11 0.00 0.00 179.97 177.24 1nju h ARG 1099N 0.70 0.29 -0.57 0.20 2.47 -0.56 -3.13 114.38 113.77 1nju h ARG 1099Ca 0.17 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1nju h ARG 1099Cb 0.19 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1nju h ARG 1099CO -0.01 0.48 0.26 0.00 0.56 0.00 0.00 179.97 181.26 1nju h ALA 1100N 0.79 0.74 -0.95 0.04 0.00 -1.10 -2.71 119.26 116.08 1nju h ALA 1100Ca 0.05 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1nju h ALA 1100Cb 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1nju h ALA 1100CO 0.01 0.32 0.62 0.66 0.00 0.00 0.00 179.25 180.86 1nju h SER 1101N 0.77 0.40 0.33 0.00 4.64 -1.12 0.52 113.55 119.10 1nju h SER 1101Ca 0.19 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1nju h SER 1101Cb 0.15 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1nju h SER 1101CO -0.02 0.14 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.69 1nju h GLU 1102N 0.39 0.00 -0.50 4.77 4.39 -1.44 -2.49 114.58 119.69 1nju h GLU 1102Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1nju h GLU 1102Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1nju h GLU 1102CO -0.20 0.06 0.00 1.63 -1.16 0.00 0.00 179.01 179.34 1nju n LYS 1103N -3.48 3.88 -3.79 2.33 4.76 0.18 -4.90 118.16 117.14 1nju n LYS 1103Ca -0.02 -2.92 -0.37 0.00 -2.87 0.00 0.00 58.31 52.14 1nju n LYS 1103Cb 0.19 -1.97 -0.13 0.00 -1.84 0.00 0.00 35.03 31.29 1nju n LYS 1103CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nju s SER 1104N -1.14 4.99 0.54 4.39 0.15 -0.94 -4.96 113.70 116.72 1nju s SER 1104Ca 0.48 -0.56 0.29 0.00 0.70 0.00 0.00 55.95 56.86 1nju s SER 1104Cb 0.35 -1.86 1.52 0.00 -1.71 0.00 0.00 66.02 64.32 1nju s SER 1104CO 0.17 -0.13 2.09 -0.33 1.20 0.00 0.00 173.24 176.24 1nju h GLU 1105N 8.21 0.00 -0.31 5.44 5.08 -1.90 -2.07 114.58 129.03 1nju h GLU 1105Ca -0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1nju h GLU 1105Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1nju h GLU 1105CO 0.60 0.10 0.08 1.25 -1.00 0.00 0.00 179.01 180.04 1nju h LEU 1106N 0.00 0.46 -1.41 1.33 5.85 -1.94 -2.75 115.31 116.84 1nju h LEU 1106Ca -0.00 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1nju h LEU 1106Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1nju h LEU 1106CO 0.01 0.56 -0.11 0.58 -0.34 0.00 0.00 178.44 179.15 1nju h VAL 1107N 0.34 1.17 -0.49 1.05 2.07 -1.68 -2.82 116.25 115.89 1nju h VAL 1107Ca 0.10 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1nju h VAL 1107Cb 0.28 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1nju h VAL 1107CO -0.00 0.23 0.06 0.28 0.02 0.00 0.00 177.57 178.16 1nju h SER 1108N 0.24 0.80 -0.02 0.57 0.02 -1.19 -1.80 113.55 112.17 1nju h SER 1108Ca 0.05 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1nju h SER 1108Cb 0.35 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1nju h SER 1108CO 0.02 0.87 0.22 0.03 -1.14 0.00 0.00 176.83 176.84 1nju h ARG 1109N 0.70 0.00 0.00 3.45 3.08 -1.22 -3.47 114.38 116.92 1nju h ARG 1109Ca 0.15 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.36 1nju h ARG 1109Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1nju h ARG 1109CO 0.01 0.00 -0.22 0.41 -1.07 0.00 0.00 179.97 179.10 1nju n GLY 1110N -1.19 -1.95 2.66 0.04 0.00 -0.68 -4.97 105.19 99.10 1nju n GLY 1110Ca -0.02 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1nju n GLY 1110CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nju n PRO 1111N -2.38 -1.12 -2.45 1.61 -0.04 -1.26 -4.98 135.00 124.39 1nju n PRO 1111Ca 0.00 -1.41 -0.31 0.00 -0.04 0.00 0.00 63.50 61.74 1nju n PRO 1111Cb 0.28 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1nju n PRO 1111CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1nju s VAL 1112N -2.95 4.62 0.00 0.52 -7.23 -1.26 -4.92 120.40 109.18 1nju s VAL 1112Ca 0.52 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.71 1nju s VAL 1112Cb -0.02 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1nju s VAL 1112CO 0.37 -0.71 0.00 -0.24 -0.31 0.00 0.00 175.10 174.22 1nju n SER 1113N -1.66 0.00 0.00 4.85 2.88 -1.26 -1.38 113.62 117.05 1nju n SER 1113Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1nju n SER 1113Cb 0.54 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.88 1nju n SER 1113CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nju n PRO 1114N 0.00 0.42 -2.04 -1.46 -0.04 -1.26 -4.99 135.00 125.63 1nju n PRO 1114Ca 0.00 -0.10 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 1nju n PRO 1114Cb 0.00 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1nju n PRO 1114CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nju s LEU 1115N -4.05 3.81 0.14 1.53 1.43 -0.48 -5.00 118.68 116.05 1nju s LEU 1115Ca -0.01 2.45 -0.24 0.00 -1.03 0.00 0.00 54.13 55.29 1nju s LEU 1115Cb 0.14 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 1nju s LEU 1115CO 0.88 -1.39 0.74 0.00 0.23 0.00 0.00 176.35 176.80 1nju s GLN 1116N -3.06 4.50 0.44 1.70 -2.07 -1.26 -4.76 119.66 115.15 1nju s GLN 1116Ca 0.72 1.07 -0.24 0.00 -1.82 0.00 0.00 55.36 55.09 1nju s GLN 1116Cb -0.32 -3.26 -0.10 0.00 -1.09 0.00 0.00 33.01 28.24 1nju s GLN 1116CO 0.37 0.57 1.09 -0.35 -1.32 0.00 0.00 175.29 175.64 1nju n PRO 1117N 1.68 1.48 -3.29 9.60 -0.04 -1.26 -4.88 135.00 138.28 1nju n PRO 1117Ca -0.06 0.53 -0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1nju n PRO 1117Cb 0.49 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 1nju n PRO 1117CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1nju s ASP 1118N -0.73 0.28 0.05 3.54 -1.08 -1.26 -5.07 116.67 112.41 1nju s ASP 1118Ca 0.64 -1.42 -0.11 0.00 -0.52 0.00 0.00 52.55 51.14 1nju s ASP 1118Cb -0.53 0.99 -0.03 0.00 -1.46 0.00 0.00 42.92 41.89 1nju s ASP 1118CO 0.56 -0.22 1.19 0.11 0.52 0.00 0.00 175.17 177.33 1nju h LYS 1119N 6.90 -0.04 -0.20 4.34 1.79 -1.93 0.54 116.57 127.97 1nju h LYS 1119Ca 0.06 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1nju h LYS 1119Cb 1.09 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.68 1nju h LYS 1119CO 0.17 -0.03 -0.25 0.28 -1.08 0.00 0.00 179.45 178.54 1nju h VAL 1120N -0.04 0.38 -0.97 0.50 2.07 -1.87 0.35 116.25 116.68 1nju h VAL 1120Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1nju h VAL 1120Cb 0.16 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1nju h VAL 1120CO -0.29 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.51 1nju h VAL 1121N -0.29 1.20 -0.31 2.57 2.07 -1.84 -2.32 116.25 117.34 1nju h VAL 1121Ca 0.12 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1nju h VAL 1121Cb 0.47 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1nju h VAL 1121CO -0.36 0.23 -0.15 -0.33 0.02 0.00 0.00 177.57 176.98 1nju h GLU 1122N 1.26 0.64 -0.63 1.57 5.08 -0.34 -1.10 114.58 121.05 1nju h GLU 1122Ca 0.37 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1nju h GLU 1122Cb -0.07 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1nju h GLU 1122CO -0.10 0.87 0.34 0.35 -1.00 0.00 0.00 179.01 179.46 1nju h PHE 1123N 0.40 0.61 -0.48 4.33 3.57 -0.69 -0.99 116.94 123.69 1nju h PHE 1123Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1nju h PHE 1123Cb 0.68 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1nju h PHE 1123CO 0.06 0.28 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.28 1nju h LEU 1124N 0.62 0.82 -1.17 0.59 3.38 -1.31 0.19 115.31 118.44 1nju h LEU 1124Ca 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1nju h LEU 1124Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nju h LEU 1124CO -0.19 0.93 0.10 0.28 0.09 0.00 0.00 178.44 179.65 1nju h SER 1125N 0.77 0.63 0.07 -0.43 0.02 -0.19 -1.23 113.55 113.18 1nju h SER 1125Ca 0.13 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 1nju h SER 1125Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1nju h SER 1125CO 0.03 0.63 -1.04 1.23 -1.14 0.00 0.00 176.83 176.55 1nju h GLY 1126N 0.88 0.17 0.90 -3.77 0.00 -0.89 -3.24 103.07 97.11 1nju h GLY 1126Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1nju h GLY 1126CO -0.00 0.38 -0.19 0.23 0.00 0.00 0.00 176.54 176.96 1nju h SER 1127N -0.60 0.62 -2.28 0.19 0.87 -1.01 -3.35 113.55 108.00 1nju h SER 1127Ca -0.24 -0.44 -0.61 0.00 -1.23 0.00 0.00 61.79 59.28 1nju h SER 1127Cb 1.50 -0.17 -0.41 0.00 -0.44 0.00 0.00 62.40 62.87 1nju h SER 1127CO -0.00 0.93 -0.52 -1.22 -0.53 0.00 0.00 176.83 175.49 1nju n TYR 1128N -4.39 3.91 0.17 2.24 4.02 -0.47 -3.98 117.16 118.66 1nju n TYR 1128Ca -0.04 -3.93 0.02 0.00 -0.01 0.00 0.00 57.90 53.94 1nju n TYR 1128Cb 0.40 -0.55 0.10 0.00 -0.02 0.00 0.00 39.34 39.27 1nju n TYR 1128CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nju n ALA 1129N -0.04 1.26 -2.33 -0.72 0.00 -1.02 -4.43 120.51 113.24 1nju n ALA 1129Ca 0.32 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 1nju n ALA 1129Cb 0.39 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 1nju n ALA 1129CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nju s GLY 1130N -2.86 1.45 0.01 0.00 0.00 0.11 -0.11 107.32 105.92 1nju s GLY 1130Ca 0.03 -1.69 0.06 0.00 0.00 0.00 0.00 44.72 43.12 1nju s GLY 1130CO 0.08 -1.70 -0.18 1.08 0.00 0.00 0.00 173.10 172.37 1nju s LEU 1131N -3.30 2.59 -0.05 0.66 1.43 0.71 -0.13 118.68 120.59 1nju s LEU 1131Ca 0.24 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1nju s LEU 1131Cb 0.03 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1nju s LEU 1131CO 0.07 0.28 0.06 -0.55 0.23 0.00 0.00 176.35 176.43 1nju s SER 1132N -1.20 1.21 0.63 2.29 0.15 -0.36 -4.26 113.70 112.17 1nju s SER 1132Ca 0.13 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.71 1nju s SER 1132Cb -0.10 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1nju s SER 1132CO 0.04 -0.25 1.04 -0.22 1.20 0.00 0.00 173.24 175.05 1nju s LEU 1133N 2.15 3.27 -0.37 3.45 2.96 -1.26 -0.69 118.68 128.18 1nju s LEU 1133Ca 0.05 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 1nju s LEU 1133Cb -0.12 -4.49 0.12 0.00 0.50 0.00 0.00 46.19 42.20 1nju s LEU 1133CO -0.03 -1.06 0.16 -0.55 -1.32 0.00 0.00 176.35 173.54 1nju s SER 1134N -3.79 3.94 0.37 3.68 0.15 -0.24 -4.89 113.70 112.91 1nju s SER 1134Ca 0.57 -2.14 0.09 0.00 0.70 0.00 0.00 55.95 55.16 1nju s SER 1134Cb -0.12 -1.02 -0.07 0.00 -1.71 0.00 0.00 66.02 63.10 1nju s SER 1134CO 0.50 -0.34 -0.03 -0.94 1.20 0.00 0.00 173.24 173.63 1nju s SER 1135N 0.96 3.89 0.15 5.45 1.04 -1.26 0.39 113.70 124.33 1nju s SER 1135Ca 0.13 -1.20 -0.31 0.00 0.48 0.00 0.00 55.95 55.05 1nju s SER 1135Cb -0.21 -0.40 -0.09 0.00 0.10 0.00 0.00 66.02 65.42 1nju s SER 1135CO -0.12 -0.30 1.51 0.00 0.98 0.00 0.00 173.24 175.32 1nju s ARG 1136N -3.67 4.25 -0.72 4.02 1.70 -0.29 -4.81 118.95 119.43 1nju s ARG 1136Ca 0.34 2.27 -0.36 0.00 -0.47 0.00 0.00 55.73 57.51 1nju s ARG 1136Cb 0.04 -3.18 -0.19 0.00 -0.57 0.00 0.00 34.95 31.05 1nju s ARG 1136CO 0.18 -0.55 2.43 -2.13 -1.08 0.00 0.00 175.30 174.14 1nju n ARG 1137N 3.94 0.15 -1.87 3.89 0.63 -1.26 -4.73 116.66 117.41 1nju n ARG 1137Ca 0.13 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 56.87 1nju n ARG 1137Cb 0.40 -1.69 -0.07 0.00 0.45 0.00 0.00 32.46 31.55 1nju n ARG 1137CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nju s ASP 1139N 8.57 6.91 0.00 0.00 -1.08 -1.26 -4.90 116.67 124.91 1nju s ASP 1139Ca 0.77 2.21 0.21 0.00 -0.52 0.00 0.00 52.55 55.22 1nju s ASP 1139Cb -0.07 -2.58 0.34 0.00 -1.46 0.00 0.00 42.92 39.15 1nju s ASP 1139CO 0.06 -0.60 1.13 0.47 0.52 0.00 0.00 175.17 176.76 1nju n ASP 1140N 4.02 0.63 0.00 -0.34 10.43 -1.26 -5.23 116.55 124.81 1nju n ASP 1140Ca 0.11 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.48 1nju n ASP 1140Cb 0.44 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.20 1nju n ASP 1140CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1nju n THR 1152N 0.40 0.00 -2.05 -3.53 -2.24 -1.26 -5.24 114.28 100.36 1nju n THR 1152Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1nju n THR 1152Cb 1.06 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1nju n THR 1152CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nju s THR 1153N 0.00 2.67 0.14 4.28 -4.23 -1.26 -4.96 115.64 112.28 1nju s THR 1153Ca 0.00 0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 1nju s THR 1153Cb 0.00 -3.23 -0.00 0.00 1.34 0.00 0.00 72.50 70.60 1nju s THR 1153CO 0.00 -0.03 1.79 1.55 -0.54 0.00 0.00 174.62 177.39 1nju h PRO 1154N 1.61 0.50 -5.06 3.99 0.13 -1.89 -3.40 132.00 127.87 1nju h PRO 1154Ca -0.50 -0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 63.91 1nju h PRO 1154Cb 1.28 -0.11 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 1nju h PRO 1154CO 0.58 0.35 0.02 -0.06 -0.23 0.00 0.00 178.00 178.66 1nju s PHE 1155N -6.06 3.08 -0.07 1.56 0.08 -1.26 -1.14 117.98 114.16 1nju s PHE 1155Ca -0.13 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.31 1nju s PHE 1155Cb 0.10 -3.36 -0.18 0.00 -0.57 0.00 0.00 43.02 39.01 1nju s PHE 1155CO 0.72 -0.93 0.87 0.87 -0.10 0.00 0.00 175.22 176.65 1nju h LYS 1156N 8.91 -0.09 -2.03 0.44 1.57 -0.28 -3.49 116.57 121.60 1nju h LYS 1156Ca -0.27 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 58.77 1nju h LYS 1156Cb 1.10 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.35 1nju h LYS 1156CO 0.91 0.48 0.70 -3.38 -0.57 0.00 0.00 179.45 177.59 1nju s HIS 1157N -3.13 -0.03 -0.07 -1.35 -3.43 -1.13 -4.49 115.29 101.66 1nju s HIS 1157Ca -0.14 -0.20 0.04 0.00 -0.80 0.00 0.00 55.06 53.96 1nju s HIS 1157Cb -0.00 0.61 -0.02 0.00 -1.43 0.00 0.00 32.58 31.74 1nju s HIS 1157CO 0.54 -0.57 -0.19 0.08 -2.00 0.00 0.00 174.74 172.61 1nju s VAL 1158N -2.53 2.64 -0.07 -5.38 1.01 -0.90 -1.07 120.40 114.10 1nju s VAL 1158Ca 0.18 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1nju s VAL 1158Cb 0.01 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1nju s VAL 1158CO 0.00 0.57 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 1nju s ALA 1159N -0.30 2.21 -0.01 5.51 0.00 0.13 -1.70 121.76 127.60 1nju s ALA 1159Ca 0.02 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1nju s ALA 1159Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1nju s ALA 1159CO 0.03 0.39 0.81 -0.51 0.00 0.00 0.00 175.76 176.48 1nju s LEU 1160N -0.08 4.38 0.25 0.00 1.43 0.80 -1.23 118.68 124.23 1nju s LEU 1160Ca -0.06 1.42 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1nju s LEU 1160Cb -0.14 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1nju s LEU 1160CO 0.05 -0.12 0.31 0.00 0.23 0.00 0.00 176.35 176.81 1nju h SER 1162N 2.38 0.68 -3.18 0.00 4.64 -1.83 0.34 113.55 116.59 1nju h SER 1162Ca -0.31 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1nju h SER 1162Cb 1.25 -0.18 -0.25 0.00 -0.31 0.00 0.00 62.40 62.90 1nju h SER 1162CO 0.44 0.66 0.38 0.54 -0.87 0.00 0.00 176.83 177.98 1nju s VAL 1163N -5.23 0.00 0.69 0.95 0.11 -1.26 -3.52 120.40 112.14 1nju s VAL 1163Ca -0.09 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 1nju s VAL 1163Cb 0.16 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1nju s VAL 1163CO 0.78 0.00 1.07 -0.83 -3.33 0.00 0.00 175.10 172.79 1nju s GLY 1164N 0.50 1.64 0.20 6.54 0.00 -1.26 -4.89 107.32 110.04 1nju s GLY 1164Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 44.72 44.69 1nju s GLY 1164CO -0.07 0.15 1.22 3.21 0.00 0.00 0.00 173.10 177.61 1nju h ARG 1165N -0.62 0.00 -5.25 2.90 3.08 -1.98 -3.43 114.38 109.08 1nju h ARG 1165Ca -0.45 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.99 1nju h ARG 1165Cb 1.23 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.15 1nju h ARG 1165CO 0.62 0.44 -0.35 1.03 -1.07 0.00 0.00 179.97 180.63 1nju s ARG 1166N -2.95 4.12 0.44 0.04 0.52 -1.26 -4.87 118.95 114.99 1nju s ARG 1166Ca 0.01 -0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 54.95 1nju s ARG 1166Cb 0.08 -3.54 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 1nju s ARG 1166CO 0.77 0.01 1.21 1.03 0.02 0.00 0.00 175.30 178.34 1nju s ARG 1167N 1.20 3.83 0.00 3.54 1.81 -1.26 -3.28 118.95 124.79 1nju s ARG 1167Ca 0.13 1.91 0.00 0.00 -1.72 0.00 0.00 55.73 56.06 1nju s ARG 1167Cb -0.14 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1nju s ARG 1167CO 0.06 -0.53 0.00 0.41 -0.68 0.00 0.00 175.30 174.56 1nju n GLY 1168N 0.58 0.58 2.23 -3.53 0.00 -1.26 -4.41 105.19 99.37 1nju n GLY 1168Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1nju n GLY 1168CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nju n THR 1169N -2.00 3.11 -2.25 2.61 -2.24 -1.21 -4.29 114.28 108.01 1nju n THR 1169Ca 0.00 -2.42 -0.42 0.00 -2.27 0.00 0.00 64.05 58.94 1nju n THR 1169Cb 0.00 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 66.75 1nju n THR 1169CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1nju s LEU 1170N -2.15 4.39 -0.21 3.22 2.96 -1.26 -0.21 118.68 125.43 1nju s LEU 1170Ca 0.47 2.29 -0.19 0.00 -0.22 0.00 0.00 54.13 56.47 1nju s LEU 1170Cb 0.33 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1nju s LEU 1170CO -0.12 -0.55 0.57 0.00 -1.32 0.00 0.00 176.35 174.93 1nju s ALA 1171N 0.66 3.55 -0.28 5.97 0.00 0.84 -4.41 121.76 128.09 1nju s ALA 1171Ca 0.60 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 1nju s ALA 1171Cb -0.35 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1nju s ALA 1171CO 0.33 -0.53 0.04 0.08 0.00 0.00 0.00 175.76 175.68 1nju s VAL 1172N 1.84 3.68 0.13 0.00 1.01 0.22 -4.80 120.40 122.48 1nju s VAL 1172Ca 0.26 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1nju s VAL 1172Cb -0.16 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1nju s VAL 1172CO 0.10 0.12 0.34 -0.31 0.00 0.00 0.00 175.10 175.35 1nju s TYR 1173N 1.46 3.48 -0.17 5.22 2.02 -1.26 -0.97 117.35 127.13 1nju s TYR 1173Ca 0.02 0.48 -0.33 0.00 -0.37 0.00 0.00 57.07 56.87 1nju s TYR 1173Cb -0.17 -1.95 0.14 0.00 -0.40 0.00 0.00 41.96 39.58 1nju s TYR 1173CO 0.01 0.46 1.15 0.20 -1.57 0.00 0.00 175.55 175.80 1nju s GLY 1174N -2.48 -0.28 0.40 0.71 0.00 0.12 -4.70 107.32 101.11 1nju s GLY 1174Ca 0.40 1.69 0.22 0.00 0.00 0.00 0.00 44.72 47.03 1nju s GLY 1174CO 0.26 0.62 1.63 3.21 0.00 0.00 0.00 173.10 178.82 1nju h ARG 1175N 2.07 0.00 -5.08 2.90 2.47 -1.87 0.29 114.38 115.17 1nju h ARG 1175Ca -0.12 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.93 1nju h ARG 1175Cb 1.18 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 29.15 1nju h ARG 1175CO 0.25 0.19 -0.86 0.34 0.56 0.00 0.00 179.97 180.45 1nju s ASP 1176N -6.23 3.18 0.22 7.04 -1.08 -1.26 -4.67 116.67 113.88 1nju s ASP 1176Ca 0.04 -0.63 -0.08 0.00 -0.52 0.00 0.00 52.55 51.36 1nju s ASP 1176Cb 0.07 -1.49 0.33 0.00 -1.46 0.00 0.00 42.92 40.37 1nju s ASP 1176CO 0.67 0.01 1.72 -0.65 0.52 0.00 0.00 175.17 177.45 1nju h PRO 1177N 7.84 0.34 -0.98 4.34 0.11 -1.95 0.24 132.00 141.93 1nju h PRO 1177Ca -0.43 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1nju h PRO 1177Cb 1.15 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1nju h PRO 1177CO 0.62 0.22 0.65 0.93 -0.21 0.00 0.00 178.00 180.21 1nju h GLU 1178N 0.35 1.23 0.14 1.05 4.39 -1.99 -0.74 114.58 119.02 1nju h GLU 1178Ca 0.34 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1nju h GLU 1178Cb 0.48 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1nju h GLU 1178CO -0.37 0.81 -0.07 2.35 -1.16 0.00 0.00 179.01 180.57 1nju h TRP 1179N 1.27 -0.18 -0.95 4.33 7.01 -1.46 -1.45 115.95 124.51 1nju h TRP 1179Ca 0.38 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.47 1nju h TRP 1179Cb -0.04 0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 27.01 1nju h TRP 1179CO -0.00 0.03 0.59 0.28 -2.79 0.00 0.00 178.44 176.55 1nju h VAL 1180N -0.37 0.98 -0.42 2.65 2.07 -0.68 -0.68 116.25 119.80 1nju h VAL 1180Ca -0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1nju h VAL 1180Cb 0.29 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1nju h VAL 1180CO 0.03 0.18 0.08 0.74 0.02 0.00 0.00 177.57 178.63 1nju h THR 1181N 1.01 1.20 0.00 2.57 2.02 -0.86 -2.34 112.91 116.50 1nju h THR 1181Ca 0.45 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1nju h THR 1181Cb 0.34 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1nju h THR 1181CO -0.23 0.26 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1nju n GLN 1182N -4.30 0.05 0.18 6.66 1.13 -0.27 -2.34 117.38 118.49 1nju n GLN 1182Ca 0.03 0.27 0.06 0.00 -1.94 0.00 0.00 57.00 55.41 1nju n GLN 1182Cb 0.22 -1.50 0.19 0.00 0.11 0.00 0.00 30.24 29.25 1nju n GLN 1182CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nju h ARG 1183N 0.00 0.00 -4.50 -1.09 2.47 -1.35 -3.42 114.38 106.49 1nju h ARG 1183Ca 0.00 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 58.00 1nju h ARG 1183Cb 0.16 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 28.27 1nju h ARG 1183CO 0.00 0.35 -0.04 -0.06 0.56 0.00 0.00 179.97 180.78 1nju s PHE 1184N -3.23 3.11 0.28 3.04 0.40 -0.99 -4.26 117.98 116.33 1nju s PHE 1184Ca 0.03 -1.00 0.01 0.00 -0.60 0.00 0.00 56.93 55.37 1nju s PHE 1184Cb 0.08 -3.80 0.57 0.00 0.51 0.00 0.00 43.02 40.38 1nju s PHE 1184CO 0.70 -1.12 1.80 -1.00 0.70 0.00 0.00 175.22 176.30 1nju h PRO 1185N 9.03 0.82 -0.99 0.24 0.13 -1.82 -2.48 132.00 136.94 1nju h PRO 1185Ca -0.29 -0.05 0.21 0.00 -0.87 0.00 0.00 66.00 65.00 1nju h PRO 1185Cb 1.09 -0.19 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 1nju h PRO 1185CO 1.04 0.54 0.62 -0.44 -0.23 0.00 0.00 178.00 179.54 1nju h ASP 1186N 0.85 0.60 -4.24 1.44 3.32 -1.93 -3.42 116.42 113.04 1nju h ASP 1186Ca 0.49 0.08 -0.52 0.00 0.02 0.00 0.00 57.03 57.10 1nju h ASP 1186Cb 0.59 -0.03 0.15 0.00 0.22 0.00 0.00 39.33 40.26 1nju h ASP 1186CO -0.31 0.19 0.33 -0.76 -1.72 0.00 0.00 179.24 176.98 1nju s LEU 1187N -9.90 3.15 0.21 1.55 1.43 -0.94 -4.97 118.68 109.21 1nju s LEU 1187Ca -0.10 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1nju s LEU 1187Cb 0.24 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 1nju s LEU 1187CO 0.80 -2.29 -0.15 0.42 0.23 0.00 0.00 176.35 175.36 1nju s THR 1188N -2.44 1.79 0.59 5.49 -4.23 -1.26 -4.98 115.64 110.60 1nju s THR 1188Ca 0.68 -2.20 0.29 0.00 -1.18 0.00 0.00 61.69 59.28 1nju s THR 1188Cb -0.23 -2.04 0.37 0.00 1.34 0.00 0.00 72.50 71.94 1nju s THR 1188CO 0.50 -0.56 1.98 0.00 -0.54 0.00 0.00 174.62 176.00 1nju h ALA 1189N 2.60 2.01 -0.03 3.99 0.00 -1.97 0.65 119.26 126.51 1nju h ALA 1189Ca -0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1nju h ALA 1189Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nju h ALA 1189CO 0.61 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 1nju h ALA 1190N 1.59 0.05 -0.45 0.00 0.00 -2.00 -1.85 119.26 116.60 1nju h ALA 1190Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nju h ALA 1190Cb 0.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1nju h ALA 1190CO -0.00 -0.10 0.21 -0.44 0.00 0.00 0.00 179.25 178.92 1nju h ASP 1191N -0.42 0.59 -0.19 0.00 3.45 -1.00 -2.09 116.42 116.76 1nju h ASP 1191Ca 0.00 -0.13 0.05 0.00 0.43 0.00 0.00 57.03 57.38 1nju h ASP 1191Cb 0.65 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1nju h ASP 1191CO 0.02 0.56 0.16 0.03 -1.57 0.00 0.00 179.24 178.44 1nju h ARG 1192N 0.59 0.00 -0.09 3.56 3.08 0.15 -2.05 114.38 119.62 1nju h ARG 1192Ca 0.15 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 1nju h ARG 1192Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1nju h ARG 1192CO -0.02 0.00 -0.56 -0.44 -1.07 0.00 0.00 179.97 177.88 1nju h ASP 1193N 0.00 0.64 -0.73 7.04 3.32 -0.62 0.54 116.42 126.61 1nju h ASP 1193Ca 0.09 -0.66 0.05 0.00 0.02 0.00 0.00 57.03 56.53 1nju h ASP 1193Cb 0.41 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1nju h ASP 1193CO -0.00 1.20 0.48 1.23 -1.72 0.00 0.00 179.24 180.43 1nju h GLY 1194N 0.12 0.98 0.20 2.75 0.00 -1.17 0.12 103.07 106.07 1nju h GLY 1194Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1nju h GLY 1194CO 0.11 0.25 -0.01 1.41 0.00 0.00 0.00 176.54 178.30 1nju h LEU 1195N 0.81 -0.03 -1.82 3.11 3.38 -1.40 -3.19 115.31 116.17 1nju h LEU 1195Ca 0.30 -0.68 0.23 0.00 0.09 0.00 0.00 57.88 57.82 1nju h LEU 1195Cb 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1nju h LEU 1195CO -0.10 0.72 0.60 -0.09 0.09 0.00 0.00 178.44 179.66 1nju h ARG 1196N -0.84 0.15 0.00 1.13 2.43 0.61 0.80 114.38 118.65 1nju h ARG 1196Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1nju h ARG 1196Cb 0.71 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nju h ARG 1196CO 0.01 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.56 1nju n ALA 1197N -2.63 2.07 -0.10 2.80 0.00 0.38 -4.07 120.51 118.96 1nju n ALA 1197Ca 0.18 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1nju n ALA 1197Cb 0.82 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1nju n ALA 1197CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nju n GLN 1198N -2.29 0.49 -0.10 0.00 6.02 0.26 -4.67 117.38 117.09 1nju n GLN 1198Ca 0.04 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1nju n GLN 1198Cb 0.37 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1nju n GLN 1198CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1nju n TRP 1199N -3.30 0.00 -2.08 1.08 4.27 -0.18 -4.71 117.44 112.51 1nju n TRP 1199Ca -0.37 -0.35 -0.38 0.00 -3.89 0.00 0.00 57.50 52.51 1nju n TRP 1199Cb 0.86 -0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 1nju n TRP 1199CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1nju n GLN 1200N 1.17 4.08 0.00 -2.67 1.13 -1.26 -5.02 117.38 114.82 1nju n GLN 1200Ca 0.00 -3.63 0.00 0.00 -1.94 0.00 0.00 57.00 51.43 1nju n GLN 1200Cb 0.25 -2.42 0.00 0.00 0.11 0.00 0.00 30.24 28.18 1nju n GLN 1200CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1nju n SER 1210N 0.57 0.00 0.00 1.08 2.88 -1.26 -5.12 113.62 111.77 1nju n SER 1210Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1nju n SER 1210Cb 0.31 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1nju n SER 1210CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nju n GLY 1211N -1.51 0.53 3.64 0.46 0.00 -1.26 -5.01 105.19 102.04 1nju n GLY 1211Ca 0.00 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 1nju n GLY 1211CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nju s ASP 1212N -4.00 6.88 0.51 1.61 3.68 -1.26 -4.92 116.67 119.17 1nju s ASP 1212Ca 0.00 1.07 0.30 0.00 2.13 0.00 0.00 52.55 56.05 1nju s ASP 1212Cb 0.00 -2.54 0.99 0.00 -1.45 0.00 0.00 42.92 39.92 1nju s ASP 1212CO 0.00 -0.92 1.85 1.55 0.13 0.00 0.00 175.17 177.77 1nju h PRO 1213N 8.34 0.00 -6.26 4.34 0.13 -1.95 -3.45 132.00 133.15 1nju h PRO 1213Ca -0.22 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.35 1nju h PRO 1213Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1nju h PRO 1213CO 1.04 0.00 1.17 0.12 -0.23 0.00 0.00 178.00 180.10 1nju s PHE 1214N -3.50 1.91 -0.25 1.56 2.19 -0.72 -4.29 117.98 114.87 1nju s PHE 1214Ca 0.03 0.40 0.10 0.00 0.33 0.00 0.00 56.93 57.78 1nju s PHE 1214Cb 0.08 -3.99 0.45 0.00 -1.31 0.00 0.00 43.02 38.24 1nju s PHE 1214CO 0.59 -3.44 1.29 0.54 1.83 0.00 0.00 175.22 176.03 1nju n ARG 1215N 7.68 1.93 -1.12 10.12 1.74 0.16 -4.96 116.66 132.20 1nju n ARG 1215Ca 0.20 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.89 1nju n ARG 1215Cb 0.44 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1nju n ARG 1215CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1nju n SER 1216N -1.07 1.83 -1.83 0.55 2.88 -1.07 -4.89 113.62 110.03 1nju n SER 1216Ca 0.27 -0.56 -0.05 0.00 -1.33 0.00 0.00 58.87 57.19 1nju n SER 1216Cb 0.82 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1nju n SER 1216CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nju n ASP 1217N -0.65 -0.76 -0.36 -3.46 5.75 -1.26 -4.99 116.55 110.81 1nju n ASP 1217Ca 0.00 -1.77 0.06 0.00 -0.01 0.00 0.00 54.79 53.07 1nju n ASP 1217Cb 0.00 1.34 0.22 0.00 -1.03 0.00 0.00 41.12 41.65 1nju n ASP 1217CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1nju h SER 1218N 0.86 0.97 -0.91 -1.12 4.64 -1.98 -0.22 113.55 115.78 1nju h SER 1218Ca -0.13 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1nju h SER 1218Cb 0.52 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 1nju h SER 1218CO 0.17 0.56 0.52 1.88 -0.87 0.00 0.00 176.83 179.09 1nju h TYR 1219N 1.06 1.23 -0.74 4.77 0.05 -1.98 0.13 116.97 121.50 1nju h TYR 1219Ca 0.47 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.20 1nju h TYR 1219Cb 0.37 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1nju h TYR 1219CO -0.00 0.83 0.34 0.78 -1.05 0.00 0.00 178.16 179.06 1nju h GLY 1220N 1.27 1.14 1.27 3.88 0.00 -1.45 -0.56 103.07 108.63 1nju h GLY 1220Ca 0.32 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1nju h GLY 1220CO -0.06 0.55 -0.56 1.41 0.00 0.00 0.00 176.54 177.88 1nju h LEU 1221N 1.04 0.85 -1.30 3.11 3.38 -0.70 -2.54 115.31 119.14 1nju h LEU 1221Ca 0.25 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1nju h LEU 1221Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nju h LEU 1221CO -0.03 1.23 -0.34 0.25 0.09 0.00 0.00 178.44 179.65 1nju h LEU 1222N 0.58 0.00 -0.18 1.67 5.85 -0.48 -1.45 115.31 121.31 1nju h LEU 1222Ca 0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 1nju h LEU 1222Cb 1.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.19 1nju h LEU 1222CO 0.12 0.34 -0.86 1.23 -0.34 0.00 0.00 178.44 178.92 1nju h GLY 1223N 1.21 0.68 2.00 3.75 0.00 -1.00 -2.89 103.07 106.82 1nju h GLY 1223Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.27 1nju h GLY 1223CO 0.04 0.94 0.00 -0.57 0.00 0.00 0.00 176.54 176.95 1nju h ASN 1224N 0.39 0.00 -0.27 0.19 -1.24 -1.05 -3.18 115.58 110.43 1nju h ASN 1224Ca -0.07 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.81 1nju h ASN 1224Cb 1.49 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.53 1nju h ASN 1224CO 0.16 0.00 -0.32 0.77 -1.29 0.00 0.00 177.43 176.75 1nju h SER 1225N 0.00 0.75 0.33 1.15 4.64 -1.05 -2.86 113.55 116.50 1nju h SER 1225Ca 0.00 -0.49 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 1nju h SER 1225Cb 0.45 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1nju h SER 1225CO 0.00 1.09 -0.30 1.62 -0.87 0.00 0.00 176.83 178.36 1nju h VAL 1226N 0.42 1.18 -0.81 0.95 3.04 -1.63 -1.99 116.25 117.42 1nju h VAL 1226Ca 0.04 -1.05 -0.02 0.00 -1.01 0.00 0.00 66.70 64.65 1nju h VAL 1226Cb 0.90 1.57 -0.04 0.00 -2.01 0.00 0.00 31.29 31.72 1nju h VAL 1226CO 0.08 0.30 0.43 0.44 -1.01 0.00 0.00 177.57 177.81 1nju h ASP 1227N 0.00 1.01 0.32 3.17 3.32 -1.61 -2.09 116.42 120.55 1nju h ASP 1227Ca -0.00 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1nju h ASP 1227Cb 0.55 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1nju h ASP 1227CO 0.04 0.83 -0.42 0.00 -1.72 0.00 0.00 179.24 177.97 1nju h ALA 1228N 1.23 1.19 0.00 3.45 0.00 -1.16 -2.76 119.26 121.21 1nju h ALA 1228Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nju h ALA 1228Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nju h ALA 1228CO -0.04 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1nju n LEU 1229N -4.03 0.00 -0.10 0.00 4.77 -0.79 -2.22 117.00 114.63 1nju n LEU 1229Ca -0.02 0.46 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1nju n LEU 1229Cb 0.47 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1nju n LEU 1229CO 0.41 -0.37 0.53 -1.22 -1.33 0.00 0.00 177.39 175.42 1nju n TYR 1230N -1.46 0.07 -2.41 -1.77 4.01 -1.04 -4.98 117.16 109.58 1nju n TYR 1230Ca 0.02 -0.63 -0.42 0.00 -0.16 0.00 0.00 57.90 56.70 1nju n TYR 1230Cb 0.06 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1nju n TYR 1230CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nju s ILE 1231N -1.52 4.10 0.10 -0.72 -1.09 -0.94 -4.93 121.20 116.20 1nju s ILE 1231Ca 0.11 1.47 -0.31 0.00 -2.23 0.00 0.00 60.65 59.69 1nju s ILE 1231Cb 0.09 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1nju s ILE 1231CO 0.02 0.04 1.88 -0.13 -1.23 0.00 0.00 174.94 175.52 1nju s ARG 1232N 1.82 4.14 -1.49 2.79 1.81 -1.26 -3.15 118.95 123.60 1nju s ARG 1232Ca 0.58 2.61 -0.11 0.00 -1.72 0.00 0.00 55.73 57.09 1nju s ARG 1232Cb -0.27 -3.77 0.07 0.00 -0.45 0.00 0.00 34.95 30.52 1nju s ARG 1232CO 0.25 -0.88 0.89 0.39 -0.68 0.00 0.00 175.30 175.27 1nju n GLU 1233N 6.27 -5.19 -0.07 3.54 1.02 -1.26 -4.91 120.64 120.04 1nju n GLU 1233Ca 0.18 0.58 -0.08 0.00 -0.02 0.00 0.00 57.16 57.83 1nju n GLU 1233Cb 0.39 -5.36 -0.01 0.00 -0.02 0.00 0.00 31.44 26.43 1nju n GLU 1233CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1nju h ARG 1234N -2.01 -0.23 -0.41 3.49 2.43 -1.92 -2.12 114.38 113.61 1nju h ARG 1234Ca -0.59 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.57 1nju h ARG 1234Cb 1.37 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 1nju h ARG 1234CO 0.65 -0.16 0.16 -0.07 -1.51 0.00 0.00 179.97 179.05 1nju h LEU 1235N -0.24 0.57 -1.05 3.80 4.07 -1.91 -0.80 115.31 119.75 1nju h LEU 1235Ca 0.15 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.95 1nju h LEU 1235Cb 0.48 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1nju h LEU 1235CO -0.44 0.58 0.64 -0.65 -1.08 0.00 0.00 178.44 177.49 1nju h PRO 1236N 0.52 1.27 -0.28 1.13 0.11 -1.89 -0.13 132.00 132.72 1nju h PRO 1236Ca 0.14 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1nju h PRO 1236Cb 0.19 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1nju h PRO 1236CO -0.01 0.84 0.01 0.87 -0.21 0.00 0.00 178.00 179.50 1nju h LYS 1237N 1.31 0.50 0.50 1.05 1.57 -1.15 -1.34 116.57 119.01 1nju h LYS 1237Ca 0.35 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1nju h LYS 1237Cb -0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1nju h LYS 1237CO -0.08 0.64 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.95 1nju h LEU 1238N 0.29 -1.13 -1.13 2.94 4.07 -0.71 0.82 115.31 120.45 1nju h LEU 1238Ca 0.08 0.09 0.23 0.00 0.08 0.00 0.00 57.88 58.36 1nju h LEU 1238Cb 0.42 0.36 -0.11 0.00 1.08 0.00 0.00 40.66 42.41 1nju h LEU 1238CO 0.01 -0.60 0.62 0.03 -1.08 0.00 0.00 178.44 177.42 1nju h ARG 1239N -0.92 0.57 -0.45 1.13 3.08 -1.00 0.39 114.38 117.18 1nju h ARG 1239Ca -0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1nju h ARG 1239Cb 0.79 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1nju h ARG 1239CO -0.02 0.37 0.17 -0.92 -1.07 0.00 0.00 179.97 178.51 1nju h TYR 1240N 0.58 0.69 -0.55 3.04 3.20 -0.37 -2.15 116.97 121.40 1nju h TYR 1240Ca 0.60 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.38 1nju h TYR 1240Cb 1.19 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1nju h TYR 1240CO -0.00 0.59 0.19 -0.44 -1.64 0.00 0.00 178.16 176.86 1nju h ASP 1241N 0.58 0.74 -0.21 -2.11 3.32 0.21 -1.23 116.42 117.73 1nju h ASP 1241Ca 0.15 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1nju h ASP 1241Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1nju h ASP 1241CO -0.01 0.69 0.11 0.50 -1.72 0.00 0.00 179.24 178.81 1nju h LYS 1242N 0.80 0.29 -0.30 3.56 3.64 -0.62 -1.02 116.57 122.92 1nju h LYS 1242Ca 0.19 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1nju h LYS 1242Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1nju h LYS 1242CO -0.01 0.27 -0.16 1.96 -2.27 0.00 0.00 179.45 179.24 1nju h GLN 1243N 0.23 0.52 -0.08 1.90 7.50 -1.07 -2.00 115.11 122.11 1nju h GLN 1243Ca 0.07 -0.17 -0.04 0.00 0.50 0.00 0.00 58.65 59.02 1nju h GLN 1243Cb 0.06 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 1nju h GLN 1243CO -0.01 0.67 -0.11 1.25 -1.50 0.00 0.00 178.83 179.12 1nju h LEU 1244N 0.48 0.24 -0.11 1.46 7.12 -0.92 -3.25 115.31 120.33 1nju h LEU 1244Ca 0.08 -0.52 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1nju h LEU 1244Cb 0.55 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1nju h LEU 1244CO 0.04 0.71 -0.17 1.33 -0.13 0.00 0.00 178.44 180.22 1nju n VAL 1245N -4.64 0.00 -0.24 1.05 0.24 -0.41 -4.95 118.33 109.37 1nju n VAL 1245Ca -0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1nju n VAL 1245Cb 0.34 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1nju n VAL 1245CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nju n GLY 1246N 1.39 1.28 0.00 7.63 0.00 -0.77 -4.30 105.19 110.43 1nju n GLY 1246Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1nju n GLY 1246CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nju n VAL 1247N -2.00 0.54 0.00 1.61 3.14 -1.11 -1.20 118.33 119.31 1nju n VAL 1247Ca 0.00 0.15 -0.17 0.00 -2.96 0.00 0.00 64.34 61.36 1nju n VAL 1247Cb 0.00 -1.15 -0.13 0.00 -1.06 0.00 0.00 33.84 31.50 1nju n VAL 1247CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nju h THR 1248N 0.00 1.56 -0.31 1.55 1.03 -1.90 -3.34 112.91 111.50 1nju h THR 1248Ca 0.00 -2.28 -0.02 0.00 -0.01 0.00 0.00 66.41 64.10 1nju h THR 1248Cb 0.04 3.03 -0.01 0.00 -1.07 0.00 0.00 68.15 70.14 1nju h THR 1248CO 0.00 0.63 0.11 -0.33 -0.01 0.00 0.00 175.52 175.92 1nju h GLU 1249N -0.48 0.47 -7.54 0.00 4.39 -1.49 -3.43 114.58 106.51 1nju h GLU 1249Ca -0.08 -0.09 -0.42 0.00 0.34 0.00 0.00 59.36 59.11 1nju h GLU 1249Cb 1.31 -0.07 0.19 0.00 -0.10 0.00 0.00 28.75 30.07 1nju h GLU 1249CO 0.09 0.50 0.22 1.03 -1.16 0.00 0.00 179.01 179.69 1nju s ARG 1250N -5.47 -0.80 -0.03 2.33 1.81 -1.21 -5.06 118.95 110.52 1nju s ARG 1250Ca -0.13 -0.23 0.05 0.00 -1.72 0.00 0.00 55.73 53.69 1nju s ARG 1250Cb 0.09 -1.66 -0.01 0.00 -0.45 0.00 0.00 34.95 32.92 1nju s ARG 1250CO 0.74 -3.40 -0.17 -2.00 -0.68 0.00 0.00 175.30 169.78 1nju s GLU 1251N -5.60 1.56 0.00 3.54 2.56 -1.26 -4.91 118.70 114.58 1nju s GLU 1251Ca 0.73 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1nju s GLU 1251Cb -0.07 -1.42 0.00 0.00 2.00 0.00 0.00 34.13 34.64 1nju s GLU 1251CO 0.55 0.30 0.00 -1.13 -0.56 0.00 0.00 175.26 174.42 1nju n SER 1252N 2.93 0.00 -0.14 -1.70 3.41 -1.26 -5.00 113.62 111.85 1nju n SER 1252Ca -0.16 -0.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.96 1nju n SER 1252Cb 0.54 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.93 1nju n SER 1252CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nju n TYR 1253N 0.00 0.00 -1.63 7.33 4.01 -1.26 -4.64 117.16 120.97 1nju n TYR 1253Ca 0.00 0.00 -0.54 0.00 -0.16 0.00 0.00 57.90 57.20 1nju n TYR 1253Cb 0.00 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1nju n TYR 1253CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nju n VAL 1254N -0.98 0.10 0.48 -0.72 0.31 -1.26 -4.78 118.33 111.49 1nju n VAL 1254Ca 0.11 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.54 1nju n VAL 1254Cb 0.32 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.32 1nju n VAL 1254CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nju n LYS 1255N 3.46 0.34 0.00 5.55 4.76 -1.26 -5.05 118.16 125.96 1nju n LYS 1255Ca 0.21 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 1nju n LYS 1255Cb 0.16 -1.60 0.72 0.00 -1.84 0.00 0.00 35.03 32.47 1nju n LYS 1255CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03