#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgf h VAL 1006N 0.00 1.29 -3.79 3.53 2.07 -1.93 -3.01 116.25 114.40 1vgf h VAL 1006Ca 0.00 -1.59 -0.68 0.00 0.82 0.00 0.00 66.70 65.26 1vgf h VAL 1006Cb 0.00 1.49 -0.19 0.00 -1.52 0.00 0.00 31.29 31.07 1vgf h VAL 1006CO 0.00 0.51 -0.76 -0.36 0.02 0.00 0.00 177.57 176.98 1vgf s PHE 1007N -4.29 2.70 -0.36 1.57 0.08 -1.26 -3.67 117.98 112.74 1vgf s PHE 1007Ca -0.09 -0.16 -0.26 0.00 0.12 0.00 0.00 56.93 56.54 1vgf s PHE 1007Cb 0.12 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1vgf s PHE 1007CO 0.85 0.32 0.92 -1.14 -0.10 0.00 0.00 175.22 176.07 1vgf s GLN 1008N -1.51 3.86 -0.10 0.44 0.74 -0.58 -4.81 119.66 117.69 1vgf s GLN 1008Ca 0.16 0.60 -0.27 0.00 0.05 0.00 0.00 55.36 55.90 1vgf s GLN 1008Cb -0.11 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 1vgf s GLN 1008CO 0.07 -0.93 0.88 -1.25 -0.55 0.00 0.00 175.29 173.51 1vgf s PRO 1009N 3.45 4.41 -0.18 1.67 0.04 -1.26 -1.20 135.00 141.93 1vgf s PRO 1009Ca 0.38 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1vgf s PRO 1009Cb -0.12 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.93 1vgf s PRO 1009CO 0.18 -0.19 -0.16 0.08 0.04 0.00 0.00 177.00 176.95 1vgf s VAL 1010N 1.62 1.86 0.34 -0.36 1.01 -0.63 -4.97 120.40 119.27 1vgf s VAL 1010Ca 0.43 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1vgf s VAL 1010Cb -0.18 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 1vgf s VAL 1010CO 0.18 0.43 -0.09 -1.81 0.00 0.00 0.00 175.10 173.81 1vgf s ASP 1011N 1.35 3.68 -0.43 3.32 -0.00 -1.26 -1.03 116.67 122.31 1vgf s ASP 1011Ca 0.03 -1.21 0.08 0.00 -0.00 0.00 0.00 52.55 51.45 1vgf s ASP 1011Cb -0.14 -0.34 0.35 0.00 -0.00 0.00 0.00 42.92 42.79 1vgf s ASP 1011CO -0.11 -0.23 1.22 0.00 -0.00 0.00 0.00 175.17 176.05 1vgf n GLN 1012N -0.79 1.10 -4.35 8.23 1.13 -0.74 -4.95 117.38 117.01 1vgf n GLN 1012Ca -0.05 -1.93 -0.26 0.00 -1.94 0.00 0.00 57.00 52.82 1vgf n GLN 1012Cb 0.64 -0.60 -0.12 0.00 0.11 0.00 0.00 30.24 30.26 1vgf n GLN 1012CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vgf s LEU 1013N -2.70 2.34 0.35 1.08 1.43 -1.26 -4.01 118.68 115.90 1vgf s LEU 1013Ca 0.22 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 1vgf s LEU 1013Cb 0.34 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 45.43 1vgf s LEU 1013CO -0.07 0.10 1.02 -2.16 0.23 0.00 0.00 176.35 175.48 1vgf s PRO 1014N -2.15 4.39 0.13 1.29 0.04 -1.26 -4.88 135.00 132.55 1vgf s PRO 1014Ca 0.12 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1vgf s PRO 1014Cb -0.09 -2.74 0.33 0.00 0.04 0.00 0.00 34.50 32.04 1vgf s PRO 1014CO 0.06 0.06 0.65 -1.91 0.04 0.00 0.00 177.00 175.89 1vgf n GLU 1015N 0.36 -0.03 0.00 4.56 4.07 -1.26 -0.10 120.64 128.23 1vgf n GLU 1015Ca 0.03 0.61 0.07 0.00 -0.06 0.00 0.00 57.16 57.81 1vgf n GLU 1015Cb 0.49 -0.98 0.38 0.00 -0.06 0.00 0.00 31.44 31.27 1vgf n GLU 1015CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1vgf n ASP 1016N -4.38 0.00 -0.08 4.31 5.75 -1.26 -2.74 116.55 118.14 1vgf n ASP 1016Ca 0.10 -0.24 0.03 0.00 -0.01 0.00 0.00 54.79 54.67 1vgf n ASP 1016Cb 0.33 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 1vgf n ASP 1016CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vgf n LEU 1017N -1.10 0.67 -0.14 -2.12 4.77 0.85 -4.69 117.00 115.24 1vgf n LEU 1017Ca 0.09 -0.67 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 1vgf n LEU 1017Cb 0.07 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vgf n LEU 1017CO 0.09 0.15 0.96 0.40 -1.33 0.00 0.00 177.39 177.65 1vgf h ILE 1018N 0.40 1.17 -0.68 -0.08 1.08 -1.61 -2.36 117.51 115.43 1vgf h ILE 1018Ca 0.00 -0.49 0.12 0.00 -0.39 0.00 0.00 64.86 64.10 1vgf h ILE 1018Cb 0.17 0.75 -0.09 0.00 -3.07 0.00 0.00 36.82 34.59 1vgf h ILE 1018CO 0.00 0.19 0.24 -0.65 -0.69 0.00 0.00 178.15 177.24 1vgf h PRO 1019N 0.51 0.38 -0.44 2.37 0.11 -1.84 -0.19 132.00 132.91 1vgf h PRO 1019Ca 0.14 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1vgf h PRO 1019Cb 0.12 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1vgf h PRO 1019CO -0.02 0.25 0.04 0.77 -0.21 0.00 0.00 178.00 178.83 1vgf h SER 1020N 0.39 0.66 0.28 -2.05 0.02 -1.76 -2.01 113.55 109.08 1vgf h SER 1020Ca 0.36 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1vgf h SER 1020Cb 0.51 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1vgf h SER 1020CO -0.37 0.71 -0.44 0.77 -1.14 0.00 0.00 176.83 176.35 1vgf h SER 1021N 0.67 0.22 -0.23 3.07 4.64 -0.57 -2.03 113.55 119.31 1vgf h SER 1021Ca 0.14 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1vgf h SER 1021Cb 0.36 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1vgf h SER 1021CO 0.01 0.64 -0.26 0.40 -0.87 0.00 0.00 176.83 176.75 1vgf h ILE 1022N 0.17 1.27 -0.63 0.95 1.08 -0.69 -1.40 117.51 118.26 1vgf h ILE 1022Ca 0.01 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.09 1vgf h ILE 1022Cb 0.85 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1vgf h ILE 1022CO 0.07 0.45 0.31 1.56 -0.69 0.00 0.00 178.15 179.85 1vgf h GLN 1023N 0.62 0.88 -0.33 2.37 1.08 -0.84 0.16 115.11 119.05 1vgf h GLN 1023Ca 0.08 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1vgf h GLN 1023Cb 0.76 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1vgf h GLN 1023CO 0.06 0.67 -0.03 0.28 -0.95 0.00 0.00 178.83 178.87 1vgf h VAL 1024N 0.88 1.27 -0.87 -0.54 2.07 -0.87 1.00 116.25 119.18 1vgf h VAL 1024Ca 0.22 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1vgf h VAL 1024Cb 0.07 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1vgf h VAL 1024CO -0.03 0.33 0.58 0.25 0.02 0.00 0.00 177.57 178.72 1vgf h LEU 1025N 0.40 0.97 -0.14 2.57 6.46 -0.40 0.18 115.31 125.34 1vgf h LEU 1025Ca 0.09 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1vgf h LEU 1025Cb 0.49 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1vgf h LEU 1025CO 0.02 0.68 -0.17 0.50 -0.62 0.00 0.00 178.44 178.85 1vgf h LYS 1026N 1.13 0.36 -0.92 1.25 3.64 -0.34 -0.71 116.57 120.99 1vgf h LYS 1026Ca 0.33 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1vgf h LYS 1026Cb -0.05 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1vgf h LYS 1026CO -0.09 0.77 0.60 0.35 -2.27 0.00 0.00 179.45 178.82 1vgf h PHE 1027N -0.02 1.14 0.00 1.91 3.57 -0.32 -1.80 116.94 121.42 1vgf h PHE 1027Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1vgf h PHE 1027Cb 0.72 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1vgf h PHE 1027CO 0.09 0.70 -0.44 0.77 -2.23 0.00 0.00 178.31 177.20 1vgf h SER 1028N 1.21 0.00 -0.66 0.41 0.02 -0.64 -3.27 113.55 110.63 1vgf h SER 1028Ca 0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1vgf h SER 1028Cb -0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1vgf h SER 1028CO -0.09 0.44 0.18 1.23 -1.14 0.00 0.00 176.83 177.45 1vgf h GLY 1029N 2.42 1.12 -2.13 -3.77 0.00 -0.22 -3.03 103.07 97.46 1vgf h GLY 1029Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1vgf h GLY 1029CO 0.06 0.64 0.00 0.58 0.00 0.00 0.00 176.54 177.81 1vgf n LYS 1030N -4.32 0.72 -0.79 4.80 2.85 -1.14 -2.90 118.16 117.39 1vgf n LYS 1030Ca 0.04 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.33 1vgf n LYS 1030Cb 0.24 -1.14 0.04 0.00 -0.65 0.00 0.00 35.03 33.52 1vgf n LYS 1030CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vgf n TYR 1031N 0.74 0.00 -3.53 5.58 4.01 -1.15 -5.03 117.16 117.78 1vgf n TYR 1031Ca 0.00 -0.43 -0.38 0.00 -0.16 0.00 0.00 57.90 56.93 1vgf n TYR 1031Cb 0.36 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 1vgf n TYR 1031CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1vgf s LEU 1032N -0.67 4.09 -0.41 7.72 2.96 -1.14 0.13 118.68 131.35 1vgf s LEU 1032Ca 0.19 0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.12 1vgf s LEU 1032Cb 0.20 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1vgf s LEU 1032CO -0.06 -0.04 0.53 -0.75 -1.32 0.00 0.00 176.35 174.71 1vgf s LYS 1033N 1.48 3.30 -0.31 1.98 2.20 0.12 -4.90 119.74 123.61 1vgf s LYS 1033Ca 0.11 -0.47 -0.10 0.00 -0.36 0.00 0.00 55.97 55.15 1vgf s LYS 1033Cb -0.15 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 1vgf s LYS 1033CO 0.08 -0.85 0.17 -1.17 -0.36 0.00 0.00 175.35 173.22 1vgf s LEU 1034N 2.44 4.13 -0.06 5.43 2.96 -1.26 -2.09 118.68 130.22 1vgf s LEU 1034Ca 0.17 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 1vgf s LEU 1034Cb -0.16 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.52 1vgf s LEU 1034CO 0.15 -0.17 0.35 -0.70 -1.32 0.00 0.00 176.35 174.67 1vgf s GLU 1035N 1.66 0.60 -1.55 1.98 2.12 -0.71 -4.89 118.70 117.91 1vgf s GLU 1035Ca 0.06 0.09 -0.14 0.00 0.36 0.00 0.00 54.97 55.33 1vgf s GLU 1035Cb -0.17 0.27 0.09 0.00 0.26 0.00 0.00 34.13 34.59 1vgf s GLU 1035CO 0.08 -0.14 0.96 1.04 -0.54 0.00 0.00 175.26 176.65 1vgf n GLN 1036N 1.85 -5.24 -0.87 4.30 6.02 -1.26 -0.76 117.38 121.41 1vgf n GLN 1036Ca -0.18 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1vgf n GLN 1036Cb 0.57 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.39 1vgf n GLN 1036CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1vgf n ASP 1037N -2.82 -3.91 -4.29 1.08 2.03 -1.26 -4.96 116.55 102.42 1vgf n ASP 1037Ca 0.04 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.03 1vgf n ASP 1037Cb 0.52 -2.83 -0.16 0.00 -0.72 0.00 0.00 41.12 37.94 1vgf n ASP 1037CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1vgf s LYS 1038N -1.48 3.07 -0.12 -0.67 1.02 0.06 -5.12 119.74 116.50 1vgf s LYS 1038Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 1vgf s LYS 1038Cb 0.00 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1vgf s LYS 1038CO 0.00 0.24 -0.03 0.00 -0.92 0.00 0.00 175.35 174.65 1vgf s ALA 1039N 0.21 3.10 0.10 5.17 0.00 -1.26 -1.74 121.76 127.34 1vgf s ALA 1039Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1vgf s ALA 1039Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1vgf s ALA 1039CO 0.07 0.39 -0.02 0.71 0.00 0.00 0.00 175.76 176.90 1vgf s TYR 1040N -0.21 0.80 0.04 0.00 2.02 -0.89 -4.77 117.35 114.34 1vgf s TYR 1040Ca 0.04 -1.05 -0.24 0.00 -0.37 0.00 0.00 57.07 55.45 1vgf s TYR 1040Cb -0.13 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 1vgf s TYR 1040CO 0.02 -0.31 0.75 0.12 -1.57 0.00 0.00 175.55 174.56 1vgf s PHE 1041N -3.82 3.73 -0.88 2.71 2.19 -1.26 0.12 117.98 120.77 1vgf s PHE 1041Ca 0.14 1.44 -0.19 0.00 0.33 0.00 0.00 56.93 58.65 1vgf s PHE 1041Cb 0.07 -2.80 0.13 0.00 -1.31 0.00 0.00 43.02 39.11 1vgf s PHE 1041CO -0.04 0.28 1.06 0.34 1.83 0.00 0.00 175.22 178.69 1vgf s ASP 1042N -0.05 6.57 0.06 6.13 2.15 0.12 -4.84 116.67 126.82 1vgf s ASP 1042Ca 0.38 -1.96 -0.23 0.00 0.43 0.00 0.00 52.55 51.16 1vgf s ASP 1042Cb -0.20 -2.38 -0.16 0.00 -0.30 0.00 0.00 42.92 39.88 1vgf s ASP 1042CO 0.22 -1.06 1.59 -0.50 -0.17 0.00 0.00 175.17 175.24 1vgf h TRP 1043N 8.84 0.05 -0.20 -5.34 4.06 -1.95 -2.15 115.95 119.26 1vgf h TRP 1043Ca 0.09 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.08 1vgf h TRP 1043Cb 1.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 29.13 1vgf h TRP 1043CO 1.12 0.20 -0.09 -1.35 -3.56 0.00 0.00 178.44 174.76 1vgf h PRO 1044N -0.11 -0.05 -0.81 0.49 0.11 -1.98 0.54 132.00 130.18 1vgf h PRO 1044Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1vgf h PRO 1044Cb 0.17 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 1vgf h PRO 1044CO -0.00 -0.04 0.49 0.78 -0.21 0.00 0.00 178.00 179.02 1vgf h GLY 1045N -0.06 1.17 0.93 -0.55 0.00 -1.96 -1.55 103.07 101.05 1vgf h GLY 1045Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1vgf h GLY 1045CO -0.24 0.47 0.10 -2.75 0.00 0.00 0.00 176.54 174.12 1vgf h PHE 1046N 1.11 0.63 -0.10 5.60 3.57 -0.91 0.44 116.94 127.27 1vgf h PHE 1046Ca 0.29 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1vgf h PHE 1046Cb -0.04 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1vgf h PHE 1046CO -0.01 0.61 -0.06 0.87 -2.23 0.00 0.00 178.31 177.50 1vgf h LYS 1047N 0.47 -0.05 -0.28 1.11 1.57 -0.65 0.56 116.57 119.30 1vgf h LYS 1047Ca 0.12 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1vgf h LYS 1047Cb 0.29 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1vgf h LYS 1047CO -0.00 -0.04 -0.08 1.15 -0.57 0.00 0.00 179.45 179.91 1vgf h THR 1048N -0.06 0.69 -0.86 -0.16 2.02 -1.03 0.08 112.91 113.60 1vgf h THR 1048Ca 0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.38 1vgf h THR 1048Cb 0.14 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 67.16 1vgf h THR 1048CO -0.14 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.21 1vgf h ALA 1049N 1.26 1.28 0.32 6.16 0.00 -0.25 0.33 119.26 128.36 1vgf h ALA 1049Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vgf h ALA 1049Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vgf h ALA 1049CO -0.30 -0.03 -0.25 0.82 0.00 0.00 0.00 179.25 179.48 1vgf h ILE 1050N 0.68 0.46 -0.93 0.00 1.08 0.93 -1.40 117.51 118.33 1vgf h ILE 1050Ca 0.46 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.05 1vgf h ILE 1050Cb 0.59 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 1vgf h ILE 1050CO -0.33 0.00 0.59 0.44 -0.69 0.00 0.00 178.15 178.16 1vgf h ASP 1051N -0.58 0.78 1.20 1.72 3.32 0.40 -0.72 116.42 122.55 1vgf h ASP 1051Ca -0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1vgf h ASP 1051Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1vgf h ASP 1051CO -0.01 0.41 0.00 0.78 -1.72 0.00 0.00 179.24 178.70 1vgf h ASN 1052N 0.84 0.00 -3.43 6.45 -0.26 0.07 -3.46 115.58 115.78 1vgf h ASN 1052Ca 0.46 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.64 1vgf h ASN 1052Cb 0.58 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 37.94 1vgf h ASN 1052CO -0.22 0.00 0.64 0.00 -1.06 0.00 0.00 177.43 176.78 1vgf n TYR 1053N -2.72 2.55 -3.11 1.19 9.36 -0.28 -4.97 117.16 119.19 1vgf n TYR 1053Ca 0.02 0.48 -0.21 0.00 3.32 0.00 0.00 57.90 61.52 1vgf n TYR 1053Cb 0.35 -2.47 -0.03 0.00 -0.63 0.00 0.00 39.34 36.55 1vgf n TYR 1053CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1vgf n THR 1054N 0.70 0.85 -4.25 2.97 -2.24 -1.26 -5.07 114.28 105.98 1vgf n THR 1054Ca 0.05 -4.89 -0.13 0.00 -2.27 0.00 0.00 64.05 56.81 1vgf n THR 1054Cb 0.37 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1vgf n THR 1054CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vgf n GLY 1055N 0.11 3.67 0.00 3.38 0.00 -1.26 -5.07 105.19 106.02 1vgf n GLY 1055Ca 0.27 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1vgf n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vgf n GLU 1056N -0.46 1.60 -0.16 1.61 4.71 -1.26 -4.61 120.64 122.06 1vgf n GLU 1056Ca -0.03 -1.15 0.05 0.00 -0.01 0.00 0.00 57.16 56.02 1vgf n GLU 1056Cb 0.31 -1.00 0.14 0.00 -1.01 0.00 0.00 31.44 29.88 1vgf n GLU 1056CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1vgf n ASP 1057N -0.32 2.85 -3.81 1.62 10.43 -1.26 -4.85 116.55 121.21 1vgf n ASP 1057Ca 0.00 -1.98 -0.13 0.00 2.57 0.00 0.00 54.79 55.25 1vgf n ASP 1057Cb 0.16 -0.21 -0.13 0.00 1.84 0.00 0.00 41.12 42.78 1vgf n ASP 1057CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1vgf s LEU 1058N -1.00 1.40 -0.15 0.64 2.96 -1.26 -0.37 118.68 120.90 1vgf s LEU 1058Ca 0.22 0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.23 1vgf s LEU 1058Cb 0.11 0.36 0.04 0.00 0.50 0.00 0.00 46.19 47.21 1vgf s LEU 1058CO 0.15 -0.06 0.40 -0.94 -1.32 0.00 0.00 176.35 174.58 1vgf s SER 1059N 0.31 -0.44 -0.27 3.68 1.04 -0.69 -4.83 113.70 112.49 1vgf s SER 1059Ca -0.02 0.82 -0.29 0.00 0.48 0.00 0.00 55.95 56.94 1vgf s SER 1059Cb -0.03 0.80 -0.00 0.00 0.10 0.00 0.00 66.02 66.89 1vgf s SER 1059CO -0.01 -0.15 1.30 0.12 0.98 0.00 0.00 173.24 175.47 1vgf s PHE 1060N 0.53 2.71 -0.20 5.02 5.36 -1.26 -1.51 117.98 128.62 1vgf s PHE 1060Ca -0.03 0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 56.68 1vgf s PHE 1060Cb -0.04 -3.83 -0.11 0.00 -0.34 0.00 0.00 43.02 38.70 1vgf s PHE 1060CO -0.03 -1.72 -0.11 -3.47 -1.46 0.00 0.00 175.22 168.43 1vgf n ASP 1061N 7.46 1.88 -3.66 6.13 4.64 -0.63 -4.95 116.55 127.42 1vgf n ASP 1061Ca 0.15 0.45 -0.09 0.00 -1.38 0.00 0.00 54.79 53.92 1vgf n ASP 1061Cb 0.46 -0.87 -0.02 0.00 -1.04 0.00 0.00 41.12 39.65 1vgf n ASP 1061CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1vgf s LYS 1062N -2.45 1.49 -0.10 -0.67 2.20 -0.90 -5.01 119.74 114.31 1vgf s LYS 1062Ca -0.27 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.56 1vgf s LYS 1062Cb 0.06 0.57 0.04 0.00 -1.51 0.00 0.00 37.83 37.00 1vgf s LYS 1062CO 0.44 -0.67 0.23 -0.47 -0.36 0.00 0.00 175.35 174.51 1vgf s TYR 1063N -3.76 -0.30 0.01 4.03 5.04 -1.26 0.12 117.35 121.24 1vgf s TYR 1063Ca 0.07 0.72 0.02 0.00 -2.44 0.00 0.00 57.07 55.44 1vgf s TYR 1063Cb -0.03 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 1vgf s TYR 1063CO -0.02 -0.21 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.41 1vgf s ASP 1064N 1.06 0.68 0.01 4.32 1.11 0.14 -4.99 116.67 118.99 1vgf s ASP 1064Ca -0.08 -0.27 -0.00 0.00 0.18 0.00 0.00 52.55 52.38 1vgf s ASP 1064Cb -0.09 -0.02 -0.01 0.00 1.07 0.00 0.00 42.92 43.87 1vgf s ASP 1064CO -0.07 -0.05 -0.01 -1.58 1.18 0.00 0.00 175.17 174.64 1vgf s GLN 1065N -0.70 0.19 -0.13 8.23 0.74 -1.26 -0.18 119.66 126.55 1vgf s GLN 1065Ca -0.03 -0.36 -0.06 0.00 0.05 0.00 0.00 55.36 54.96 1vgf s GLN 1065Cb -0.05 0.07 0.05 0.00 1.10 0.00 0.00 33.01 34.18 1vgf s GLN 1065CO 0.00 -0.03 0.29 0.45 -0.55 0.00 0.00 175.29 175.45 1vgf s SER 1066N -0.87 -0.25 -0.20 6.67 0.15 0.41 -4.99 113.70 114.61 1vgf s SER 1066Ca -0.10 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1vgf s SER 1066Cb -0.06 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1vgf s SER 1066CO -0.01 -0.18 -0.13 -0.89 1.20 0.00 0.00 173.24 173.23 1vgf s THR 1067N 1.48 1.87 0.01 6.45 2.01 -1.26 0.65 115.64 126.85 1vgf s THR 1067Ca -0.08 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.82 1vgf s THR 1067Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1vgf s THR 1067CO -0.10 0.24 0.05 -0.63 -0.69 0.00 0.00 174.62 173.49 1vgf s ILE 1068N 1.31 4.49 0.52 1.82 1.09 0.21 -4.99 121.20 125.64 1vgf s ILE 1068Ca -0.01 -0.54 -0.17 0.00 -1.10 0.00 0.00 60.65 58.83 1vgf s ILE 1068Cb -0.16 -3.06 -0.07 0.00 -1.06 0.00 0.00 42.46 38.11 1vgf s ILE 1068CO -0.09 0.32 1.01 0.21 -0.10 0.00 0.00 174.94 176.29 1vgf s ASN 1069N -1.79 6.41 -0.27 3.58 3.04 -1.26 -2.86 114.94 121.79 1vgf s ASN 1069Ca 0.23 1.69 -0.35 0.00 0.04 0.00 0.00 52.86 54.46 1vgf s ASN 1069Cb -0.12 -2.52 -0.12 0.00 -1.54 0.00 0.00 41.25 36.95 1vgf s ASN 1069CO 0.14 -0.73 2.05 0.00 -3.04 0.00 0.00 177.10 175.52 1vgf n GLN 1070N -1.53 1.40 -3.88 0.43 6.02 -1.26 -4.63 117.38 113.94 1vgf n GLN 1070Ca 0.07 0.44 -0.17 0.00 -0.01 0.00 0.00 57.00 57.34 1vgf n GLN 1070Cb 0.54 -2.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.13 1vgf n GLN 1070CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1vgf s GLN 1071N 5.33 0.22 -0.10 -1.09 -2.07 0.28 -4.87 119.66 117.36 1vgf s GLN 1071Ca 1.03 0.11 -0.29 0.00 -1.82 0.00 0.00 55.36 54.39 1vgf s GLN 1071Cb -0.82 -0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 30.59 1vgf s GLN 1071CO 0.51 -0.15 2.10 0.45 -1.32 0.00 0.00 175.29 176.89 1vgf n SER 1072N 4.20 3.69 -2.63 12.60 2.88 -1.26 -2.53 113.62 130.57 1vgf n SER 1072Ca -0.26 0.54 -0.09 0.00 -1.33 0.00 0.00 58.87 57.73 1vgf n SER 1072Cb 0.50 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.44 1vgf n SER 1072CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vgf n GLN 1073N 8.15 0.91 -3.60 -1.46 10.64 0.02 -4.95 117.38 127.10 1vgf n GLN 1073Ca 0.25 -2.10 -0.26 0.00 -1.83 0.00 0.00 57.00 53.06 1vgf n GLN 1073Cb 0.42 2.45 -0.03 0.00 -0.86 0.00 0.00 30.24 32.23 1vgf n GLN 1073CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1vgf s GLU 1074N -2.24 3.52 0.20 2.61 2.02 -1.26 -0.93 118.70 122.62 1vgf s GLU 1074Ca 0.17 -0.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.72 1vgf s GLU 1074Cb -0.03 -2.78 0.20 0.00 0.10 0.00 0.00 34.13 31.62 1vgf s GLU 1074CO 0.13 0.32 1.79 0.28 0.02 0.00 0.00 175.26 177.79 1vgf h VAL 1075N 1.30 0.92 -0.83 2.63 2.07 -1.21 -1.52 116.25 119.61 1vgf h VAL 1075Ca -0.49 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1vgf h VAL 1075Cb 1.20 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1vgf h VAL 1075CO 0.66 0.10 0.39 1.23 0.02 0.00 0.00 177.57 179.97 1vgf h GLY 1076N 0.55 1.28 1.10 2.17 0.00 -1.61 -0.08 103.07 106.47 1vgf h GLY 1076Ca 0.27 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1vgf h GLY 1076CO -0.20 0.60 -0.38 0.00 0.00 0.00 0.00 176.54 176.57 1vgf h ALA 1077N 1.25 0.53 -0.56 3.60 0.00 -1.73 -1.72 119.26 120.63 1vgf h ALA 1077Ca 0.28 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1vgf h ALA 1077Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vgf h ALA 1077CO -0.04 0.63 -0.01 1.98 0.00 0.00 0.00 179.25 181.81 1vgf h MET 1078N 0.70 0.99 -0.24 0.00 -1.53 -1.04 -0.07 114.93 113.74 1vgf h MET 1078Ca 0.06 -0.30 -0.09 0.00 -3.44 0.00 0.00 59.70 55.92 1vgf h MET 1078Cb 0.97 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.91 1vgf h MET 1078CO 0.09 0.98 -0.24 0.28 0.14 0.00 0.00 176.91 178.16 1vgf h VAL 1079N 0.90 1.26 -0.36 -5.77 2.07 -0.92 -2.01 116.25 111.42 1vgf h VAL 1079Ca 0.16 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1vgf h VAL 1079Cb 0.54 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1vgf h VAL 1079CO 0.03 0.39 -0.03 0.44 0.02 0.00 0.00 177.57 178.42 1vgf h ASP 1080N 0.39 0.65 -0.46 0.57 3.32 -0.76 -1.68 116.42 118.46 1vgf h ASP 1080Ca 0.06 -0.33 0.10 0.00 0.02 0.00 0.00 57.03 56.89 1vgf h ASP 1080Cb 0.64 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1vgf h ASP 1080CO 0.05 0.82 0.32 0.11 -1.72 0.00 0.00 179.24 178.81 1vgf h LYS 1081N 0.46 0.15 -0.08 3.56 1.79 -0.63 0.84 116.57 122.67 1vgf h LYS 1081Ca 0.10 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.37 1vgf h LYS 1081Cb 0.50 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1vgf h LYS 1081CO 0.02 0.10 -0.76 0.82 -1.08 0.00 0.00 179.45 178.55 1vgf h ILE 1082N 0.16 1.37 -0.31 1.86 2.04 -0.64 -2.75 117.51 119.24 1vgf h ILE 1082Ca 0.21 -2.16 -0.13 0.00 1.00 0.00 0.00 64.86 63.78 1vgf h ILE 1082Cb 0.64 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1vgf h ILE 1082CO -0.03 0.65 -0.30 0.00 0.00 0.00 0.00 178.15 178.47 1vgf h ALA 1083N 0.87 0.46 -0.44 1.87 0.00 -0.05 -1.23 119.26 120.74 1vgf h ALA 1083Ca -0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1vgf h ALA 1083Cb 1.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1vgf h ALA 1083CO 0.13 0.49 0.27 -0.22 0.00 0.00 0.00 179.25 179.92 1vgf h LYS 1084N 0.52 0.59 0.22 0.00 3.64 -1.05 0.55 116.57 121.03 1vgf h LYS 1084Ca 0.05 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1vgf h LYS 1084Cb 0.87 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1vgf h LYS 1084CO 0.08 0.41 -0.10 0.35 -2.27 0.00 0.00 179.45 177.91 1vgf h PHE 1085N 0.60 -0.27 -0.26 1.91 3.57 -1.14 -1.78 116.94 119.57 1vgf h PHE 1085Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1vgf h PHE 1085Cb -0.03 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1vgf h PHE 1085CO 0.00 0.00 0.12 -0.07 -2.23 0.00 0.00 178.31 176.13 1vgf h LEU 1086N -0.52 0.35 -1.27 0.59 4.07 -0.53 -2.19 115.31 115.81 1vgf h LEU 1086Ca -0.03 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.83 1vgf h LEU 1086Cb 0.39 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1vgf h LEU 1086CO 0.05 0.39 0.51 0.45 -1.08 0.00 0.00 178.44 178.76 1vgf h HIS 1087N 0.29 0.92 0.01 1.13 3.86 0.05 -1.30 115.15 120.10 1vgf h HIS 1087Ca 0.09 0.02 -0.26 0.00 -1.16 0.00 0.00 60.37 59.06 1vgf h HIS 1087Cb 0.14 -0.31 0.02 0.00 1.06 0.00 0.00 27.41 28.32 1vgf h HIS 1087CO -0.02 0.53 -1.03 -0.44 0.86 0.00 0.00 177.93 177.84 1vgf h ASP 1088N 0.95 0.89 0.57 2.45 3.45 -1.19 -3.03 116.42 120.51 1vgf h ASP 1088Ca 0.31 -0.75 -0.19 0.00 0.43 0.00 0.00 57.03 56.83 1vgf h ASP 1088Cb 0.05 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1vgf h ASP 1088CO -0.09 1.52 -0.85 0.00 -1.57 0.00 0.00 179.24 178.25 1vgf h ALA 1089N 0.39 0.55 -2.16 3.45 0.00 -1.27 -3.36 119.26 116.85 1vgf h ALA 1089Ca -0.13 -0.71 -0.58 0.00 0.00 0.00 0.00 54.91 53.49 1vgf h ALA 1089Cb 1.69 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.99 1vgf h ALA 1089CO 0.20 0.90 -0.75 1.19 0.00 0.00 0.00 179.25 180.79 1vgf n PHE 1090N -3.68 2.66 0.27 0.00 3.72 -0.50 -4.93 117.46 115.00 1vgf n PHE 1090Ca -0.03 -3.98 0.12 0.00 -0.05 0.00 0.00 57.45 53.51 1vgf n PHE 1090Cb 0.79 -0.49 0.75 0.00 -0.94 0.00 0.00 39.48 39.59 1vgf n PHE 1090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vgf h ALA 1091N 3.78 1.40 -0.01 4.37 0.00 -1.69 -2.70 119.26 124.41 1vgf h ALA 1091Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vgf h ALA 1091Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1vgf h ALA 1091CO 0.73 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.94 1vgf n ALA 1092N -2.32 2.87 -2.70 0.00 0.00 -1.26 -4.88 120.51 112.22 1vgf n ALA 1092Ca -0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 1vgf n ALA 1092Cb 0.19 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1vgf n ALA 1092CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vgf s VAL 1093N -2.25 4.93 0.53 0.00 1.01 -1.02 -5.04 120.40 118.56 1vgf s VAL 1093Ca 0.29 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.98 1vgf s VAL 1093Cb 0.20 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1vgf s VAL 1093CO 0.43 0.16 0.81 0.68 0.00 0.00 0.00 175.10 177.18 1vgf s VAL 1094N 1.22 3.95 -1.87 2.92 -7.23 -1.26 -4.32 120.40 113.81 1vgf s VAL 1094Ca 0.44 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1vgf s VAL 1094Cb -0.19 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1vgf s VAL 1094CO 0.21 -0.48 0.00 0.47 -0.31 0.00 0.00 175.10 174.98 1vgf n ASP 1095N -2.37 -5.32 0.00 4.85 8.00 -1.26 -4.82 116.55 115.62 1vgf n ASP 1095Ca 0.03 0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.81 1vgf n ASP 1095Cb 0.57 -4.59 0.11 0.00 -0.02 0.00 0.00 41.12 37.19 1vgf n ASP 1095CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1vgf n LEU 1096N -2.61 0.00 0.11 0.64 7.94 -1.26 -0.86 117.00 120.96 1vgf n LEU 1096Ca -0.21 0.26 0.02 0.00 -1.11 0.00 0.00 56.01 54.97 1vgf n LEU 1096Cb 0.65 -0.26 -0.01 0.00 0.53 0.00 0.00 43.42 44.34 1vgf n LEU 1096CO 0.28 -0.22 0.22 0.28 -1.11 0.00 0.00 177.39 176.84 1vgf h SER 1097N 0.00 0.00 0.26 1.96 0.02 -1.95 -2.80 113.55 111.04 1vgf h SER 1097Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1vgf h SER 1097Cb 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1vgf h SER 1097CO 0.00 0.48 -0.75 0.11 -1.14 0.00 0.00 176.83 175.53 1vgf h LYS 1098N 0.00 0.41 0.33 3.45 6.56 -1.39 -1.85 116.57 124.09 1vgf h LYS 1098Ca -0.05 -0.35 -0.02 0.00 -1.06 0.00 0.00 60.65 59.17 1vgf h LYS 1098Cb 1.41 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.15 1vgf h LYS 1098CO 0.05 0.99 -0.16 1.25 -2.06 0.00 0.00 179.45 179.52 1vgf h LEU 1099N 0.28 -0.37 -0.90 2.94 6.46 -1.62 0.04 115.31 122.14 1vgf h LEU 1099Ca -0.04 -0.17 0.20 0.00 -0.12 0.00 0.00 57.88 57.75 1vgf h LEU 1099Cb 1.33 0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 41.24 1vgf h LEU 1099CO 0.13 0.04 0.44 0.00 -0.62 0.00 0.00 178.44 178.43 1vgf h ALA 1100N -0.42 1.45 -0.04 1.25 0.00 -1.55 0.19 119.26 120.14 1vgf h ALA 1100Ca -0.05 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vgf h ALA 1100Cb 0.53 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1vgf h ALA 1100CO 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.10 1vgf h ALA 1101N 1.67 0.06 -0.70 0.00 0.00 -1.16 -2.34 119.26 116.79 1vgf h ALA 1101Ca 0.54 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1vgf h ALA 1101Cb 0.96 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1vgf h ALA 1101CO -0.47 -0.43 0.38 0.82 0.00 0.00 0.00 179.25 179.55 1vgf h ILE 1102N 0.02 0.92 0.59 0.00 1.08 0.13 -1.11 117.51 119.14 1vgf h ILE 1102Ca 0.02 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1vgf h ILE 1102Cb 0.04 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1vgf h ILE 1102CO -0.00 0.12 -0.37 0.40 -0.69 0.00 0.00 178.15 177.61 1vgf h ILE 1103N 0.67 0.00 -0.91 -0.67 2.04 -0.71 0.19 117.51 118.12 1vgf h ILE 1103Ca 0.33 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.38 1vgf h ILE 1103Cb 0.26 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.27 1vgf h ILE 1103CO -0.22 0.00 0.59 0.25 0.00 0.00 0.00 178.15 178.78 1vgf h LEU 1104N -0.90 0.48 -0.30 1.44 5.85 -1.30 0.80 115.31 121.38 1vgf h LEU 1104Ca -0.08 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1vgf h LEU 1104Cb 0.72 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1vgf h LEU 1104CO 0.08 0.20 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.09 1vgf h ASN 1105N 0.48 0.65 0.02 1.25 -1.24 -0.84 -2.75 115.58 113.17 1vgf h ASN 1105Ca 0.48 -0.41 0.02 0.00 0.71 0.00 0.00 56.30 57.09 1vgf h ASN 1105Cb 1.08 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.92 1vgf h ASN 1105CO -0.20 0.92 -0.15 0.74 -1.29 0.00 0.00 177.43 177.45 1vgf h THR 1106N 0.38 0.64 0.00 -3.57 2.02 0.18 -2.41 112.91 110.15 1vgf h THR 1106Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1vgf h THR 1106Cb 0.68 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1vgf h THR 1106CO 0.05 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 175.68 1vgf h PHE 1107N -0.26 0.00 -0.60 3.16 0.04 -1.35 -2.38 116.94 115.56 1vgf h PHE 1107Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1vgf h PHE 1107Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1vgf h PHE 1107CO -0.19 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.77 1vgf n THR 1108N -2.67 1.93 -2.50 -1.55 -2.24 -1.04 -4.16 114.28 102.05 1vgf n THR 1108Ca 0.02 -1.27 -0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1vgf n THR 1108Cb 0.29 0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1vgf n THR 1108CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1vgf n ASN 1109N 0.91 0.41 -0.21 3.42 5.15 -0.92 -4.58 115.26 119.45 1vgf n ASN 1109Ca 0.25 -2.03 -0.09 0.00 -0.60 0.00 0.00 54.58 52.11 1vgf n ASN 1109Cb 0.90 -0.10 0.02 0.00 -0.53 0.00 0.00 39.78 40.08 1vgf n ASN 1109CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1vgf h LEU 1110N 1.18 0.98 -2.11 1.20 3.38 -1.67 -2.80 115.31 115.47 1vgf h LEU 1110Ca -0.31 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.46 1vgf h LEU 1110Cb 1.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1vgf h LEU 1110CO 0.00 1.03 0.28 -0.08 0.09 0.00 0.00 178.44 179.76 1vgf h GLU 1111N 0.91 0.00 0.02 1.13 4.81 -1.91 0.30 114.58 119.84 1vgf h GLU 1111Ca 0.17 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.22 1vgf h GLU 1111Cb 0.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1vgf h GLU 1111CO 0.02 0.00 -1.00 1.49 -0.73 0.00 0.00 179.01 178.80 1vgf h GLU 1112N 0.00 0.04 -0.00 1.92 4.81 -1.92 -3.37 114.58 116.06 1vgf h GLU 1112Ca 0.14 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1vgf h GLU 1112Cb 0.71 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1vgf h GLU 1112CO -0.00 1.03 -0.11 0.39 -0.73 0.00 0.00 179.01 179.59 1vgf n GLU 1113N -4.38 0.40 -0.49 1.92 1.02 -1.08 -4.30 120.64 113.74 1vgf n GLU 1113Ca -0.26 -0.11 0.38 0.00 -0.02 0.00 0.00 57.16 57.16 1vgf n GLU 1113Cb 0.67 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.19 1vgf n GLU 1113CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1vgf n SER 1114N -1.21 0.05 -0.36 1.62 2.88 0.10 0.17 113.62 116.87 1vgf n SER 1114Ca 0.12 0.86 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 1vgf n SER 1114Cb 0.29 -0.43 0.30 0.00 -0.75 0.00 0.00 64.21 63.62 1vgf n SER 1114CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vgf n SER 1115N -3.71 1.40 -4.73 -3.46 7.64 -1.26 -4.93 113.62 104.57 1vgf n SER 1115Ca 0.33 -1.16 -0.36 0.00 1.01 0.00 0.00 58.87 58.70 1vgf n SER 1115Cb 1.45 0.19 0.08 0.00 -1.01 0.00 0.00 64.21 64.92 1vgf n SER 1115CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vgf s SER 1116N -2.41 4.44 0.44 6.43 0.01 0.45 -4.92 113.70 118.13 1vgf s SER 1116Ca 0.25 2.48 0.29 0.00 1.31 0.00 0.00 55.95 60.28 1vgf s SER 1116Cb 0.19 -2.60 1.08 0.00 0.21 0.00 0.00 66.02 64.89 1vgf s SER 1116CO 0.50 -2.11 1.85 1.23 0.41 0.00 0.00 173.24 175.12 1vgf h GLY 1117N 0.16 0.00 -1.35 3.44 0.00 -1.88 -3.17 103.07 100.27 1vgf h GLY 1117Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1vgf h GLY 1117CO 0.51 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.02 1vgf n PHE 1118N -2.82 0.30 -4.36 5.60 1.16 -1.14 -4.56 117.46 111.64 1vgf n PHE 1118Ca 0.02 -0.15 -0.29 0.00 -1.87 0.00 0.00 57.45 55.16 1vgf n PHE 1118Cb 0.33 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.08 1vgf n PHE 1118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1vgf s LEU 1119N -1.55 2.44 -0.19 5.98 1.43 -1.20 -0.82 118.68 124.78 1vgf s LEU 1119Ca 0.34 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1vgf s LEU 1119Cb 0.19 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 45.18 1vgf s LEU 1119CO 0.28 0.18 0.24 -1.58 0.23 0.00 0.00 176.35 175.70 1vgf s GLN 1120N -2.09 0.19 0.53 1.70 2.00 -0.48 -4.85 119.66 116.66 1vgf s GLN 1120Ca 0.15 0.34 -0.06 0.00 -2.00 0.00 0.00 55.36 53.79 1vgf s GLN 1120Cb -0.10 -0.91 -0.02 0.00 0.80 0.00 0.00 33.01 32.78 1vgf s GLN 1120CO 0.07 -0.58 0.85 0.12 -0.50 0.00 0.00 175.29 175.26 1vgf s PHE 1121N 2.36 3.46 -0.17 1.67 5.36 -1.26 -1.49 117.98 127.90 1vgf s PHE 1121Ca 0.06 0.80 -0.31 0.00 -0.96 0.00 0.00 56.93 56.53 1vgf s PHE 1121Cb -0.15 -2.50 0.14 0.00 -0.34 0.00 0.00 43.02 40.17 1vgf s PHE 1121CO -0.12 -0.51 1.11 1.21 -1.46 0.00 0.00 175.22 175.45 1vgf s ASN 1122N -4.19 -0.24 -0.01 6.13 2.47 -1.02 -4.98 114.94 113.10 1vgf s ASN 1122Ca 0.50 0.18 0.05 0.00 0.42 0.00 0.00 52.86 54.02 1vgf s ASN 1122Cb -0.10 0.22 -0.01 0.00 -1.45 0.00 0.00 41.25 39.90 1vgf s ASN 1122CO 0.46 -0.29 -0.18 0.42 -3.72 0.00 0.00 177.10 173.80 1vgf s THR 1123N -1.64 1.38 -0.19 -5.21 -4.23 -1.26 -1.88 115.64 102.62 1vgf s THR 1123Ca 0.04 -0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1vgf s THR 1123Cb -0.01 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1vgf s THR 1123CO -0.03 0.37 0.50 0.21 -0.54 0.00 0.00 174.62 175.12 1vgf s ASN 1124N -0.47 6.56 0.00 3.99 3.84 0.02 -4.99 114.94 123.89 1vgf s ASN 1124Ca 0.07 0.67 0.00 0.00 0.21 0.00 0.00 52.86 53.81 1vgf s ASN 1124Cb -0.07 -2.28 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1vgf s ASN 1124CO -0.00 -0.14 0.88 0.59 -2.79 0.00 0.00 177.10 175.63 1vgf n ASN 1125N 4.60 0.00 0.01 -4.21 4.13 -1.26 -2.24 115.26 116.29 1vgf n ASN 1125Ca -0.05 0.88 -0.00 0.00 1.68 0.00 0.00 54.58 57.08 1vgf n ASN 1125Cb 0.51 -0.38 -0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1vgf n ASN 1125CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1vgf h VAL 1126N 0.00 0.00 -0.27 2.41 -1.51 -1.98 -3.19 116.25 111.72 1vgf h VAL 1126Ca 0.00 -0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.54 1vgf h VAL 1126Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1vgf h VAL 1126CO 0.00 0.00 0.88 0.11 -1.23 0.00 0.00 177.57 177.33 1vgf h LYS 1127N -0.03 0.00 -4.00 5.19 1.57 -2.01 -3.44 116.57 113.85 1vgf h LYS 1127Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1vgf h LYS 1127Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.35 1vgf h LYS 1127CO 0.00 0.00 -0.57 1.63 -0.57 0.00 0.00 179.45 179.95 1vgf n LYS 1128N -2.83 -3.58 -2.36 3.15 4.76 -0.95 -4.98 118.16 111.37 1vgf n LYS 1128Ca 0.06 0.91 -0.04 0.00 -2.87 0.00 0.00 58.31 56.36 1vgf n LYS 1128Cb 0.98 -5.68 -0.01 0.00 -1.84 0.00 0.00 35.03 28.48 1vgf n LYS 1128CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1vgf n ASN 1129N -2.30 1.37 -3.10 4.39 6.94 -1.25 -4.01 115.26 117.29 1vgf n ASN 1129Ca -0.16 -1.31 -0.15 0.00 -0.02 0.00 0.00 54.58 52.94 1vgf n ASN 1129Cb 0.64 0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 38.14 1vgf n ASN 1129CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1vgf s SER 1130N -1.37 1.03 0.23 0.53 1.04 -1.00 -0.80 113.70 113.36 1vgf s SER 1130Ca 0.02 -1.54 -0.18 0.00 0.48 0.00 0.00 55.95 54.73 1vgf s SER 1130Cb 0.00 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1vgf s SER 1130CO 0.01 -1.35 0.58 -0.94 0.98 0.00 0.00 173.24 172.52 1vgf s SER 1131N -3.26 -0.26 -0.02 7.02 1.04 -0.79 -2.30 113.70 115.14 1vgf s SER 1131Ca 0.30 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 1vgf s SER 1131Cb -0.01 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1vgf s SER 1131CO 0.22 -1.15 0.03 0.26 0.98 0.00 0.00 173.24 173.57 1vgf s TRP 1132N -3.90 0.05 -0.20 5.02 0.52 -0.12 -2.43 118.94 117.88 1vgf s TRP 1132Ca 0.11 0.13 -0.12 0.00 0.02 0.00 0.00 56.10 56.25 1vgf s TRP 1132Cb -0.02 -0.27 -0.05 0.00 -1.15 0.00 0.00 33.47 31.98 1vgf s TRP 1132CO 0.01 -0.10 0.20 -2.00 0.02 0.00 0.00 176.95 175.08 1vgf s GLU 1133N 1.17 4.17 -0.26 4.98 2.12 -0.56 -1.32 118.70 129.00 1vgf s GLU 1133Ca -0.08 -0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 1vgf s GLU 1133Cb -0.13 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 30.82 1vgf s GLU 1133CO -0.03 0.18 -0.05 -0.47 -0.54 0.00 0.00 175.26 174.35 1vgf s TYR 1134N 0.70 3.09 -0.24 5.30 5.04 0.16 -1.39 117.35 130.01 1vgf s TYR 1134Ca 0.11 -1.54 -0.10 0.00 -2.44 0.00 0.00 57.07 53.09 1vgf s TYR 1134Cb -0.13 -2.07 -0.05 0.00 0.35 0.00 0.00 41.96 40.06 1vgf s TYR 1134CO 0.02 -0.73 0.15 1.03 -1.34 0.00 0.00 175.55 174.68 1vgf s ARG 1135N 1.33 4.00 -0.02 4.97 0.52 0.00 -0.74 118.95 129.02 1vgf s ARG 1135Ca -0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1vgf s ARG 1135Cb -0.17 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1vgf s ARG 1135CO -0.04 0.01 0.02 0.54 0.02 0.00 0.00 175.30 175.86 1vgf s VAL 1136N 1.17 -0.02 -0.38 3.52 0.11 -0.13 -1.53 120.40 123.15 1vgf s VAL 1136Ca 0.07 0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1vgf s VAL 1136Cb -0.14 -0.09 0.07 0.00 -1.53 0.00 0.00 36.38 34.69 1vgf s VAL 1136CO 0.05 0.08 0.16 -0.22 -3.33 0.00 0.00 175.10 171.84 1vgf s LEU 1137N 0.86 4.75 -0.26 2.54 0.20 -0.34 -1.29 118.68 125.14 1vgf s LEU 1137Ca -0.07 -1.50 -0.14 0.00 0.69 0.00 0.00 54.13 53.10 1vgf s LEU 1137Cb -0.11 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1vgf s LEU 1137CO -0.02 -0.44 0.35 0.12 -0.29 0.00 0.00 176.35 176.07 1vgf s PHE 1138N 1.32 3.26 -0.09 5.38 2.19 -0.98 -1.60 117.98 127.46 1vgf s PHE 1138Ca 0.02 0.40 0.03 0.00 0.33 0.00 0.00 56.93 57.70 1vgf s PHE 1138Cb -0.22 -2.54 0.01 0.00 -1.31 0.00 0.00 43.02 38.97 1vgf s PHE 1138CO 0.00 -0.19 -0.17 -1.12 1.83 0.00 0.00 175.22 175.58 1vgf s SER 1139N 1.56 2.38 0.12 6.13 0.01 -0.19 -0.31 113.70 123.39 1vgf s SER 1139Ca 0.14 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1vgf s SER 1139Cb -0.16 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 1vgf s SER 1139CO 0.10 0.07 0.10 0.68 0.41 0.00 0.00 173.24 174.60 1vgf s VAL 1140N 0.64 0.12 0.50 3.43 -7.23 -1.13 -1.78 120.40 114.95 1vgf s VAL 1140Ca -0.14 -1.70 -0.22 0.00 -1.81 0.00 0.00 61.98 58.11 1vgf s VAL 1140Cb -0.16 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 1vgf s VAL 1140CO 0.04 -0.55 1.23 -2.84 -0.31 0.00 0.00 175.10 172.67 1vgf s PRO 1141N -3.99 3.47 0.14 4.82 0.02 -1.26 -0.57 135.00 137.64 1vgf s PRO 1141Ca 0.17 1.92 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 1vgf s PRO 1141Cb 0.06 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 1vgf s PRO 1141CO -0.02 -0.83 1.53 0.35 -0.33 0.00 0.00 177.00 177.70 1vgf h PHE 1142N 1.72 1.01 0.00 6.54 3.04 -1.12 -3.43 116.94 124.70 1vgf h PHE 1142Ca -0.50 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.21 1vgf h PHE 1142Cb 1.27 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1vgf h PHE 1142CO 0.50 1.02 0.00 0.41 -2.02 0.00 0.00 178.31 178.22 1vgf n GLY 1143N -0.13 2.87 0.30 2.40 0.00 -1.26 -4.97 105.19 104.40 1vgf n GLY 1143Ca -0.01 -1.16 0.19 0.00 0.00 0.00 0.00 46.02 45.04 1vgf n GLY 1143CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vgf h ASP 1144N 0.00 0.00 -0.04 1.61 3.45 -1.96 -2.39 116.42 117.09 1vgf h ASP 1144Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 1vgf h ASP 1144Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1vgf h ASP 1144CO 0.00 0.02 -0.21 0.78 -1.57 0.00 0.00 179.24 178.26 1vgf h ASN 1145N 0.00 0.43 -2.18 6.45 4.21 -2.01 -3.31 115.58 119.17 1vgf h ASN 1145Ca -0.00 -0.13 -0.59 0.00 1.21 0.00 0.00 56.30 56.79 1vgf h ASN 1145Cb 0.25 -0.11 -0.42 0.00 -1.12 0.00 0.00 38.32 36.92 1vgf h ASN 1145CO 0.00 0.65 -0.65 0.00 -1.29 0.00 0.00 177.43 176.14 1vgf n ALA 1146N -2.48 3.95 -0.30 -0.83 0.00 -0.90 -4.98 120.51 114.96 1vgf n ALA 1146Ca -0.00 -4.63 0.03 0.00 0.00 0.00 0.00 53.44 48.83 1vgf n ALA 1146Cb 0.37 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 19.02 1vgf n ALA 1146CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vgf n PRO 1147N 0.81 -0.12 -0.18 0.00 -0.02 -1.24 -0.98 135.00 133.26 1vgf n PRO 1147Ca 0.29 1.28 0.03 0.00 -2.02 0.00 0.00 63.50 63.08 1vgf n PRO 1147Cb 0.42 -1.91 0.10 0.00 -0.02 0.00 0.00 33.50 32.10 1vgf n PRO 1147CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vgf n SER 1148N -5.29 1.74 -4.36 2.55 3.41 -1.26 -4.85 113.62 105.56 1vgf n SER 1148Ca 0.11 -2.14 -0.32 0.00 -0.26 0.00 0.00 58.87 56.26 1vgf n SER 1148Cb 0.38 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1vgf n SER 1148CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1vgf s TYR 1149N -1.60 2.61 0.15 7.33 2.02 -0.16 0.91 117.35 128.62 1vgf s TYR 1149Ca 0.14 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1vgf s TYR 1149Cb 0.09 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1vgf s TYR 1149CO 0.07 -0.09 0.00 -0.59 -1.57 0.00 0.00 175.55 173.37 1vgf s PHE 1150N -0.22 1.09 0.21 2.71 -0.71 0.69 -0.58 117.98 121.17 1vgf s PHE 1150Ca -0.00 -1.04 -0.02 0.00 -1.04 0.00 0.00 56.93 54.83 1vgf s PHE 1150Cb -0.13 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1vgf s PHE 1150CO 0.03 -0.26 0.41 0.71 -1.34 0.00 0.00 175.22 174.78 1vgf s TYR 1151N -3.72 3.48 -0.08 3.49 2.02 0.27 -0.05 117.35 122.75 1vgf s TYR 1151Ca 0.22 0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 57.30 1vgf s TYR 1151Cb 0.06 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1vgf s TYR 1151CO 0.02 0.35 0.04 -1.12 -1.57 0.00 0.00 175.55 173.27 1vgf s SER 1152N -3.10 1.63 -0.76 2.29 0.01 0.12 -2.85 113.70 111.04 1vgf s SER 1152Ca 0.39 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.38 1vgf s SER 1152Cb -0.11 -0.31 0.20 0.00 0.21 0.00 0.00 66.02 66.01 1vgf s SER 1152CO 0.29 -0.25 0.68 -0.76 0.41 0.00 0.00 173.24 173.61 1vgf s LEU 1153N 2.06 6.44 -0.34 2.44 1.43 0.58 -0.62 118.68 130.66 1vgf s LEU 1153Ca 0.04 -2.62 -0.29 0.00 -1.03 0.00 0.00 54.13 50.23 1vgf s LEU 1153Cb -0.13 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1vgf s LEU 1153CO -0.05 -0.57 1.46 -0.69 0.23 0.00 0.00 176.35 176.73 1vgf s VAL 1154N 0.28 3.88 -0.01 -1.59 1.01 -0.48 -2.31 120.40 121.18 1vgf s VAL 1154Ca 0.16 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1vgf s VAL 1154Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1vgf s VAL 1154CO -0.07 -0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 173.36 1vgf s THR 1155N 5.26 1.74 -0.05 3.92 2.01 -0.41 -1.36 115.64 126.75 1vgf s THR 1155Ca 0.64 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1vgf s THR 1155Cb -0.17 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1vgf s THR 1155CO 0.30 0.47 -0.13 0.42 -0.69 0.00 0.00 174.62 174.99 1vgf s THR 1156N -0.54 1.11 -0.19 -0.82 -4.23 0.57 -0.95 115.64 110.58 1vgf s THR 1156Ca 0.08 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1vgf s THR 1156Cb -0.09 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.81 1vgf s THR 1156CO -0.01 0.34 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.70 1vgf s ILE 1157N 0.35 1.46 -0.31 2.99 1.01 0.09 -0.84 121.20 125.94 1vgf s ILE 1157Ca -0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1vgf s ILE 1157Cb -0.12 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1vgf s ILE 1157CO 0.02 0.14 0.10 -0.22 0.00 0.00 0.00 174.94 174.99 1vgf s LEU 1158N 1.48 4.02 -0.13 2.97 2.96 0.54 0.41 118.68 130.93 1vgf s LEU 1158Ca -0.01 -0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 1vgf s LEU 1158Cb -0.16 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1vgf s LEU 1158CO -0.08 -0.23 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.04 1vgf s ILE 1159N 1.50 3.78 0.01 6.68 1.01 -0.44 -0.97 121.20 132.76 1vgf s ILE 1159Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1vgf s ILE 1159Cb -0.18 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1vgf s ILE 1159CO 0.03 0.52 -0.22 -0.89 0.00 0.00 0.00 174.94 174.39 1vgf s THR 1160N 0.05 1.72 0.17 2.92 2.01 -0.06 -0.94 115.64 121.51 1vgf s THR 1160Ca -0.01 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 1vgf s THR 1160Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1vgf s THR 1160CO 0.03 0.39 0.28 0.00 -0.69 0.00 0.00 174.62 174.63 1vgf s ALA 1161N -0.61 0.03 -1.42 7.40 0.00 -0.97 1.00 121.76 127.18 1vgf s ALA 1161Ca 0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1vgf s ALA 1161Cb -0.09 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1vgf s ALA 1161CO 0.00 -0.65 2.11 -0.40 0.00 0.00 0.00 175.76 176.83 1vgf n ASP 1162N -0.22 4.14 -3.72 0.00 5.75 -1.20 -2.97 116.55 118.33 1vgf n ASP 1162Ca -0.07 -2.87 -0.23 0.00 -0.01 0.00 0.00 54.79 51.61 1vgf n ASP 1162Cb 0.63 -1.67 -0.17 0.00 -1.03 0.00 0.00 41.12 38.88 1vgf n ASP 1162CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1vgf s ILE 1163N 3.21 0.22 -0.03 2.12 1.01 -1.26 -4.91 121.20 121.56 1vgf s ILE 1163Ca 0.48 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 1vgf s ILE 1163Cb 0.12 -0.51 -0.08 0.00 0.01 0.00 0.00 42.46 42.00 1vgf s ILE 1163CO -0.05 0.12 0.63 -0.33 0.00 0.00 0.00 174.94 175.30 1vgf h GLU 1164N 8.35 -0.50 -6.91 2.79 5.08 -1.88 -2.65 114.58 118.88 1vgf h GLU 1164Ca -0.17 0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 57.76 1vgf h GLU 1164Cb 1.13 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1vgf h GLU 1164CO 0.25 -0.33 0.26 -1.21 -1.00 0.00 0.00 179.01 176.98 1vgf s GLU 1165N -3.24 4.25 0.19 2.33 0.41 -1.26 -4.74 118.70 116.63 1vgf s GLU 1165Ca -0.08 1.03 -0.12 0.00 -0.41 0.00 0.00 54.97 55.40 1vgf s GLU 1165Cb 0.01 -2.42 0.11 0.00 -1.78 0.00 0.00 34.13 30.06 1vgf s GLU 1165CO 0.23 0.11 1.83 -0.22 -0.49 0.00 0.00 175.26 176.71 1vgf h LYS 1166N 2.36 0.90 0.00 1.61 3.64 -1.97 -0.81 116.57 122.30 1vgf h LYS 1166Ca -0.48 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1vgf h LYS 1166Cb 1.18 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1vgf h LYS 1166CO 0.63 0.65 0.00 1.79 -2.27 0.00 0.00 179.45 180.25 1vgf h THR 1167N 0.90 0.00 0.00 1.00 1.35 -1.98 -0.46 112.91 113.72 1vgf h THR 1167Ca 0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1vgf h THR 1167Cb -0.02 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1vgf h THR 1167CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1vgf n GLY 1168N -1.06 -0.82 0.29 5.82 0.00 -0.31 -1.97 105.19 107.13 1vgf n GLY 1168Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1vgf n GLY 1168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vgf n TRP 1169N -1.40 0.00 -2.31 1.61 7.02 -0.18 -4.95 117.44 117.22 1vgf n TRP 1169Ca 0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 1vgf n TRP 1169Cb 0.12 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.00 1vgf n TRP 1169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1vgf s TRP 1170N -2.66 2.97 -1.59 -5.99 0.23 -0.83 -3.84 118.94 107.23 1vgf s TRP 1170Ca 0.14 1.55 -0.00 0.00 -2.03 0.00 0.00 56.10 55.75 1vgf s TRP 1170Cb 0.17 -3.06 0.00 0.00 0.03 0.00 0.00 33.47 30.61 1vgf s TRP 1170CO 0.69 -1.00 0.04 0.41 0.96 0.00 0.00 176.95 178.05 1vgf n GLY 1171N -0.54 -0.40 3.75 0.98 0.00 -1.26 -4.99 105.19 102.73 1vgf n GLY 1171Ca 0.09 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1vgf n GLY 1171CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vgf s LEU 1172N -5.44 4.61 0.47 0.99 1.02 -1.25 -5.02 118.68 114.05 1vgf s LEU 1172Ca 0.02 1.97 0.03 0.00 0.02 0.00 0.00 54.13 56.17 1vgf s LEU 1172Cb -0.01 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.56 1vgf s LEU 1172CO 0.03 0.07 0.02 0.42 0.02 0.00 0.00 176.35 176.91 1vgf s THR 1173N -0.97 1.28 0.14 5.49 -4.23 -1.26 -4.35 115.64 111.74 1vgf s THR 1173Ca 0.43 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.27 1vgf s THR 1173Cb -0.27 -2.40 0.34 0.00 1.34 0.00 0.00 72.50 71.52 1vgf s THR 1173CO 0.33 0.00 2.00 -1.28 -0.54 0.00 0.00 174.62 175.13 1vgf h SER 1174N 1.53 0.00 0.74 3.99 0.87 -1.94 -1.61 113.55 117.14 1vgf h SER 1174Ca -0.43 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1vgf h SER 1174Cb 1.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1vgf h SER 1174CO 0.73 0.00 -1.32 -1.20 -0.53 0.00 0.00 176.83 174.51 1vgf n SER 1175N -2.72 0.75 -4.67 6.23 7.64 -1.26 -1.80 113.62 117.80 1vgf n SER 1175Ca -0.01 0.31 -0.49 0.00 1.01 0.00 0.00 58.87 59.69 1vgf n SER 1175Cb 0.13 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 1vgf n SER 1175CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1vgf n THR 1176N -2.74 0.53 -3.96 0.44 -1.04 -0.61 -4.66 114.28 102.24 1vgf n THR 1176Ca -0.06 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 1vgf n THR 1176Cb 0.70 -1.81 -0.08 0.00 -1.82 0.00 0.00 70.33 67.32 1vgf n THR 1176CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1vgf s LYS 1177N 4.23 3.74 0.26 -2.82 2.20 -1.26 -1.27 119.74 124.82 1vgf s LYS 1177Ca 0.95 -0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 56.17 1vgf s LYS 1177Cb -0.74 -3.19 -0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1vgf s LYS 1177CO 0.53 0.48 0.50 0.15 -0.36 0.00 0.00 175.35 176.65 1vgf s LYS 1178N -0.19 1.61 -1.07 4.03 -0.14 -0.11 -4.95 119.74 118.92 1vgf s LYS 1178Ca 0.09 -1.28 -0.17 0.00 -1.36 0.00 0.00 55.97 53.24 1vgf s LYS 1178Cb -0.12 0.48 0.14 0.00 -1.68 0.00 0.00 37.83 36.65 1vgf s LYS 1178CO 0.01 -0.67 1.31 1.21 -0.76 0.00 0.00 175.35 176.45 1vgf s ASN 1179N -3.03 6.81 0.06 2.83 2.47 -1.26 -0.80 114.94 122.02 1vgf s ASN 1179Ca 0.22 -2.40 -0.20 0.00 0.42 0.00 0.00 52.86 50.90 1vgf s ASN 1179Cb -0.01 -2.42 -0.06 0.00 -1.45 0.00 0.00 41.25 37.30 1vgf s ASN 1179CO 0.10 -0.98 0.59 -0.36 -3.72 0.00 0.00 177.10 172.73 1vgf s PHE 1180N 2.52 3.79 0.03 0.43 0.08 -1.05 -3.25 117.98 120.52 1vgf s PHE 1180Ca 0.39 1.28 0.07 0.00 0.12 0.00 0.00 56.93 58.79 1vgf s PHE 1180Cb -0.03 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1vgf s PHE 1180CO -0.05 0.53 -0.19 0.00 -0.10 0.00 0.00 175.22 175.41 1vgf s ALA 1181N -0.90 2.53 -0.01 5.36 0.00 0.28 -0.56 121.76 128.46 1vgf s ALA 1181Ca 0.30 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1vgf s ALA 1181Cb -0.19 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1vgf s ALA 1181CO 0.19 0.56 -0.00 0.08 0.00 0.00 0.00 175.76 176.59 1vgf s VAL 1182N -0.88 0.10 -0.14 0.00 1.01 -1.13 -0.88 120.40 118.48 1vgf s VAL 1182Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1vgf s VAL 1182Cb -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1vgf s VAL 1182CO 0.04 0.08 -0.04 -1.58 0.00 0.00 0.00 175.10 173.60 1vgf s GLN 1183N 0.50 1.22 -0.10 2.72 0.74 -0.14 0.65 119.66 125.25 1vgf s GLN 1183Ca -0.05 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1vgf s GLN 1183Cb -0.07 -1.73 -0.02 0.00 1.10 0.00 0.00 33.01 32.29 1vgf s GLN 1183CO -0.01 -0.39 -0.12 0.42 -0.55 0.00 0.00 175.29 174.64 1vgf s ILE 1184N 1.74 3.23 -0.09 -2.34 1.01 0.21 -0.34 121.20 124.62 1vgf s ILE 1184Ca 0.02 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1vgf s ILE 1184Cb -0.14 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1vgf s ILE 1184CO -0.07 0.55 -0.08 -1.81 0.00 0.00 0.00 174.94 173.52 1vgf s ASP 1185N -0.11 1.86 -0.06 3.58 1.11 -0.02 -0.45 116.67 122.59 1vgf s ASP 1185Ca -0.01 -0.27 -0.02 0.00 0.18 0.00 0.00 52.55 52.43 1vgf s ASP 1185Cb -0.14 -0.76 0.04 0.00 1.07 0.00 0.00 42.92 43.13 1vgf s ASP 1185CO 0.03 -0.07 0.11 0.00 1.18 0.00 0.00 175.17 176.43 1vgf s ALA 1186N 1.29 -0.09 -0.17 5.23 0.00 0.74 -0.32 121.76 128.44 1vgf s ALA 1186Ca -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1vgf s ALA 1186Cb -0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1vgf s ALA 1186CO -0.03 -0.31 -0.13 -1.17 0.00 0.00 0.00 175.76 174.12 1vgf s LEU 1187N 1.63 2.57 -0.25 0.00 0.20 -0.47 0.23 118.68 122.60 1vgf s LEU 1187Ca -0.03 -0.45 -0.14 0.00 0.69 0.00 0.00 54.13 54.19 1vgf s LEU 1187Cb -0.12 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1vgf s LEU 1187CO -0.05 0.06 0.34 -0.70 -0.29 0.00 0.00 176.35 175.71 1vgf s GLU 1188N 0.98 4.05 0.04 1.98 2.12 0.12 -1.38 118.70 126.60 1vgf s GLU 1188Ca -0.02 0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.37 1vgf s GLU 1188Cb -0.15 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 1vgf s GLU 1188CO -0.02 -0.18 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.88 1vgf s LEU 1189N 1.77 2.84 -0.31 2.70 1.43 0.21 -1.60 118.68 125.72 1vgf s LEU 1189Ca 0.14 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1vgf s LEU 1189Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1vgf s LEU 1189CO 0.09 0.25 0.13 -0.69 0.23 0.00 0.00 176.35 176.36 1vgf s VAL 1190N -0.99 4.30 -0.04 -1.59 1.01 -0.57 -0.70 120.40 121.82 1vgf s VAL 1190Ca 0.16 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1vgf s VAL 1190Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1vgf s VAL 1190CO 0.07 0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.42 1vgf s VAL 1191N 1.55 3.50 0.00 2.92 1.01 0.93 -1.70 120.40 128.61 1vgf s VAL 1191Ca 0.03 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1vgf s VAL 1191Cb -0.17 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1vgf s VAL 1191CO 0.05 0.52 0.03 -0.75 0.00 0.00 0.00 175.10 174.95 1vgf s LYS 1192N -1.01 2.89 0.08 2.72 2.20 0.50 -0.23 119.74 126.90 1vgf s LYS 1192Ca 0.14 -0.57 -0.36 0.00 -0.36 0.00 0.00 55.97 54.82 1vgf s LYS 1192Cb -0.11 -2.74 -0.15 0.00 -1.51 0.00 0.00 37.83 33.31 1vgf s LYS 1192CO 0.03 0.63 1.47 1.17 -0.36 0.00 0.00 175.35 178.29 1vgf n LYS 1193N 1.28 1.54 0.00 4.03 4.81 0.26 -2.21 118.16 127.87 1vgf n LYS 1193Ca -0.14 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1vgf n LYS 1193Cb 0.53 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1vgf n LYS 1193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vgf n GLY 1194N 3.01 0.87 3.77 3.14 0.00 -1.26 -5.04 105.19 109.68 1vgf n GLY 1194Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1vgf n GLY 1194CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vgf s PHE 1195N -2.00 3.22 -0.04 1.61 5.36 -0.94 -5.00 117.98 120.19 1vgf s PHE 1195Ca 0.00 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1vgf s PHE 1195Cb 0.00 -3.42 0.02 0.00 -0.34 0.00 0.00 43.02 39.29 1vgf s PHE 1195CO 0.00 -1.19 -0.02 0.15 -1.46 0.00 0.00 175.22 172.70 1vgf s LYS 1196N -1.93 0.56 0.28 10.12 1.02 -1.26 -4.60 119.74 123.93 1vgf s LYS 1196Ca 0.51 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 1vgf s LYS 1196Cb -0.33 -0.68 -0.10 0.00 -0.52 0.00 0.00 37.83 36.20 1vgf s LYS 1196CO 0.42 -0.13 1.41 0.00 -0.92 0.00 0.00 175.35 176.14 1vgf s ALA 1197N 1.07 3.59 -2.00 5.17 0.00 -1.26 -5.09 121.76 123.24 1vgf s ALA 1197Ca -0.09 1.33 0.19 0.00 0.00 0.00 0.00 51.96 53.39 1vgf s ALA 1197Cb -0.14 -3.54 1.15 0.00 0.00 0.00 0.00 23.12 20.59 1vgf s ALA 1197CO -0.01 -0.74 1.54 -0.35 0.00 0.00 0.00 175.76 176.20