#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8a s SER 1004N 0.00 -0.27 0.04 4.39 0.15 -1.26 -4.54 113.70 112.21 2i8a s SER 1004Ca 0.00 0.53 0.28 0.00 0.70 0.00 0.00 55.95 57.46 2i8a s SER 1004Cb 0.00 0.43 1.13 0.00 -1.71 0.00 0.00 66.02 65.88 2i8a s SER 1004CO 0.00 -0.15 1.88 0.47 1.20 0.00 0.00 173.24 176.64 2i8a n ASP 1005N 4.01 0.15 -4.17 5.45 8.00 0.36 -4.91 116.55 125.44 2i8a n ASP 1005Ca -0.23 0.51 -0.12 0.00 0.71 0.00 0.00 54.79 55.67 2i8a n ASP 1005Cb 0.54 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 2i8a n ASP 1005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2i8a s VAL 1006N -3.02 0.77 0.16 2.53 -7.23 -1.24 -5.05 120.40 107.32 2i8a s VAL 1006Ca 0.13 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2i8a s VAL 1006Cb 0.17 -1.56 -0.11 0.00 0.56 0.00 0.00 36.38 35.45 2i8a s VAL 1006CO 0.53 -0.77 1.42 0.15 -0.31 0.00 0.00 175.10 176.11 2i8a h PHE 1007N 3.17 0.73 0.00 2.82 3.57 -1.95 -3.39 116.94 121.89 2i8a h PHE 1007Ca -0.36 -0.31 -0.25 0.00 3.53 0.00 0.00 57.97 60.58 2i8a h PHE 1007Cb 1.17 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 2i8a h PHE 1007CO 0.61 1.08 -1.96 0.72 -2.23 0.00 0.00 178.31 176.52 2i8a n HIS 1008N -3.89 0.00 0.19 0.41 8.25 -1.26 -4.74 115.22 114.17 2i8a n HIS 1008Ca -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.50 2i8a n HIS 1008Cb 0.69 -0.67 0.11 0.00 1.12 0.00 0.00 29.99 31.25 2i8a n HIS 1008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2i8a h LEU 1009N 0.00 0.00 0.96 2.41 3.38 -1.93 -3.44 115.31 116.69 2i8a h LEU 1009Ca -0.38 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.38 2i8a h LEU 1009Cb 1.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.49 2i8a h LEU 1009CO -0.02 0.15 -0.30 0.61 0.09 0.00 0.00 178.44 178.97 2i8a n GLY 1010N 1.15 -0.02 3.42 0.83 0.00 -1.26 -4.75 105.19 104.54 2i8a n GLY 1010Ca 0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 2i8a n GLY 1010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 1011N -3.43 2.44 0.32 0.99 1.43 -1.26 -4.79 118.68 114.38 2i8a s LEU 1011Ca 0.07 -0.87 0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2i8a s LEU 1011Cb -0.03 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2i8a s LEU 1011CO 0.09 0.10 -0.04 0.42 0.23 0.00 0.00 176.35 177.15 2i8a s THR 1012N -1.76 2.62 0.28 5.49 -4.23 -1.26 -0.49 115.64 116.29 2i8a s THR 1012Ca 0.21 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2i8a s THR 1012Cb -0.08 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.34 2i8a s THR 1012CO 0.10 -0.25 1.89 0.11 -0.54 0.00 0.00 174.62 175.93 2i8a h LYS 1013N 1.93 1.10 -0.97 3.99 1.57 -1.97 -1.76 116.57 120.46 2i8a h LYS 1013Ca -0.42 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2i8a h LYS 1013Cb 1.25 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.24 2i8a h LYS 1013CO 0.66 0.72 0.62 -0.97 -0.57 0.00 0.00 179.45 179.91 2i8a h ASN 1014N 1.13 0.90 -0.41 0.86 -1.24 -1.96 -1.55 115.58 113.31 2i8a h ASN 1014Ca 0.42 0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.58 2i8a h ASN 1014Cb 0.18 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 2i8a h ASN 1014CO -0.16 0.51 0.31 0.44 -1.29 0.00 0.00 177.43 177.24 2i8a h ASP 1015N 0.98 0.00 1.74 1.15 3.45 -1.72 -2.37 116.42 119.66 2i8a h ASP 1015Ca 0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.92 2i8a h ASP 1015Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2i8a h ASP 1015CO -0.22 0.00 -0.25 -0.07 -1.57 0.00 0.00 179.24 177.13 2i8a h LEU 1016N 0.00 0.00 -1.34 1.55 4.07 -1.31 -3.48 115.31 114.80 2i8a h LEU 1016Ca 0.19 -0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.61 2i8a h LEU 1016Cb 0.82 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.39 2i8a h LEU 1016CO -0.00 0.00 -0.85 0.00 -1.08 0.00 0.00 178.44 176.51 2i8a n GLN 1017N -2.99 -3.13 -0.75 1.13 6.02 -0.89 -1.02 117.38 115.75 2i8a n GLN 1017Ca 0.03 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2i8a n GLN 1017Cb 0.53 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.90 2i8a n GLN 1017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i8a n GLY 1018N -1.60 0.80 3.65 1.08 0.00 -1.26 -4.65 105.19 103.20 2i8a n GLY 1018Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 2i8a n GLY 1018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a n ALA 1019N 0.25 0.59 -0.13 4.61 0.00 -0.19 -4.91 120.51 120.73 2i8a n ALA 1019Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2i8a n ALA 1019Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 2i8a n ALA 1019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i8a n GLN 1020N 1.81 -0.87 -4.87 0.00 6.02 -1.26 -4.41 117.38 113.80 2i8a n GLN 1020Ca 0.12 -0.44 -0.26 0.00 -0.01 0.00 0.00 57.00 56.42 2i8a n GLN 1020Cb 0.30 -0.94 -0.16 0.00 1.02 0.00 0.00 30.24 30.47 2i8a n GLN 1020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2i8a s LEU 1021N -0.00 1.99 -0.02 1.08 0.20 -1.26 -0.58 118.68 120.09 2i8a s LEU 1021Ca 0.00 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.53 2i8a s LEU 1021Cb 0.00 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.79 2i8a s LEU 1021CO 0.00 0.20 -0.18 0.00 -0.29 0.00 0.00 176.35 176.08 2i8a s ALA 1022N -0.25 1.53 -0.21 5.97 0.00 0.01 -2.02 121.76 126.78 2i8a s ALA 1022Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2i8a s ALA 1022Cb -0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2i8a s ALA 1022CO 0.00 0.34 0.24 0.42 0.00 0.00 0.00 175.76 176.77 2i8a s ILE 1023N -0.26 5.31 -0.52 0.00 1.01 0.18 -1.14 121.20 125.79 2i8a s ILE 1023Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.10 2i8a s ILE 1023Cb -0.09 -3.58 0.14 0.00 0.01 0.00 0.00 42.46 38.95 2i8a s ILE 1023CO 0.00 0.34 0.30 0.68 0.00 0.00 0.00 174.94 176.26 2i8a s VAL 1024N 0.96 2.03 0.71 2.92 -7.23 0.66 -1.42 120.40 119.02 2i8a s VAL 1024Ca 0.12 -3.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.02 2i8a s VAL 1024Cb -0.13 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2i8a s VAL 1024CO 0.04 -0.91 1.07 -2.16 -0.31 0.00 0.00 175.10 172.84 2i8a s PRO 1025N -0.24 2.83 0.02 4.82 0.04 -1.25 -3.36 135.00 137.87 2i8a s PRO 1025Ca 0.20 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 2i8a s PRO 1025Cb -0.19 -1.99 -0.28 0.00 0.04 0.00 0.00 34.50 32.08 2i8a s PRO 1025CO -0.04 -1.13 1.06 0.78 0.04 0.00 0.00 177.00 177.71 2i8a h GLY 1026N -0.74 0.57 -6.04 0.56 0.00 -1.83 -1.23 103.07 94.37 2i8a h GLY 1026Ca -0.45 -1.17 -0.60 0.00 0.00 0.00 0.00 47.33 45.12 2i8a h GLY 1026CO 0.59 1.03 0.16 -0.35 0.00 0.00 0.00 176.54 177.96 2i8a s ASP 1027N -7.14 6.68 0.54 0.19 3.68 -1.26 -1.18 116.67 118.18 2i8a s ASP 1027Ca -0.11 0.83 0.25 0.00 2.13 0.00 0.00 52.55 55.66 2i8a s ASP 1027Cb 0.04 -2.36 1.44 0.00 -1.45 0.00 0.00 42.92 40.59 2i8a s ASP 1027CO 0.88 -0.31 2.02 1.55 0.13 0.00 0.00 175.17 179.44 2i8a h PRO 1028N 7.56 0.00 0.00 4.34 0.13 -1.88 -0.81 132.00 141.35 2i8a h PRO 1028Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2i8a h PRO 1028Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2i8a h PRO 1028CO 0.78 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.48 2i8a h GLU 1029N 0.00 0.00 0.00 0.86 5.08 -1.96 -2.82 114.58 115.74 2i8a h GLU 1029Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2i8a h GLU 1029Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2i8a h GLU 1029CO -0.00 0.00 -0.03 -0.09 -1.00 0.00 0.00 179.01 177.89 2i8a h ARG 1030N 0.00 0.00 -0.18 2.33 2.43 -1.55 -3.38 114.38 114.02 2i8a h ARG 1030Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2i8a h ARG 1030Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2i8a h ARG 1030CO 0.00 0.00 0.06 0.28 -1.51 0.00 0.00 179.97 178.80 2i8a h VAL 1031N 0.00 1.19 -0.52 0.20 2.07 -1.59 -1.74 116.25 115.85 2i8a h VAL 1031Ca 0.00 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2i8a h VAL 1031Cb 0.78 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2i8a h VAL 1031CO 0.00 0.18 0.15 -0.08 0.02 0.00 0.00 177.57 177.84 2i8a h GLU 1032N 0.12 0.78 -0.46 1.57 4.81 -1.77 -1.26 114.58 118.37 2i8a h GLU 1032Ca 0.06 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2i8a h GLU 1032Cb 0.23 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2i8a h GLU 1032CO -0.00 0.69 0.03 0.87 -0.73 0.00 0.00 179.01 179.87 2i8a h LYS 1033N 0.76 0.79 -0.35 1.92 1.57 -1.69 -1.60 116.57 117.98 2i8a h LYS 1033Ca 0.17 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2i8a h LYS 1033Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2i8a h LYS 1033CO -0.01 0.83 -0.14 0.82 -0.57 0.00 0.00 179.45 180.38 2i8a h ILE 1034N 0.65 1.28 0.00 1.86 2.04 -1.14 -2.92 117.51 119.28 2i8a h ILE 1034Ca 0.13 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2i8a h ILE 1034Cb 0.46 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2i8a h ILE 1034CO 0.02 0.41 -0.08 0.00 0.00 0.00 0.00 178.15 178.49 2i8a h ALA 1035N 0.79 1.78 0.00 1.87 0.00 -1.10 -2.20 119.26 120.40 2i8a h ALA 1035Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i8a h ALA 1035Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2i8a h ALA 1035CO 0.05 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2i8a n ALA 1036N -2.48 1.95 1.32 0.00 0.00 -0.62 -1.81 120.51 118.87 2i8a n ALA 1036Ca -0.03 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2i8a n ALA 1036Cb 0.16 -1.31 0.48 0.00 0.00 0.00 0.00 19.45 18.79 2i8a n ALA 1036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i8a n LEU 1037N -1.39 0.80 0.00 0.00 4.32 -0.83 -4.94 117.00 114.97 2i8a n LEU 1037Ca 0.07 -0.15 -0.21 0.00 -0.02 0.00 0.00 56.01 55.70 2i8a n LEU 1037Cb 0.19 -0.14 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 2i8a n LEU 1037CO 0.16 0.15 -0.13 0.23 -1.22 0.00 0.00 177.39 176.58 2i8a n MET 1038N -0.75 1.15 -3.20 3.23 2.81 -0.75 -5.10 117.12 114.52 2i8a n MET 1038Ca 0.13 -2.43 -0.39 0.00 -1.81 0.00 0.00 57.70 53.21 2i8a n MET 1038Cb 0.32 0.60 -0.06 0.00 -0.71 0.00 0.00 33.22 33.37 2i8a n MET 1038CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2i8a s ASP 1039N -2.89 6.94 -1.37 7.83 3.68 0.21 -4.51 116.67 126.56 2i8a s ASP 1039Ca 0.03 1.12 -0.02 0.00 2.13 0.00 0.00 52.55 55.81 2i8a s ASP 1039Cb -0.00 -2.36 -0.00 0.00 -1.45 0.00 0.00 42.92 39.11 2i8a s ASP 1039CO 0.02 0.06 0.47 0.29 0.13 0.00 0.00 175.17 176.13 2i8a n LYS 1040N 2.99 -3.17 -2.08 4.34 4.76 -1.26 0.11 118.16 123.84 2i8a n LYS 1040Ca -0.06 0.42 -0.38 0.00 -2.87 0.00 0.00 58.31 55.42 2i8a n LYS 1040Cb 0.51 -4.51 0.01 0.00 -1.84 0.00 0.00 35.03 29.20 2i8a n LYS 1040CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2i8a s PRO 1041N -6.48 3.64 -0.03 1.97 0.04 -1.26 -4.62 135.00 128.26 2i8a s PRO 1041Ca 0.05 1.99 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2i8a s PRO 1041Cb -0.02 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.09 2i8a s PRO 1041CO 0.88 -0.71 0.07 0.54 0.04 0.00 0.00 177.00 177.82 2i8a s VAL 1042N -1.41 -0.01 0.22 -0.36 0.11 0.35 -4.99 120.40 114.31 2i8a s VAL 1042Ca 0.64 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.43 2i8a s VAL 1042Cb -0.34 -0.11 -0.09 0.00 -1.53 0.00 0.00 36.38 34.32 2i8a s VAL 1042CO 0.41 0.02 1.26 -0.75 -3.33 0.00 0.00 175.10 172.71 2i8a s LYS 1043N 0.25 4.44 -0.25 1.54 2.20 -1.26 -0.90 119.74 125.76 2i8a s LYS 1043Ca -0.02 2.01 -0.12 0.00 -0.36 0.00 0.00 55.97 57.48 2i8a s LYS 1043Cb -0.03 -3.19 -0.11 0.00 -1.51 0.00 0.00 37.83 33.00 2i8a s LYS 1043CO -0.01 -0.15 -0.32 1.28 -0.36 0.00 0.00 175.35 175.80 2i8a n LEU 1044N 2.15 1.83 -3.50 5.43 4.77 0.79 -4.89 117.00 123.59 2i8a n LEU 1044Ca 0.04 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2i8a n LEU 1044Cb 0.43 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2i8a n LEU 1044CO 0.57 0.54 0.61 0.00 -1.33 0.00 0.00 177.39 177.78 2i8a s ALA 1045N -2.46 -1.78 -0.16 -1.18 0.00 -1.09 -5.01 121.76 110.07 2i8a s ALA 1045Ca -0.35 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 2i8a s ALA 1045Cb 0.13 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.62 2i8a s ALA 1045CO 0.45 -0.61 0.17 0.45 0.00 0.00 0.00 175.76 176.21 2i8a s SER 1046N -2.17 1.51 -0.02 0.00 0.15 -1.26 -1.10 113.70 110.81 2i8a s SER 1046Ca 0.01 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 2i8a s SER 1046Cb -0.01 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2i8a s SER 1046CO -0.06 -0.31 0.03 -1.00 1.20 0.00 0.00 173.24 173.10 2i8a s HIS 1047N 2.26 0.02 0.00 3.44 3.76 -0.71 -5.00 115.29 119.07 2i8a s HIS 1047Ca 0.05 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2i8a s HIS 1047Cb -0.15 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.32 2i8a s HIS 1047CO -0.10 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.25 2i8a n ARG 1048N 4.10 0.00 -0.15 1.40 1.74 -1.26 -0.71 116.66 121.78 2i8a n ARG 1048Ca -0.27 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.86 2i8a n ARG 1048Cb 0.51 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.07 2i8a n ARG 1048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2i8a n GLU 1049N 14.00 1.66 -3.53 5.56 0.00 -1.26 -4.77 120.64 132.31 2i8a n GLU 1049Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 57.16 55.74 2i8a n GLU 1049Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 31.44 30.14 2i8a n GLU 1049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2i8a s PHE 1050N -1.63 3.50 -0.18 -1.84 0.40 0.11 -3.98 117.98 114.37 2i8a s PHE 1050Ca 0.19 -2.11 -0.07 0.00 -0.60 0.00 0.00 56.93 54.33 2i8a s PHE 1050Cb 0.10 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2i8a s PHE 1050CO 0.12 -0.95 0.05 0.99 0.70 0.00 0.00 175.22 176.13 2i8a s THR 1051N 0.67 4.66 -0.03 0.64 2.01 -1.26 -1.73 115.64 120.59 2i8a s THR 1051Ca 0.12 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2i8a s THR 1051Cb -0.21 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 2i8a s THR 1051CO -0.03 0.46 -0.15 -0.94 -0.69 0.00 0.00 174.62 173.27 2i8a s SER 1052N 0.41 1.86 0.19 3.53 1.04 -0.26 -1.27 113.70 119.21 2i8a s SER 1052Ca 0.02 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.23 2i8a s SER 1052Cb -0.13 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 2i8a s SER 1052CO 0.01 0.15 -0.15 0.26 0.98 0.00 0.00 173.24 174.49 2i8a s TRP 1053N -0.07 1.68 0.03 5.02 0.52 0.60 -0.14 118.94 126.57 2i8a s TRP 1053Ca -0.00 -0.56 0.09 0.00 0.02 0.00 0.00 56.10 55.65 2i8a s TRP 1053Cb -0.09 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2i8a s TRP 1053CO 0.01 0.32 -0.26 0.50 0.02 0.00 0.00 176.95 177.54 2i8a s ARG 1054N -3.40 1.85 0.30 4.98 3.52 -0.08 -0.93 118.95 125.19 2i8a s ARG 1054Ca 0.20 -1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 2i8a s ARG 1054Cb -0.02 -1.96 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 2i8a s ARG 1054CO 0.06 0.51 0.44 0.00 -0.81 0.00 0.00 175.30 175.50 2i8a s ALA 1055N -0.75 0.57 -0.04 6.12 0.00 -0.40 -0.50 121.76 126.76 2i8a s ALA 1055Ca 0.11 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2i8a s ALA 1055Cb -0.10 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 2i8a s ALA 1055CO 0.01 -0.78 -0.08 -1.83 0.00 0.00 0.00 175.76 173.08 2i8a s GLU 1056N -3.41 2.63 -0.14 0.00 4.04 0.12 -0.54 118.70 121.40 2i8a s GLU 1056Ca 0.29 -0.64 -0.01 0.00 0.04 0.00 0.00 54.97 54.66 2i8a s GLU 1056Cb 0.00 -2.52 0.03 0.00 0.02 0.00 0.00 34.13 31.67 2i8a s GLU 1056CO 0.17 0.63 -0.06 -1.17 -1.84 0.00 0.00 175.26 172.99 2i8a s LEU 1057N -1.03 1.33 -1.61 1.83 2.96 -0.04 -0.62 118.68 121.51 2i8a s LEU 1057Ca 0.14 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.42 2i8a s LEU 1057Cb -0.11 -0.84 0.14 0.00 0.50 0.00 0.00 46.19 45.88 2i8a s LEU 1057CO 0.03 -0.16 0.77 0.47 -1.32 0.00 0.00 176.35 176.15 2i8a n ASP 1058N 4.93 -3.56 0.00 3.68 10.43 -1.26 -1.52 116.55 129.25 2i8a n ASP 1058Ca -0.12 -0.88 0.00 0.00 2.57 0.00 0.00 54.79 56.36 2i8a n ASP 1058Cb 0.49 -2.91 0.00 0.00 1.84 0.00 0.00 41.12 40.54 2i8a n ASP 1058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2i8a n GLY 1059N -1.38 0.73 3.27 0.44 0.00 -1.26 -5.05 105.19 101.94 2i8a n GLY 1059Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2i8a n GLY 1059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i8a s LYS 1060N -0.70 1.97 0.32 1.61 1.02 -0.58 -5.06 119.74 118.34 2i8a s LYS 1060Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 2i8a s LYS 1060Cb 0.00 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 2i8a s LYS 1060CO 0.00 0.49 1.30 0.00 -0.92 0.00 0.00 175.35 176.22 2i8a s ALA 1061N -0.50 3.49 0.01 5.17 0.00 -1.26 -0.86 121.76 127.82 2i8a s ALA 1061Ca 0.08 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.28 2i8a s ALA 1061Cb -0.10 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2i8a s ALA 1061CO -0.00 -0.61 -0.03 0.08 0.00 0.00 0.00 175.76 175.20 2i8a s VAL 1062N -1.10 0.18 -0.05 0.00 1.01 0.30 -4.30 120.40 116.44 2i8a s VAL 1062Ca 0.49 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2i8a s VAL 1062Cb -0.39 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2i8a s VAL 1062CO 0.52 -0.20 0.04 -0.63 0.00 0.00 0.00 175.10 174.83 2i8a s ILE 1063N -0.68 4.52 -0.14 2.22 -1.09 -0.85 -1.28 121.20 123.90 2i8a s ILE 1063Ca -0.06 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 2i8a s ILE 1063Cb -0.05 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 2i8a s ILE 1063CO -0.00 0.48 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.29 2i8a s VAL 1064N -1.04 1.98 -0.10 2.92 1.01 -0.10 -0.64 120.40 124.42 2i8a s VAL 1064Ca 0.18 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2i8a s VAL 1064Cb -0.12 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.55 2i8a s VAL 1064CO 0.08 0.53 0.23 0.00 0.00 0.00 0.00 175.10 175.94 2i8a s SER 1066N 1.41 6.26 -0.02 0.00 1.04 -0.39 -3.74 113.70 118.25 2i8a s SER 1066Ca -0.08 1.74 0.16 0.00 0.48 0.00 0.00 55.95 58.25 2i8a s SER 1066Cb -0.11 -2.53 -0.25 0.00 0.10 0.00 0.00 66.02 63.23 2i8a s SER 1066CO -0.08 -0.84 0.37 0.35 0.98 0.00 0.00 173.24 174.03 2i8a n THR 1067N -1.59 0.00 -1.05 2.02 -2.24 -0.46 -4.46 114.28 106.50 2i8a n THR 1067Ca 0.08 -0.36 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2i8a n THR 1067Cb 0.53 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 2i8a n THR 1067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i8a n GLY 1068N 1.57 -2.09 3.74 3.38 0.00 -0.33 -3.24 105.19 108.21 2i8a n GLY 1068Ca -0.03 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 2i8a n GLY 1068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 1069N -1.16 4.97 0.00 -0.61 1.01 -1.26 -4.67 121.20 119.49 2i8a s ILE 1069Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2i8a s ILE 1069Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2i8a s ILE 1069CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2i8a n GLY 1070N 2.75 2.32 0.34 6.18 0.00 -1.25 -4.56 105.19 110.97 2i8a n GLY 1070Ca -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 2i8a n GLY 1070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2i8a h GLY 1071N 0.00 1.27 0.34 -0.02 0.00 -1.85 -2.53 103.07 100.29 2i8a h GLY 1071Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.81 2i8a h GLY 1071CO 0.00 0.54 -0.22 -2.55 0.00 0.00 0.00 176.54 174.31 2i8a h PRO 1072N 1.19 -0.28 -0.08 4.80 0.11 -1.94 0.18 132.00 135.98 2i8a h PRO 1072Ca 0.30 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 2i8a h PRO 1072Cb 0.01 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2i8a h PRO 1072CO -0.05 -0.19 -0.48 0.66 -0.21 0.00 0.00 178.00 177.73 2i8a h SER 1073N -0.29 0.21 -0.46 -2.05 4.64 -1.79 -2.76 113.55 111.03 2i8a h SER 1073Ca 0.09 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i8a h SER 1073Cb 0.43 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 2i8a h SER 1073CO -0.28 0.66 0.29 0.74 -0.87 0.00 0.00 176.83 177.37 2i8a h THR 1074N 0.16 1.13 -0.48 2.95 2.02 -1.21 -2.15 112.91 115.33 2i8a h THR 1074Ca 0.01 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.92 2i8a h THR 1074Cb 0.91 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2i8a h THR 1074CO 0.07 0.13 0.32 0.77 0.37 0.00 0.00 175.52 177.18 2i8a h SER 1075N 0.62 0.53 -0.17 4.18 4.64 -0.37 -0.49 113.55 122.49 2i8a h SER 1075Ca 0.17 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2i8a h SER 1075Cb -0.04 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2i8a h SER 1075CO -0.03 0.38 -0.05 0.40 -0.87 0.00 0.00 176.83 176.66 2i8a h ILE 1076N 0.63 1.29 -0.26 0.95 2.04 -1.24 -2.01 117.51 118.91 2i8a h ILE 1076Ca 0.18 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2i8a h ILE 1076Cb -0.04 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2i8a h ILE 1076CO -0.04 0.31 0.04 0.00 0.00 0.00 0.00 178.15 178.46 2i8a h ALA 1077N 0.71 0.35 -0.26 1.87 0.00 -0.80 -1.07 119.26 120.06 2i8a h ALA 1077Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2i8a h ALA 1077Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2i8a h ALA 1077CO 0.02 0.04 0.10 0.28 0.00 0.00 0.00 179.25 179.69 2i8a h VAL 1078N 0.25 1.18 -0.31 0.00 2.07 -1.18 0.48 116.25 118.74 2i8a h VAL 1078Ca 0.08 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2i8a h VAL 1078Cb 0.34 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2i8a h VAL 1078CO 0.01 0.18 0.19 -0.08 0.02 0.00 0.00 177.57 177.89 2i8a h GLU 1079N 0.28 0.38 -0.20 1.57 4.57 -1.25 -0.09 114.58 119.83 2i8a h GLU 1079Ca 0.09 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 2i8a h GLU 1079Cb 0.19 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2i8a h GLU 1079CO -0.01 0.25 -0.57 0.93 -1.18 0.00 0.00 179.01 178.43 2i8a h GLU 1080N 0.39 0.63 -0.71 1.92 5.08 -1.09 -1.06 114.58 119.73 2i8a h GLU 1080Ca 0.12 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2i8a h GLU 1080Cb -0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2i8a h GLU 1080CO -0.04 1.02 0.26 -0.07 -1.00 0.00 0.00 179.01 179.18 2i8a h LEU 1081N 0.48 1.00 -0.82 1.33 3.38 -0.79 -2.26 115.31 117.62 2i8a h LEU 1081Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2i8a h LEU 1081Cb 1.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2i8a h LEU 1081CO 0.11 0.91 0.50 0.00 0.09 0.00 0.00 178.44 180.04 2i8a h ALA 1082N 1.23 1.04 -0.28 1.53 0.00 -0.60 -0.28 119.26 121.90 2i8a h ALA 1082Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2i8a h ALA 1082Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2i8a h ALA 1082CO -0.01 0.50 0.14 1.96 0.00 0.00 0.00 179.25 181.84 2i8a h GLN 1083N 1.12 0.38 0.00 0.00 4.20 -0.87 -2.27 115.11 117.68 2i8a h GLN 1083Ca 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2i8a h GLN 1083Cb -0.05 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2i8a h GLN 1083CO -0.06 0.30 -0.11 1.28 -0.67 0.00 0.00 178.83 179.58 2i8a n LEU 1084N -4.45 0.53 0.00 1.46 4.77 -0.82 -4.91 117.00 113.59 2i8a n LEU 1084Ca 0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2i8a n LEU 1084Cb 0.11 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2i8a n LEU 1084CO 0.36 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2i8a n GLY 1085N 1.38 0.78 3.75 -0.72 0.00 -0.79 -4.72 105.19 104.87 2i8a n GLY 1085Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2i8a n GLY 1085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 1086N -1.76 3.28 0.00 -0.61 -1.09 -0.18 -4.60 121.20 116.24 2i8a s ILE 1086Ca 0.00 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 2i8a s ILE 1086Cb 0.00 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2i8a s ILE 1086CO 0.00 0.22 0.00 0.54 -1.23 0.00 0.00 174.94 174.47 2i8a n ARG 1087N 1.93 4.10 -4.40 2.79 5.12 0.26 -4.21 116.66 122.25 2i8a n ARG 1087Ca 0.03 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2i8a n ARG 1087Cb 0.44 -0.62 -0.16 0.00 -1.16 0.00 0.00 32.46 30.95 2i8a n ARG 1087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2i8a s THR 1088N -1.19 0.85 -0.10 0.55 2.01 -0.85 -1.17 115.64 115.75 2i8a s THR 1088Ca 0.00 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2i8a s THR 1088Cb 0.00 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.73 2i8a s THR 1088CO 0.00 0.29 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.72 2i8a s PHE 1089N 0.65 1.78 -0.26 4.92 0.40 0.89 -0.81 117.98 125.56 2i8a s PHE 1089Ca -0.11 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.42 2i8a s PHE 1089Cb -0.14 -1.31 0.04 0.00 0.51 0.00 0.00 43.02 42.12 2i8a s PHE 1089CO 0.02 -0.42 -0.07 -0.51 0.70 0.00 0.00 175.22 174.94 2i8a s LEU 1090N 0.97 3.36 0.09 -0.37 1.43 -0.29 -1.35 118.68 122.51 2i8a s LEU 1090Ca -0.08 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 51.69 2i8a s LEU 1090Cb -0.15 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 2i8a s LEU 1090CO -0.01 -0.17 0.81 -0.60 0.23 0.00 0.00 176.35 176.61 2i8a s ARG 1091N 1.26 4.56 -0.17 1.70 3.52 -0.41 -0.25 118.95 129.15 2i8a s ARG 1091Ca -0.03 1.16 0.01 0.00 -0.13 0.00 0.00 55.73 56.74 2i8a s ARG 1091Cb -0.18 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2i8a s ARG 1091CO -0.04 0.35 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.12 2i8a s ILE 1092N -0.35 1.94 0.34 4.11 1.10 -1.21 -1.35 121.20 125.77 2i8a s ILE 1092Ca 0.39 -0.88 0.04 0.00 -0.51 0.00 0.00 60.65 59.69 2i8a s ILE 1092Cb -0.22 -1.77 -0.01 0.00 0.15 0.00 0.00 42.46 40.61 2i8a s ILE 1092CO 0.25 0.50 0.13 0.61 -2.11 0.00 0.00 174.94 174.33 2i8a n GLY 1093N 4.66 3.34 3.64 1.50 0.00 -0.46 -4.10 105.19 113.77 2i8a n GLY 1093Ca -0.20 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 2i8a n GLY 1093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i8a s THR 1094N -2.88 3.72 0.09 2.61 -4.23 -1.26 -2.24 115.64 111.46 2i8a s THR 1094Ca 0.19 -1.15 -0.13 0.00 -1.18 0.00 0.00 61.69 59.41 2i8a s THR 1094Cb 0.01 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 71.10 2i8a s THR 1094CO 0.13 0.09 0.32 0.28 -0.54 0.00 0.00 174.62 174.90 2i8a s THR 1095N -1.32 0.09 -0.25 3.99 -1.32 -0.87 -4.89 115.64 111.07 2i8a s THR 1095Ca 0.24 -0.78 -0.08 0.00 -1.21 0.00 0.00 61.69 59.86 2i8a s THR 1095Cb -0.11 -1.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 2i8a s THR 1095CO 0.17 -0.43 0.10 -0.83 -2.21 0.00 0.00 174.62 171.41 2i8a s GLY 1096N -2.64 1.81 0.40 6.08 0.00 -1.23 -1.81 107.32 109.93 2i8a s GLY 1096Ca 0.02 -1.10 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 2i8a s GLY 1096CO -0.10 0.53 0.96 0.00 0.00 0.00 0.00 173.10 174.50 2i8a s ALA 1097N 1.58 3.09 -0.29 3.20 0.00 -0.48 -1.97 121.76 126.89 2i8a s ALA 1097Ca 0.06 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2i8a s ALA 1097Cb -0.15 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2i8a s ALA 1097CO 0.05 0.09 0.53 0.44 0.00 0.00 0.00 175.76 176.87 2i8a n ILE 1098N -0.24 0.00 -3.62 0.00 -5.35 -0.11 -1.20 119.36 108.84 2i8a n ILE 1098Ca 0.05 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.68 2i8a n ILE 1098Cb 0.52 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 2i8a n ILE 1098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2i8a s GLN 1099N -0.29 4.11 0.55 6.28 -1.52 -1.24 -4.79 119.66 122.75 2i8a s GLN 1099Ca 0.03 0.03 0.24 0.00 -1.95 0.00 0.00 55.36 53.71 2i8a s GLN 1099Cb 0.02 -3.38 1.48 0.00 -0.22 0.00 0.00 33.01 30.91 2i8a s GLN 1099CO 0.04 0.36 2.08 -1.35 -0.25 0.00 0.00 175.29 176.17 2i8a h PRO 1100N 6.28 0.00 -0.65 2.91 0.11 -1.96 -2.58 132.00 136.10 2i8a h PRO 1100Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2i8a h PRO 1100Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2i8a h PRO 1100CO 0.72 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 2i8a n HIS 1101N -4.18 1.14 -3.59 0.65 8.25 -1.26 -4.75 115.22 111.48 2i8a n HIS 1101Ca 0.03 -0.49 -0.40 0.00 -0.26 0.00 0.00 57.72 56.59 2i8a n HIS 1101Cb 0.36 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 2i8a n HIS 1101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2i8a s ILE 1102N -1.51 4.71 0.24 1.59 1.01 -0.98 -5.08 121.20 121.18 2i8a s ILE 1102Ca 0.45 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2i8a s ILE 1102Cb 0.27 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.10 2i8a s ILE 1102CO 0.26 -0.16 0.61 0.20 0.00 0.00 0.00 174.94 175.84 2i8a s ASN 1103N 1.59 6.72 0.16 3.58 0.02 -1.26 -4.87 114.94 120.89 2i8a s ASN 1103Ca 0.03 1.07 -0.34 0.00 -1.02 0.00 0.00 52.86 52.61 2i8a s ASN 1103Cb -0.19 -2.29 -0.14 0.00 0.02 0.00 0.00 41.25 38.66 2i8a s ASN 1103CO 0.07 -0.07 1.58 0.52 0.02 0.00 0.00 177.10 179.22 2i8a n VAL 1104N 0.01 0.01 0.00 1.60 0.31 -1.26 -1.08 118.33 117.92 2i8a n VAL 1104Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2i8a n VAL 1104Cb 0.52 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2i8a n VAL 1104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i8a n GLY 1105N 3.43 2.37 3.73 2.92 0.00 -0.72 -5.03 105.19 111.89 2i8a n GLY 1105Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2i8a n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i8a s ASP 1106N -0.50 3.87 -0.09 1.61 -0.00 -0.24 -4.76 116.67 116.56 2i8a s ASP 1106Ca 0.00 2.00 0.03 0.00 -0.00 0.00 0.00 52.55 54.58 2i8a s ASP 1106Cb 0.00 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.37 2i8a s ASP 1106CO 0.00 -2.46 -0.20 -0.69 -0.00 0.00 0.00 175.17 171.82 2i8a s VAL 1107N -2.75 2.46 -0.15 -1.27 1.01 -0.25 -1.42 120.40 118.04 2i8a s VAL 1107Ca 0.64 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2i8a s VAL 1107Cb -0.20 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2i8a s VAL 1107CO 0.56 0.56 -0.08 -0.76 0.00 0.00 0.00 175.10 175.37 2i8a s LEU 1108N 0.08 2.97 -0.19 3.92 1.43 0.57 -1.25 118.68 126.21 2i8a s LEU 1108Ca -0.09 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2i8a s LEU 1108Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2i8a s LEU 1108CO 0.06 0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 176.09 2i8a s VAL 1109N 0.42 3.95 -0.26 -1.59 1.01 0.05 -1.17 120.40 122.81 2i8a s VAL 1109Ca -0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2i8a s VAL 1109Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2i8a s VAL 1109CO 0.04 0.45 0.45 -0.89 0.00 0.00 0.00 175.10 175.15 2i8a s THR 1110N 0.79 5.12 0.05 3.92 2.01 -0.82 -1.91 115.64 124.80 2i8a s THR 1110Ca -0.00 0.75 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 2i8a s THR 1110Cb -0.14 -3.77 -0.26 0.00 0.01 0.00 0.00 72.50 68.34 2i8a s THR 1110CO 0.02 0.13 1.05 0.71 -0.69 0.00 0.00 174.62 175.84 2i8a h THR 1111N 5.35 1.39 -2.43 -0.82 1.35 -1.47 -3.40 112.91 112.87 2i8a h THR 1111Ca -0.31 -3.03 0.11 0.00 -0.55 0.00 0.00 66.41 62.63 2i8a h THR 1111Cb 1.15 2.83 -0.12 0.00 -1.73 0.00 0.00 68.15 70.28 2i8a h THR 1111CO 0.69 0.86 0.44 0.00 -0.25 0.00 0.00 175.52 177.26 2i8a s ALA 1112N -2.65 -1.71 0.05 6.62 0.00 -1.26 -0.70 121.76 122.11 2i8a s ALA 1112Ca -0.05 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.58 2i8a s ALA 1112Cb 0.08 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2i8a s ALA 1112CO 0.86 -0.83 -0.17 -1.12 0.00 0.00 0.00 175.76 174.50 2i8a s SER 1113N -2.68 1.98 0.00 0.00 0.01 0.20 -2.31 113.70 110.89 2i8a s SER 1113Ca 0.07 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 2i8a s SER 1113Cb -0.01 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 2i8a s SER 1113CO -0.05 0.06 1.21 -0.69 0.41 0.00 0.00 173.24 174.18 2i8a s VAL 1114N -0.90 4.12 -1.19 3.43 1.01 0.72 -4.36 120.40 123.23 2i8a s VAL 1114Ca 0.03 1.49 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 2i8a s VAL 1114Cb -0.08 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.52 2i8a s VAL 1114CO 0.02 0.06 1.40 -0.13 0.00 0.00 0.00 175.10 176.44 2i8a s ARG 1115N 1.67 4.10 -0.51 2.72 0.52 -1.26 -1.52 118.95 124.66 2i8a s ARG 1115Ca 0.58 -2.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.18 2i8a s ARG 1115Cb -0.27 -5.01 0.60 0.00 0.52 0.00 0.00 34.95 30.78 2i8a s ARG 1115CO 0.26 -1.72 1.93 1.28 0.02 0.00 0.00 175.30 177.07 2i8a n LEU 1116N 5.38 6.93 -4.77 2.53 4.77 -0.18 -4.93 117.00 126.72 2i8a n LEU 1116Ca 0.35 -3.82 -0.33 0.00 -0.03 0.00 0.00 56.01 52.18 2i8a n LEU 1116Cb 0.42 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 2i8a n LEU 1116CO 0.61 1.19 -0.25 1.51 -1.33 0.00 0.00 177.39 179.11 2i8a s ASP 1117N -1.52 4.12 -0.04 -1.43 3.84 -1.19 -1.43 116.67 119.02 2i8a s ASP 1117Ca 0.59 -1.69 0.04 0.00 -0.00 0.00 0.00 52.55 51.49 2i8a s ASP 1117Cb 0.49 0.62 -0.06 0.00 -1.38 0.00 0.00 42.92 42.59 2i8a s ASP 1117CO 0.07 -0.90 0.03 0.61 -0.00 0.00 0.00 175.17 174.98 2i8a n GLY 1118N -1.28 -0.23 0.22 2.12 0.00 -1.26 -4.74 105.19 100.02 2i8a n GLY 1118Ca -0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2i8a n GLY 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a h ALA 1119N 0.25 1.18 -0.73 4.61 0.00 -1.99 -2.49 119.26 120.10 2i8a h ALA 1119Ca -0.11 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2i8a h ALA 1119Cb 1.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2i8a h ALA 1119CO 0.01 0.53 0.49 0.66 0.00 0.00 0.00 179.25 180.93 2i8a h SER 1120N 0.31 0.42 0.68 0.00 4.64 -1.85 -0.57 113.55 117.18 2i8a h SER 1120Ca 0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2i8a h SER 1120Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2i8a h SER 1120CO 0.05 0.23 0.00 -0.07 -0.87 0.00 0.00 176.83 176.17 2i8a h LEU 1121N 0.45 0.00 0.00 5.97 3.38 -1.58 -0.87 115.31 122.66 2i8a h LEU 1121Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2i8a h LEU 1121Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2i8a h LEU 1121CO -0.11 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.83 2i8a n HIS 1122N -2.66 0.00 -0.01 1.13 8.25 -0.22 -3.86 115.22 117.85 2i8a n HIS 1122Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 2i8a n HIS 1122Cb 0.22 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 2i8a n HIS 1122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2i8a n PHE 1123N -1.32 0.00 -3.64 4.41 3.01 -0.40 -5.09 117.46 114.43 2i8a n PHE 1123Ca 0.12 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.43 2i8a n PHE 1123Cb 0.24 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.51 2i8a n PHE 1123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i8a s ALA 1124N -2.06 -1.41 0.88 4.37 0.00 -0.77 -5.00 121.76 117.77 2i8a s ALA 1124Ca -0.02 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2i8a s ALA 1124Cb 0.01 -0.42 0.12 0.00 0.00 0.00 0.00 23.12 22.83 2i8a s ALA 1124CO 0.10 -0.30 1.10 -1.25 0.00 0.00 0.00 175.76 175.40 2i8a s PRO 1125N -0.53 1.33 0.55 0.00 0.04 -1.26 -4.02 135.00 131.10 2i8a s PRO 1125Ca -0.06 1.11 0.24 0.00 0.04 0.00 0.00 61.00 62.33 2i8a s PRO 1125Cb -0.03 -1.79 1.47 0.00 0.04 0.00 0.00 34.50 34.18 2i8a s PRO 1125CO 0.05 -2.28 2.08 1.98 0.04 0.00 0.00 177.00 178.87 2i8a h MET 1126N -1.59 0.00 0.00 4.56 4.05 -1.94 -1.52 114.93 118.49 2i8a h MET 1126Ca -0.47 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 2i8a h MET 1126Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2i8a h MET 1126CO 0.50 0.00 -0.05 1.05 0.23 0.00 0.00 176.91 178.64 2i8a h GLU 1127N 0.00 0.00 -6.59 0.39 9.09 -2.03 -3.43 114.58 112.01 2i8a h GLU 1127Ca 0.12 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.01 2i8a h GLU 1127Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.65 2i8a h GLU 1127CO -0.00 0.05 0.57 0.12 0.05 0.00 0.00 179.01 179.79 2i8a s PHE 1128N -4.36 3.43 0.10 2.06 2.19 -0.57 -5.01 117.98 115.82 2i8a s PHE 1128Ca -0.04 1.35 -0.30 0.00 0.33 0.00 0.00 56.93 58.27 2i8a s PHE 1128Cb 0.14 -3.44 -0.06 0.00 -1.31 0.00 0.00 43.02 38.35 2i8a s PHE 1128CO 0.54 -1.28 1.14 -1.25 1.83 0.00 0.00 175.22 176.20 2i8a s PRO 1129N 0.34 4.50 -1.33 10.12 0.04 -1.26 -4.94 135.00 142.46 2i8a s PRO 1129Ca 0.56 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 2i8a s PRO 1129Cb -0.32 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 30.96 2i8a s PRO 1129CO 0.33 -0.12 1.83 0.00 0.04 0.00 0.00 177.00 179.09 2i8a n ALA 1130N 3.31 3.94 -2.57 8.56 0.00 -1.26 -4.74 120.51 127.76 2i8a n ALA 1130Ca 0.06 -3.86 -0.33 0.00 0.00 0.00 0.00 53.44 49.31 2i8a n ALA 1130Cb 0.47 -3.59 -0.13 0.00 0.00 0.00 0.00 19.45 16.20 2i8a n ALA 1130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i8a s VAL 1131N 4.00 3.30 0.61 0.00 0.11 -1.26 -0.63 120.40 126.53 2i8a s VAL 1131Ca 0.53 -0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 58.80 2i8a s VAL 1131Cb 0.06 -2.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 2i8a s VAL 1131CO 0.05 0.59 1.06 0.00 -3.33 0.00 0.00 175.10 173.46 2i8a s ALA 1132N -0.65 2.71 0.23 1.54 0.00 0.12 -4.69 121.76 121.03 2i8a s ALA 1132Ca 0.10 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 2i8a s ALA 1132Cb -0.11 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2i8a s ALA 1132CO 0.01 -0.89 1.37 0.34 0.00 0.00 0.00 175.76 176.59 2i8a s ASP 1133N -2.89 6.78 0.23 0.00 -1.08 -0.10 -4.96 116.67 114.65 2i8a s ASP 1133Ca 0.63 2.54 -0.07 0.00 -0.52 0.00 0.00 52.55 55.13 2i8a s ASP 1133Cb -0.16 -2.62 0.23 0.00 -1.46 0.00 0.00 42.92 38.91 2i8a s ASP 1133CO 0.39 -0.60 1.91 0.15 0.52 0.00 0.00 175.17 177.54 2i8a h PHE 1134N 5.04 1.13 -0.68 -5.34 3.57 -1.95 -2.10 116.94 116.61 2i8a h PHE 1134Ca -0.46 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 2i8a h PHE 1134Cb 1.22 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2i8a h PHE 1134CO 0.61 0.70 0.17 0.00 -2.23 0.00 0.00 178.31 177.55 2i8a h ALA 1135N 1.34 0.89 -0.31 2.41 0.00 -1.96 -1.02 119.26 120.61 2i8a h ALA 1135Ca 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2i8a h ALA 1135Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2i8a h ALA 1135CO -0.08 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.83 2i8a h THR 1137N 0.34 1.23 -0.35 0.00 2.02 -1.31 -0.97 112.91 113.87 2i8a h THR 1137Ca 0.09 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.52 2i8a h THR 1137Cb 0.35 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2i8a h THR 1137CO 0.01 0.29 0.12 0.74 0.37 0.00 0.00 175.52 177.05 2i8a h THR 1138N 0.68 0.90 -0.78 3.16 2.02 -1.09 -1.15 112.91 116.65 2i8a h THR 1138Ca 0.16 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2i8a h THR 1138Cb 0.29 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2i8a h THR 1138CO -0.00 0.05 0.42 0.00 0.37 0.00 0.00 175.52 176.35 2i8a h ALA 1139N 1.22 1.26 -0.34 6.16 0.00 -0.54 -0.98 119.26 126.05 2i8a h ALA 1139Ca 0.16 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2i8a h ALA 1139Cb 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2i8a h ALA 1139CO -0.16 0.59 -0.41 -0.07 0.00 0.00 0.00 179.25 179.20 2i8a h LEU 1140N 1.10 0.94 -0.16 0.00 3.38 -0.87 -0.79 115.31 118.91 2i8a h LEU 1140Ca 0.28 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2i8a h LEU 1140Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2i8a h LEU 1140CO -0.04 1.24 0.05 0.58 0.09 0.00 0.00 178.44 180.36 2i8a h VAL 1141N 0.66 1.18 -0.17 1.22 2.07 -0.94 -0.86 116.25 119.41 2i8a h VAL 1141Ca 0.04 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 2i8a h VAL 1141Cb 1.01 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2i8a h VAL 1141CO 0.10 0.17 -0.40 -0.33 0.02 0.00 0.00 177.57 177.13 2i8a h GLU 1142N 0.08 0.39 -0.62 1.57 4.39 -1.20 -2.66 114.58 116.53 2i8a h GLU 1142Ca 0.05 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2i8a h GLU 1142Cb 0.22 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2i8a h GLU 1142CO -0.00 0.73 0.16 0.00 -1.16 0.00 0.00 179.01 178.73 2i8a h ALA 1143N 1.25 1.10 -0.90 3.43 0.00 -1.00 -1.46 119.26 121.67 2i8a h ALA 1143Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2i8a h ALA 1143Cb 0.85 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2i8a h ALA 1143CO 0.07 0.60 0.57 0.00 0.00 0.00 0.00 179.25 180.50 2i8a h ALA 1144N 1.23 1.23 -0.12 0.00 0.00 -0.90 -0.63 119.26 120.08 2i8a h ALA 1144Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2i8a h ALA 1144Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2i8a h ALA 1144CO -0.00 0.36 -0.42 0.87 0.00 0.00 0.00 179.25 180.06 2i8a h LYS 1145N 1.06 0.27 -0.26 0.00 1.57 -1.11 -1.05 116.57 117.06 2i8a h LYS 1145Ca 0.38 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2i8a h LYS 1145Cb 0.13 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2i8a h LYS 1145CO -0.16 0.65 -0.27 0.77 -0.57 0.00 0.00 179.45 179.87 2i8a h SER 1146N 0.23 0.68 0.33 0.86 0.02 -0.86 -3.25 113.55 111.56 2i8a h SER 1146Ca 0.02 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 2i8a h SER 1146Cb 0.84 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2i8a h SER 1146CO 0.07 1.02 -0.62 0.40 -1.14 0.00 0.00 176.83 176.56 2i8a h ILE 1147N 0.35 1.38 -2.17 3.27 5.03 -1.06 -3.49 117.51 120.82 2i8a h ILE 1147Ca 0.04 -2.00 0.00 0.00 -0.12 0.00 0.00 64.86 62.78 2i8a h ILE 1147Cb 0.83 2.01 0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2i8a h ILE 1147CO 0.07 0.59 0.00 0.61 -0.68 0.00 0.00 178.15 178.74 2i8a n GLY 1148N 0.31 -2.08 3.24 5.37 0.00 -0.42 -5.10 105.19 106.51 2i8a n GLY 1148Ca -0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2i8a n GLY 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a s ALA 1149N 0.00 -0.73 -0.46 4.61 0.00 -1.05 -5.02 121.76 119.12 2i8a s ALA 1149Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.87 2i8a s ALA 1149Cb 0.00 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.33 2i8a s ALA 1149CO 0.00 -0.33 0.99 0.99 0.00 0.00 0.00 175.76 177.41 2i8a s THR 1150N -1.89 4.40 0.05 0.00 2.01 -1.26 -4.83 115.64 114.12 2i8a s THR 1150Ca -0.10 0.92 0.07 0.00 0.31 0.00 0.00 61.69 62.90 2i8a s THR 1150Cb -0.03 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 2i8a s THR 1150CO 0.01 -0.86 -0.18 0.28 -0.69 0.00 0.00 174.62 173.18 2i8a s THR 1151N 3.94 2.83 -0.02 -0.82 -1.32 -1.26 -1.09 115.64 117.90 2i8a s THR 1151Ca 0.40 -1.20 0.05 0.00 -1.21 0.00 0.00 61.69 59.72 2i8a s THR 1151Cb -0.09 -2.20 -0.01 0.00 -1.51 0.00 0.00 72.50 68.68 2i8a s THR 1151CO 0.27 0.31 -0.15 -1.00 -2.21 0.00 0.00 174.62 171.84 2i8a s HIS 1152N -0.95 1.44 -0.11 9.09 3.76 -0.38 -4.96 115.29 123.18 2i8a s HIS 1152Ca 0.15 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 2i8a s HIS 1152Cb -0.11 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2i8a s HIS 1152CO 0.06 -0.06 -0.22 0.08 -0.85 0.00 0.00 174.74 173.74 2i8a s VAL 1153N -0.22 1.96 -3.15 -0.90 1.01 -1.26 -0.77 120.40 117.07 2i8a s VAL 1153Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2i8a s VAL 1153Cb -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2i8a s VAL 1153CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2i8a n GLY 1154N 3.74 -0.54 3.81 4.51 0.00 -0.80 -4.96 105.19 110.94 2i8a n GLY 1154Ca -0.20 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 2i8a n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 1155N -3.29 4.71 -0.01 1.61 1.01 -1.26 -1.13 120.40 122.05 2i8a s VAL 1155Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2i8a s VAL 1155Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2i8a s VAL 1155CO 0.00 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.46 2i8a s THR 1156N -1.19 2.27 -0.24 3.92 2.01 -0.98 -0.69 115.64 120.73 2i8a s THR 1156Ca 0.32 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 2i8a s THR 1156Cb -0.19 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2i8a s THR 1156CO 0.20 0.52 0.52 0.00 -0.69 0.00 0.00 174.62 175.16 2i8a s ALA 1157N -0.69 3.58 -0.34 7.40 0.00 0.07 -0.20 121.76 131.58 2i8a s ALA 1157Ca 0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 2i8a s ALA 1157Cb -0.10 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2i8a s ALA 1157CO 0.00 -0.64 0.13 0.45 0.00 0.00 0.00 175.76 175.69 2i8a s SER 1158N 1.41 5.39 -0.06 0.00 0.15 -0.58 -1.60 113.70 118.41 2i8a s SER 1158Ca 0.22 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.87 2i8a s SER 1158Cb -0.16 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2i8a s SER 1158CO 0.09 -0.31 -0.07 -0.55 1.20 0.00 0.00 173.24 173.60 2i8a s SER 1159N 1.46 4.64 0.00 5.45 0.15 -0.04 -1.01 113.70 124.35 2i8a s SER 1159Ca 0.00 -0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.80 2i8a s SER 1159Cb -0.19 -1.15 0.90 0.00 -1.71 0.00 0.00 66.02 63.87 2i8a s SER 1159CO 0.04 0.35 1.60 0.47 1.20 0.00 0.00 173.24 176.90 2i8a n ASP 1160N 2.13 0.00 -4.20 5.45 10.43 -0.51 -4.35 116.55 125.50 2i8a n ASP 1160Ca -0.18 0.23 -0.17 0.00 2.57 0.00 0.00 54.79 57.25 2i8a n ASP 1160Cb 0.53 -0.38 -0.11 0.00 1.84 0.00 0.00 41.12 42.99 2i8a n ASP 1160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2i8a s THR 1161N -2.77 1.13 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.01 2i8a s THR 1161Ca 0.14 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.17 2i8a s THR 1161Cb 0.13 -1.34 -0.20 0.00 1.34 0.00 0.00 72.50 72.43 2i8a s THR 1161CO 0.32 -0.42 1.10 0.15 -0.54 0.00 0.00 174.62 175.23 2i8a h PHE 1162N 3.74 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.36 2i8a h PHE 1162Ca -0.39 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.56 2i8a h PHE 1162Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2i8a h PHE 1162CO 0.64 0.95 0.00 0.66 -2.02 0.00 0.00 178.31 178.55 2i8a n TYR 1163N -3.24 0.00 0.08 0.41 4.02 -1.26 -4.36 117.16 112.82 2i8a n TYR 1163Ca -0.05 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.84 2i8a n TYR 1163Cb 0.96 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.60 2i8a n TYR 1163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2i8a h PRO 1164N 0.00 0.30 0.00 -0.72 0.13 -1.87 -0.78 132.00 129.06 2i8a h PRO 1164Ca 0.00 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2i8a h PRO 1164Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 2i8a h PRO 1164CO 0.00 0.48 -0.10 0.78 -0.23 0.00 0.00 178.00 178.93 2i8a h GLY 1165N 0.88 0.00 -3.12 1.56 0.00 -1.87 -0.42 103.07 100.10 2i8a h GLY 1165Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2i8a h GLY 1165CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 2i8a n GLN 1166N -3.39 4.41 -4.04 4.80 6.02 -0.95 -4.94 117.38 119.30 2i8a n GLN 1166Ca -0.01 -3.07 -0.27 0.00 -0.01 0.00 0.00 57.00 53.64 2i8a n GLN 1166Cb 0.28 -2.15 -0.04 0.00 1.02 0.00 0.00 30.24 29.36 2i8a n GLN 1166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2i8a n GLU 1167N 0.46 -2.80 -3.18 -1.09 2.13 -0.17 -4.94 120.64 111.04 2i8a n GLU 1167Ca 0.26 0.34 -0.39 0.00 0.66 0.00 0.00 57.16 58.03 2i8a n GLU 1167Cb 1.11 -4.35 -0.06 0.00 0.27 0.00 0.00 31.44 28.41 2i8a n GLU 1167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2i8a s ARG 1168N -6.74 4.34 -0.01 5.31 0.52 -0.34 -4.97 118.95 117.06 2i8a s ARG 1168Ca 0.03 0.62 0.16 0.00 -0.52 0.00 0.00 55.73 56.02 2i8a s ARG 1168Cb -0.01 -3.47 -0.21 0.00 0.52 0.00 0.00 34.95 31.77 2i8a s ARG 1168CO 0.91 0.04 0.56 0.66 0.02 0.00 0.00 175.30 177.49 2i8a n TYR 1169N 4.02 0.00 -1.49 -0.53 4.02 -1.26 -4.38 117.16 117.54 2i8a n TYR 1169Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.45 2i8a n TYR 1169Cb 0.51 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.66 2i8a n TYR 1169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2i8a n ASP 1170N -1.65 6.83 -4.22 7.72 8.00 -1.26 -4.11 116.55 127.85 2i8a n ASP 1170Ca 0.01 -2.69 -0.23 0.00 0.71 0.00 0.00 54.79 52.59 2i8a n ASP 1170Cb 0.32 -1.60 -0.09 0.00 -0.02 0.00 0.00 41.12 39.74 2i8a n ASP 1170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2i8a s THR 1171N 2.51 0.73 0.19 -3.53 -4.23 -1.26 -5.02 115.64 105.03 2i8a s THR 1171Ca 0.61 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2i8a s THR 1171Cb 0.16 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.61 2i8a s THR 1171CO -0.07 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.95 2i8a h TYR 1172N 1.97 0.21 0.00 3.99 5.03 -1.99 -3.12 116.97 123.06 2i8a h TYR 1172Ca -0.37 0.03 -0.28 0.00 2.58 0.00 0.00 58.73 60.69 2i8a h TYR 1172Cb 1.26 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.48 2i8a h TYR 1172CO 1.11 0.01 -1.77 -1.13 -1.32 0.00 0.00 178.16 175.06 2i8a n SER 1173N -5.09 0.72 -0.16 -2.11 3.41 -1.26 -4.96 113.62 104.16 2i8a n SER 1173Ca 0.06 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.99 2i8a n SER 1173Cb 0.26 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 2i8a n SER 1173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i8a n GLY 1174N 1.55 0.49 3.57 5.00 0.00 -1.18 -5.00 105.19 109.62 2i8a n GLY 1174Ca -0.18 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2i8a n GLY 1174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i8a s ARG 1175N -1.26 2.03 -0.06 1.61 1.70 -1.26 -4.91 118.95 116.80 2i8a s ARG 1175Ca 0.00 -1.48 0.01 0.00 -0.47 0.00 0.00 55.73 53.79 2i8a s ARG 1175Cb 0.00 -2.04 0.02 0.00 -0.57 0.00 0.00 34.95 32.36 2i8a s ARG 1175CO 0.00 0.38 -0.06 0.08 -1.08 0.00 0.00 175.30 174.61 2i8a s VAL 1176N -2.18 0.74 0.58 4.99 1.01 -1.26 -4.90 120.40 119.38 2i8a s VAL 1176Ca 0.29 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 2i8a s VAL 1176Cb -0.07 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.51 2i8a s VAL 1176CO 0.17 0.28 0.90 0.55 0.00 0.00 0.00 175.10 176.99 2i8a n VAL 1177N 4.20 3.37 -0.34 2.92 3.14 -1.26 -4.56 118.33 125.80 2i8a n VAL 1177Ca -0.21 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.68 2i8a n VAL 1177Cb 0.51 -1.07 0.06 0.00 -1.06 0.00 0.00 33.84 32.28 2i8a n VAL 1177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2i8a n ARG 1178N -0.77 -0.18 -0.27 1.45 0.63 -1.26 -0.92 116.66 115.35 2i8a n ARG 1178Ca 0.13 1.39 0.22 0.00 -0.92 0.00 0.00 57.85 58.67 2i8a n ARG 1178Cb 0.47 -2.07 0.54 0.00 0.45 0.00 0.00 32.46 31.85 2i8a n ARG 1178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2i8a h ARG 1179N 0.00 0.34 -0.01 -0.14 2.43 -2.02 -2.38 114.38 112.61 2i8a h ARG 1179Ca 0.34 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2i8a h ARG 1179Cb 0.57 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2i8a h ARG 1179CO -0.90 0.23 -0.57 1.19 -1.51 0.00 0.00 179.97 178.40 2i8a n PHE 1180N -4.51 0.00 -1.95 2.20 3.01 -0.09 -4.74 117.46 111.38 2i8a n PHE 1180Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 2i8a n PHE 1180Cb 0.80 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.24 2i8a n PHE 1180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2i8a s LYS 1181N -2.31 4.20 0.00 -1.08 1.02 -0.90 -2.03 119.74 118.65 2i8a s LYS 1181Ca 0.11 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2i8a s LYS 1181Cb 0.14 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2i8a s LYS 1181CO 0.56 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 2i8a n GLY 1182N 3.97 0.45 0.17 -3.33 0.00 -1.26 -4.91 105.19 100.27 2i8a n GLY 1182Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2i8a n GLY 1182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i8a h SER 1183N 0.00 0.34 -0.58 1.61 4.64 -1.70 -2.93 113.55 114.93 2i8a h SER 1183Ca 0.00 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2i8a h SER 1183Cb 0.21 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2i8a h SER 1183CO 0.00 0.91 0.33 -0.03 -0.87 0.00 0.00 176.83 177.16 2i8a h MET 1184N 0.21 0.80 -0.84 4.77 -1.53 -1.91 -0.29 114.93 116.13 2i8a h MET 1184Ca -0.02 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 2i8a h MET 1184Cb 1.20 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 32.05 2i8a h MET 1184CO 0.11 0.60 0.49 1.49 0.14 0.00 0.00 176.91 179.73 2i8a h GLU 1185N 0.78 1.15 0.09 0.39 4.22 -1.96 -0.53 114.58 118.72 2i8a h GLU 1185Ca 0.20 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.52 2i8a h GLU 1185Cb 0.03 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2i8a h GLU 1185CO -0.03 0.82 -0.04 0.93 -2.18 0.00 0.00 179.01 178.51 2i8a h GLU 1186N 1.17 -0.11 -0.63 1.92 5.08 -1.17 -1.85 114.58 118.98 2i8a h GLU 1186Ca 0.30 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2i8a h GLU 1186Cb -0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2i8a h GLU 1186CO -0.05 0.05 0.26 -1.49 -1.00 0.00 0.00 179.01 176.77 2i8a h TRP 1187N -0.25 0.92 -0.34 4.33 -0.00 -0.77 -2.15 115.95 117.69 2i8a h TRP 1187Ca -0.01 -0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2i8a h TRP 1187Cb 0.21 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.06 2i8a h TRP 1187CO -0.03 0.71 0.18 0.37 -0.00 0.00 0.00 178.44 179.67 2i8a h GLN 1188N 0.91 0.36 0.00 0.49 4.15 -0.96 -1.43 115.11 118.63 2i8a h GLN 1188Ca 0.21 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2i8a h GLN 1188Cb 0.17 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2i8a h GLN 1188CO -0.02 0.24 -0.18 0.00 -1.93 0.00 0.00 178.83 176.94 2i8a h ALA 1189N 1.17 1.36 -0.07 3.38 0.00 -0.94 -1.62 119.26 122.53 2i8a h ALA 1189Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i8a h ALA 1189Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2i8a h ALA 1189CO -0.09 0.22 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 2i8a n MET 1190N -3.82 1.47 -0.76 0.00 2.81 -0.82 -4.93 117.12 111.05 2i8a n MET 1190Ca -0.02 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 2i8a n MET 1190Cb 0.28 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2i8a n MET 1190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8a n GLY 1191N 1.05 0.68 3.73 3.03 0.00 -0.61 -5.03 105.19 108.05 2i8a n GLY 1191Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2i8a n GLY 1191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 1192N -2.36 2.70 0.07 1.61 1.01 -0.60 -4.63 120.40 118.20 2i8a s VAL 1192Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2i8a s VAL 1192Cb 0.00 -3.35 -0.25 0.00 0.00 0.00 0.00 36.38 32.78 2i8a s VAL 1192CO 0.00 0.07 1.12 0.24 0.00 0.00 0.00 175.10 176.52 2i8a h MET 1193N 5.86 0.15 -2.15 2.72 0.00 -1.24 -3.42 114.93 116.85 2i8a h MET 1193Ca -0.44 -0.26 0.20 0.00 0.00 0.00 0.00 59.70 59.20 2i8a h MET 1193Cb 1.21 0.10 -0.10 0.00 0.00 0.00 0.00 31.60 32.81 2i8a h MET 1193CO 0.84 1.08 0.56 0.54 0.00 0.00 0.00 176.91 179.92 2i8a s ASN 1194N -6.89 -0.17 -0.06 1.22 4.22 -1.26 -0.93 114.94 111.06 2i8a s ASN 1194Ca -0.03 -0.31 0.02 0.00 -2.14 0.00 0.00 52.86 50.39 2i8a s ASN 1194Cb 0.08 0.41 -0.03 0.00 1.28 0.00 0.00 41.25 43.00 2i8a s ASN 1194CO 0.85 -0.75 -0.09 -0.31 -2.04 0.00 0.00 177.10 174.76 2i8a s TYR 1195N -3.09 2.87 0.00 1.54 2.02 -0.83 -0.75 117.35 119.11 2i8a s TYR 1195Ca 0.12 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2i8a s TYR 1195Cb -0.00 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2i8a s TYR 1195CO 0.00 0.29 0.00 -0.85 -1.57 0.00 0.00 175.55 173.43 2i8a n GLU 1196N 2.24 0.00 0.00 -0.62 -0.00 -0.63 -3.50 120.64 118.13 2i8a n GLU 1196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2i8a n GLU 1196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2i8a n GLU 1196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2i8a n MET 1197N 0.00 -0.31 0.00 3.44 2.81 -1.26 -0.86 117.12 120.94 2i8a n MET 1197Ca 0.00 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 2i8a n MET 1197Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2i8a n MET 1197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2i8a n GLU 1198N -0.04 1.44 -0.09 0.03 4.71 -1.26 -3.38 120.64 122.05 2i8a n GLU 1198Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 2i8a n GLU 1198Cb 0.12 -0.87 -0.01 0.00 -1.01 0.00 0.00 31.44 29.67 2i8a n GLU 1198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2i8a h SER 1199N 0.00 0.94 -0.60 1.62 4.64 -1.94 -1.62 113.55 116.59 2i8a h SER 1199Ca 0.00 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2i8a h SER 1199Cb 0.00 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.77 2i8a h SER 1199CO 0.00 1.25 0.32 0.00 -0.87 0.00 0.00 176.83 177.52 2i8a h ALA 1200N 0.78 0.79 0.35 5.18 0.00 -1.87 0.27 119.26 124.76 2i8a h ALA 1200Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2i8a h ALA 1200Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2i8a h ALA 1200CO 0.10 -0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.32 2i8a h THR 1201N 0.60 0.66 -0.19 0.00 2.02 -1.89 -1.77 112.91 112.35 2i8a h THR 1201Ca 0.27 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.17 2i8a h THR 1201Cb 0.17 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2i8a h THR 1201CO -0.18 0.07 -0.26 0.25 0.37 0.00 0.00 175.52 175.77 2i8a h LEU 1202N -0.66 -0.82 -0.47 2.58 5.85 -0.90 -1.02 115.31 119.87 2i8a h LEU 1202Ca -0.05 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2i8a h LEU 1202Cb 0.47 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2i8a h LEU 1202CO 0.08 -0.30 0.15 -0.07 -0.34 0.00 0.00 178.44 177.96 2i8a h LEU 1203N -0.30 0.68 -0.27 2.25 3.38 -0.54 -2.02 115.31 118.50 2i8a h LEU 1203Ca 0.12 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2i8a h LEU 1203Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2i8a h LEU 1203CO -0.36 0.70 -0.09 0.74 0.09 0.00 0.00 178.44 179.53 2i8a h THR 1204N 0.62 1.29 -0.25 0.22 2.02 -1.18 -0.96 112.91 114.67 2i8a h THR 1204Ca 0.15 -1.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 2i8a h THR 1204Cb 0.26 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2i8a h THR 1204CO -0.01 0.36 -0.20 0.00 0.37 0.00 0.00 175.52 176.04 2i8a h MET 1205N 0.28 0.44 -0.02 6.66 -0.00 -1.14 -2.11 114.93 119.04 2i8a h MET 1205Ca 0.07 -0.15 -0.10 0.00 -0.00 0.00 0.00 59.70 59.52 2i8a h MET 1205Cb 0.57 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 32.14 2i8a h MET 1205CO 0.03 0.62 -0.39 0.00 -0.00 0.00 0.00 176.91 177.17 2i8a h ALA 1207N 0.32 1.21 -0.17 0.00 0.00 -1.09 -1.12 119.26 118.40 2i8a h ALA 1207Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2i8a h ALA 1207Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2i8a h ALA 1207CO 0.08 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 2i8a n SER 1208N -3.52 3.09 -0.11 0.00 3.41 -0.80 -4.43 113.62 111.26 2i8a n SER 1208Ca -0.02 -1.97 0.03 0.00 -0.26 0.00 0.00 58.87 56.65 2i8a n SER 1208Cb 0.24 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2i8a n SER 1208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i8a n GLN 1209N 1.34 1.30 -1.12 4.33 6.02 -0.86 -5.01 117.38 123.38 2i8a n GLN 1209Ca 0.16 -1.45 -0.04 0.00 -0.01 0.00 0.00 57.00 55.66 2i8a n GLN 1209Cb 0.59 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.91 2i8a n GLN 1209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i8a n GLY 1210N -0.53 0.70 3.85 1.08 0.00 -1.04 -5.03 105.19 104.21 2i8a n GLY 1210Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2i8a n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 1211N -0.95 4.08 -0.17 0.99 1.43 -0.48 -5.06 118.68 118.52 2i8a s LEU 1211Ca 0.00 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 2i8a s LEU 1211Cb 0.00 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2i8a s LEU 1211CO 0.00 0.16 0.29 -0.13 0.23 0.00 0.00 176.35 176.91 2i8a s ARG 1212N -2.49 4.25 0.04 1.70 0.52 -0.31 -3.96 118.95 118.69 2i8a s ARG 1212Ca 0.32 0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.65 2i8a s ARG 1212Cb -0.12 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 2i8a s ARG 1212CO 0.25 0.21 -0.09 0.00 0.02 0.00 0.00 175.30 175.69 2i8a s ALA 1213N 0.56 0.71 0.10 2.13 0.00 -1.26 -0.07 121.76 123.93 2i8a s ALA 1213Ca 0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2i8a s ALA 1213Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2i8a s ALA 1213CO 0.04 0.05 0.04 0.20 0.00 0.00 0.00 175.76 176.10 2i8a s GLY 1214N -1.34 0.77 -0.06 0.00 0.00 -0.46 -0.93 107.32 105.31 2i8a s GLY 1214Ca -0.06 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 2i8a s GLY 1214CO 0.01 -1.31 0.13 -0.29 0.00 0.00 0.00 173.10 171.64 2i8a s MET 1215N -4.00 0.09 0.04 2.90 1.75 -1.26 -1.29 119.30 117.53 2i8a s MET 1215Ca 0.18 0.30 0.05 0.00 -1.25 0.00 0.00 55.69 54.97 2i8a s MET 1215Cb 0.07 -0.12 -0.02 0.00 2.84 0.00 0.00 34.83 37.60 2i8a s MET 1215CO -0.03 -0.13 -0.16 0.54 -0.65 0.00 0.00 175.02 174.60 2i8a s VAL 1216N 0.86 1.25 -0.01 10.11 0.11 -0.46 -1.95 120.40 130.32 2i8a s VAL 1216Ca -0.07 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 57.89 2i8a s VAL 1216Cb -0.09 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2i8a s VAL 1216CO -0.04 0.08 0.15 0.00 -3.33 0.00 0.00 175.10 171.96 2i8a s ALA 1217N -0.80 -0.36 -0.05 1.54 0.00 -0.32 -1.35 121.76 120.42 2i8a s ALA 1217Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2i8a s ALA 1217Cb -0.08 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2i8a s ALA 1217CO 0.01 -0.18 0.32 0.20 0.00 0.00 0.00 175.76 176.11 2i8a s GLY 1218N -1.07 2.36 -0.27 0.00 0.00 -0.95 -0.31 107.32 107.08 2i8a s GLY 1218Ca -0.12 -0.36 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 2i8a s GLY 1218CO 0.01 -0.00 0.98 0.14 0.00 0.00 0.00 173.10 174.24 2i8a s VAL 1219N -0.97 4.66 -0.54 1.40 1.01 -0.51 -2.05 120.40 123.40 2i8a s VAL 1219Ca 0.21 1.74 0.15 0.00 0.00 0.00 0.00 61.98 64.08 2i8a s VAL 1219Cb -0.15 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.76 2i8a s VAL 1219CO 0.10 -0.27 0.56 2.30 0.00 0.00 0.00 175.10 177.79 2i8a n ILE 1220N 5.52 0.00 -3.51 2.22 -5.35 -0.75 -1.76 119.36 115.74 2i8a n ILE 1220Ca 0.10 -0.20 -0.17 0.00 -0.27 0.00 0.00 62.75 62.21 2i8a n ILE 1220Cb 0.47 0.80 -0.05 0.00 -1.74 0.00 0.00 39.64 39.11 2i8a n ILE 1220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i8a s VAL 1221N -2.56 0.00 -0.15 7.28 0.11 -1.24 -4.69 120.40 119.16 2i8a s VAL 1221Ca 0.03 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2i8a s VAL 1221Cb 0.11 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2i8a s VAL 1221CO 0.62 -0.01 -0.21 0.21 -3.33 0.00 0.00 175.10 172.38 2i8a s ASN 1222N -1.47 3.14 0.10 3.54 3.84 -1.26 -1.38 114.94 121.45 2i8a s ASN 1222Ca -0.09 -0.61 0.18 0.00 0.21 0.00 0.00 52.86 52.55 2i8a s ASN 1222Cb -0.00 -1.46 0.75 0.00 -0.55 0.00 0.00 41.25 39.99 2i8a s ASN 1222CO 0.06 0.07 1.55 0.54 -2.79 0.00 0.00 177.10 176.52 2i8a n ARG 1223N 4.17 0.07 0.02 0.43 5.12 -0.34 -2.42 116.66 123.71 2i8a n ARG 1223Ca -0.20 0.32 0.11 0.00 -1.93 0.00 0.00 57.85 56.15 2i8a n ARG 1223Cb 0.51 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 2i8a n ARG 1223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2i8a n THR 1224N -1.78 0.13 -3.26 0.55 -2.24 -1.26 -5.00 114.28 101.42 2i8a n THR 1224Ca 0.03 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 2i8a n THR 1224Cb 0.19 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2i8a n THR 1224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2i8a s GLN 1225N -3.38 3.59 -0.06 -0.78 -0.21 -1.01 -5.04 119.66 112.76 2i8a s GLN 1225Ca -0.03 -0.04 -0.13 0.00 0.02 0.00 0.00 55.36 55.17 2i8a s GLN 1225Cb 0.14 -2.61 -0.30 0.00 1.00 0.00 0.00 33.01 31.24 2i8a s GLN 1225CO 0.87 0.14 0.65 1.96 -2.12 0.00 0.00 175.29 176.79 2i8a h GLN 1226N 1.28 0.35 -5.76 2.91 4.20 -1.94 -3.46 115.11 112.69 2i8a h GLN 1226Ca -0.48 -0.59 -0.60 0.00 0.06 0.00 0.00 58.65 57.04 2i8a h GLN 1226Cb 1.20 0.22 -0.09 0.00 0.30 0.00 0.00 27.48 29.11 2i8a h GLN 1226CO 0.64 1.28 0.43 -1.21 -0.67 0.00 0.00 178.83 179.31 2i8a s GLU 1227N -2.54 4.18 -0.33 1.46 2.02 -1.26 -5.03 118.70 117.20 2i8a s GLU 1227Ca -0.17 0.90 -0.17 0.00 0.02 0.00 0.00 54.97 55.55 2i8a s GLU 1227Cb 0.05 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 2i8a s GLU 1227CO 0.83 -0.50 0.46 0.42 0.02 0.00 0.00 175.26 176.49 2i8a s ILE 1228N 2.77 5.07 0.80 -1.63 1.01 -1.26 -4.91 121.20 123.05 2i8a s ILE 1228Ca 0.34 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 61.20 2i8a s ILE 1228Cb -0.15 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.50 2i8a s ILE 1228CO 0.08 -0.13 1.17 -2.16 0.00 0.00 0.00 174.94 173.90 2i8a s PRO 1229N 2.27 1.76 0.39 2.79 0.04 -1.26 -5.03 135.00 135.96 2i8a s PRO 1229Ca 0.17 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 2i8a s PRO 1229Cb -0.16 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2i8a s PRO 1229CO 0.12 -2.09 0.53 0.27 0.04 0.00 0.00 177.00 175.87 2i8a n ASN 1230N -3.36 0.19 -0.28 6.66 2.04 -1.26 -4.92 115.26 114.32 2i8a n ASN 1230Ca 0.12 -1.28 -0.03 0.00 -0.44 0.00 0.00 54.58 52.95 2i8a n ASN 1230Cb 0.51 -0.39 0.14 0.00 -2.53 0.00 0.00 39.78 37.50 2i8a n ASN 1230CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2i8a h ALA 1231N -1.54 1.23 0.39 -2.53 0.00 -2.00 -3.13 119.26 111.69 2i8a h ALA 1231Ca -0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2i8a h ALA 1231Cb 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2i8a h ALA 1231CO 0.14 0.62 -0.19 1.49 0.00 0.00 0.00 179.25 181.30 2i8a h GLU 1232N 1.14 -0.51 -1.08 0.00 4.22 -2.00 -2.70 114.58 113.66 2i8a h GLU 1232Ca 0.29 0.03 0.42 0.00 0.08 0.00 0.00 59.36 60.18 2i8a h GLU 1232Cb 0.05 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.24 2i8a h GLU 1232CO -0.04 -0.34 0.62 1.15 -2.18 0.00 0.00 179.01 178.21 2i8a h THR 1233N -0.68 0.04 0.00 0.32 2.02 -1.95 1.78 112.91 114.45 2i8a h THR 1233Ca -0.05 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 2i8a h THR 1233Cb 0.40 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2i8a h THR 1233CO 0.09 0.01 -0.49 0.24 0.37 0.00 0.00 175.52 175.73 2i8a h MET 1234N 0.04 0.00 -0.14 6.66 2.86 -1.49 -2.95 114.93 119.91 2i8a h MET 1234Ca 0.84 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 58.29 2i8a h MET 1234Cb 2.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.96 2i8a h MET 1234CO -0.69 0.49 -0.71 0.87 1.06 0.00 0.00 176.91 177.93 2i8a h LYS 1235N 0.00 0.61 -0.54 1.72 1.79 0.31 -2.46 116.57 117.99 2i8a h LYS 1235Ca -0.00 -0.47 -0.05 0.00 -2.18 0.00 0.00 60.65 57.95 2i8a h LYS 1235Cb 0.93 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 2i8a h LYS 1235CO 0.06 1.09 0.13 0.37 -1.08 0.00 0.00 179.45 180.03 2i8a h GLN 1236N 0.43 0.82 -0.29 3.15 5.75 -1.33 -2.00 115.11 121.65 2i8a h GLN 1236Ca -0.03 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.20 2i8a h GLN 1236Cb 1.30 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 2i8a h GLN 1236CO 0.14 0.74 -0.21 1.15 -2.65 0.00 0.00 178.83 178.00 2i8a h THR 1237N 0.80 1.30 -0.09 2.39 2.02 -1.41 -2.67 112.91 115.24 2i8a h THR 1237Ca 0.18 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 66.03 2i8a h THR 1237Cb 0.29 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2i8a h THR 1237CO -0.00 0.43 -0.02 -0.08 0.37 0.00 0.00 175.52 176.21 2i8a h GLU 1238N 0.38 -0.00 -0.93 6.66 4.81 -1.32 -2.22 114.58 121.96 2i8a h GLU 1238Ca 0.05 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.45 2i8a h GLU 1238Cb 0.76 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 2i8a h GLU 1238CO 0.06 -0.00 0.59 0.77 -0.73 0.00 0.00 179.01 179.70 2i8a h SER 1239N -0.00 0.67 0.16 1.04 0.02 -1.33 0.46 113.55 114.57 2i8a h SER 1239Ca 0.04 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2i8a h SER 1239Cb 0.07 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2i8a h SER 1239CO -0.10 0.31 -0.08 -0.74 -1.14 0.00 0.00 176.83 175.08 2i8a h HIS 1240N 0.69 -0.21 -0.73 3.45 -0.00 -1.11 -1.73 115.15 115.51 2i8a h HIS 1240Ca 0.48 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 2i8a h HIS 1240Cb 0.82 0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 2i8a h HIS 1240CO -0.00 0.18 0.41 0.00 -0.00 0.00 0.00 177.93 178.52 2i8a h ALA 1241N 0.06 1.35 -0.76 5.26 0.00 -1.09 -2.06 119.26 122.02 2i8a h ALA 1241Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2i8a h ALA 1241Cb 0.48 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2i8a h ALA 1241CO 0.04 0.54 0.49 0.28 0.00 0.00 0.00 179.25 180.60 2i8a h VAL 1242N 1.01 1.20 -0.90 0.00 2.07 -0.91 -0.99 116.25 117.73 2i8a h VAL 1242Ca 0.26 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2i8a h VAL 1242Cb 0.01 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2i8a h VAL 1242CO -0.04 0.20 0.58 0.11 0.02 0.00 0.00 177.57 178.44 2i8a h LYS 1243N 1.04 1.19 -0.63 1.57 1.57 -0.74 -2.64 116.57 117.93 2i8a h LYS 1243Ca 0.28 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2i8a h LYS 1243Cb -0.09 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 31.93 2i8a h LYS 1243CO -0.06 0.80 0.17 0.82 -0.57 0.00 0.00 179.45 180.61 2i8a h ILE 1244N 1.22 1.25 -0.28 1.86 2.04 -0.84 -1.78 117.51 120.97 2i8a h ILE 1244Ca 0.33 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 2i8a h ILE 1244Cb -0.12 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2i8a h ILE 1244CO -0.07 0.34 -0.22 1.62 0.00 0.00 0.00 178.15 179.82 2i8a h VAL 1245N 0.91 1.26 -0.21 1.67 3.04 -0.88 0.36 116.25 122.40 2i8a h VAL 1245Ca 0.20 -1.22 -0.10 0.00 -1.01 0.00 0.00 66.70 64.57 2i8a h VAL 1245Cb 0.33 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2i8a h VAL 1245CO -0.00 0.39 -0.26 0.58 -1.01 0.00 0.00 177.57 177.27 2i8a h VAL 1246N 0.47 1.33 -0.86 1.51 2.07 -1.38 -1.20 116.25 118.19 2i8a h VAL 1246Ca 0.07 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2i8a h VAL 1246Cb 0.64 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2i8a h VAL 1246CO 0.05 0.45 0.52 -0.08 0.02 0.00 0.00 177.57 178.52 2i8a h GLU 1247N 0.22 1.16 -0.50 1.57 4.57 -1.12 -2.25 114.58 118.24 2i8a h GLU 1247Ca 0.03 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2i8a h GLU 1247Cb 0.83 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2i8a h GLU 1247CO 0.06 0.81 0.18 0.00 -1.18 0.00 0.00 179.01 178.88 2i8a h ALA 1248N 1.39 0.65 -0.92 2.92 0.00 -0.84 -2.88 119.26 119.58 2i8a h ALA 1248Ca 0.31 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2i8a h ALA 1248Cb -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 2i8a h ALA 1248CO -0.06 0.28 0.59 0.00 0.00 0.00 0.00 179.25 180.07 2i8a h ALA 1249N 1.03 1.60 -0.50 0.00 0.00 -0.65 -1.23 119.26 119.51 2i8a h ALA 1249Ca 0.16 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.21 2i8a h ALA 1249Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2i8a h ALA 1249CO -0.01 0.20 0.36 0.00 0.00 0.00 0.00 179.25 179.80 2i8a h ARG 1250N 0.92 0.05 -0.00 0.00 3.08 -1.22 -1.20 114.38 116.01 2i8a h ARG 1250Ca 0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2i8a h ARG 1250Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2i8a h ARG 1250CO -0.19 0.03 -0.19 0.54 -1.07 0.00 0.00 179.97 179.09 2i8a n ARG 1251N -4.41 0.61 -0.05 0.04 1.74 -0.47 -3.95 116.66 110.17 2i8a n ARG 1251Ca 0.09 -0.27 0.02 0.00 -0.77 0.00 0.00 57.85 56.92 2i8a n ARG 1251Cb 0.54 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.53 2i8a n ARG 1251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2i8a n LEU 1252N -0.96 2.04 0.00 0.55 4.77 -0.46 -5.04 117.00 117.90 2i8a n LEU 1252Ca 0.12 -1.65 0.15 0.00 -0.03 0.00 0.00 56.01 54.60 2i8a n LEU 1252Cb 0.31 -0.06 0.88 0.00 -2.33 0.00 0.00 43.42 42.22 2i8a n LEU 1252CO 0.26 0.49 1.05 0.18 -1.33 0.00 0.00 177.39 178.04