#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqq s SER 1002N 0.00 1.13 0.34 0.00 1.04 -1.26 -5.00 113.70 109.95 1bqq s SER 1002Ca 0.00 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.43 1bqq s SER 1002Cb 0.00 -0.37 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 1bqq s SER 1002CO 0.00 -0.14 0.36 0.00 0.98 0.00 0.00 173.24 174.44 1bqq s SER 1004N -4.06 5.42 -0.54 0.00 0.15 -1.26 -5.05 113.70 108.36 1bqq s SER 1004Ca 0.43 -0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 1bqq s SER 1004Cb -0.07 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1bqq s SER 1004CO 0.28 -0.02 1.73 -2.84 1.20 0.00 0.00 173.24 173.59 1bqq s PRO 1005N 1.56 2.95 0.11 5.44 0.02 -1.26 -5.01 135.00 138.81 1bqq s PRO 1005Ca 0.06 0.74 0.08 0.00 0.02 0.00 0.00 61.00 61.90 1bqq s PRO 1005Cb -0.15 -4.28 -0.04 0.00 0.02 0.00 0.00 34.50 30.05 1bqq s PRO 1005CO 0.05 -2.34 -0.13 0.14 -0.33 0.00 0.00 177.00 174.39 1bqq s VAL 1006N 7.84 3.18 0.18 3.83 -7.23 -1.26 -4.98 120.40 121.95 1bqq s VAL 1006Ca 0.66 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 1bqq s VAL 1006Cb -0.14 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 1bqq s VAL 1006CO 0.24 0.10 1.20 -2.28 -0.31 0.00 0.00 175.10 174.06 1bqq s HIS 1007N -1.20 3.42 0.23 2.82 2.46 -1.26 -4.90 115.29 116.86 1bqq s HIS 1007Ca 0.20 1.41 0.05 0.00 0.47 0.00 0.00 55.06 57.19 1bqq s HIS 1007Cb -0.11 -3.44 0.66 0.00 -0.13 0.00 0.00 32.58 29.56 1bqq s HIS 1007CO 0.13 -1.24 1.11 -2.30 -2.47 0.00 0.00 174.74 169.97 1bqq n PRO 1008N 2.61 -0.05 -0.17 2.88 -0.02 -1.26 -0.42 135.00 138.56 1bqq n PRO 1008Ca 0.05 1.04 -0.01 0.00 -2.02 0.00 0.00 63.50 62.56 1bqq n PRO 1008Cb 0.45 -1.71 0.24 0.00 -0.02 0.00 0.00 33.50 32.46 1bqq n PRO 1008CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1bqq h GLN 1009N 0.00 0.90 -0.02 -0.52 4.15 -1.93 0.50 115.11 118.20 1bqq h GLN 1009Ca 0.48 -0.10 -0.20 0.00 0.77 0.00 0.00 58.65 59.60 1bqq h GLN 1009Cb 1.09 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1bqq h GLN 1009CO -0.63 0.67 -0.84 0.37 -1.93 0.00 0.00 178.83 176.47 1bqq h GLN 1010N 0.91 0.28 -0.56 1.69 5.75 -1.12 -1.22 115.11 120.84 1bqq h GLN 1010Ca 0.23 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1bqq h GLN 1010Cb 0.04 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1bqq h GLN 1010CO -0.04 0.97 -0.01 0.00 -2.65 0.00 0.00 178.83 177.10 1bqq h ALA 1011N 0.94 0.92 -0.36 3.38 0.00 -1.27 0.19 119.26 123.06 1bqq h ALA 1011Ca -0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1bqq h ALA 1011Cb 1.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1bqq h ALA 1011CO 0.13 0.64 0.21 0.35 0.00 0.00 0.00 179.25 180.59 1bqq h PHE 1012N 0.89 0.48 0.00 0.00 3.04 -0.76 1.01 116.94 121.60 1bqq h PHE 1012Ca 0.16 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 1bqq h PHE 1012Cb 0.54 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1bqq h PHE 1012CO 0.03 0.36 -0.26 0.00 -2.02 0.00 0.00 178.31 176.43 1bqq h ASN 1014N 0.00 0.41 -2.93 0.00 4.21 0.21 -3.47 115.58 114.01 1bqq h ASN 1014Ca -0.00 -0.87 -0.57 0.00 1.21 0.00 0.00 56.30 56.06 1bqq h ASN 1014Cb 0.74 -0.13 0.09 0.00 -1.12 0.00 0.00 38.32 37.90 1bqq h ASN 1014CO 0.03 1.71 0.59 0.00 -1.29 0.00 0.00 177.43 178.47 1bqq n ALA 1015N -2.99 1.27 -0.07 -0.83 0.00 0.34 -4.91 120.51 113.32 1bqq n ALA 1015Ca -0.27 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1bqq n ALA 1015Cb 0.96 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 1bqq n ALA 1015CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bqq h ASP 1016N 3.69 0.66 -3.19 0.00 3.32 0.37 -3.44 116.42 117.84 1bqq h ASP 1016Ca -0.45 -0.51 -0.53 0.00 0.02 0.00 0.00 57.03 55.56 1bqq h ASP 1016Cb 1.27 -0.19 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 1bqq h ASP 1016CO 0.72 1.04 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.84 1bqq s ILE 1017N -4.20 1.02 -0.18 0.35 1.01 -0.80 -4.08 121.20 114.32 1bqq s ILE 1017Ca -0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1bqq s ILE 1017Cb 0.07 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1bqq s ILE 1017CO 0.82 0.36 0.04 -0.69 0.00 0.00 0.00 174.94 175.47 1bqq s VAL 1018N 1.71 4.56 0.25 2.92 1.01 -0.60 -1.77 120.40 128.47 1bqq s VAL 1018Ca 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1bqq s VAL 1018Cb -0.13 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1bqq s VAL 1018CO -0.08 0.45 0.48 0.27 0.00 0.00 0.00 175.10 176.22 1bqq s ILE 1019N 0.50 0.00 -0.11 2.22 -4.36 0.38 -0.61 121.20 119.23 1bqq s ILE 1019Ca 0.02 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 1bqq s ILE 1019Cb -0.13 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.37 1bqq s ILE 1019CO 0.01 0.00 -0.15 -0.60 0.24 0.00 0.00 174.94 174.44 1bqq s ARG 1020N -3.99 2.20 0.24 0.37 3.52 -0.54 0.05 118.95 120.81 1bqq s ARG 1020Ca 0.23 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 1bqq s ARG 1020Cb -0.01 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 1bqq s ARG 1020CO 0.09 -0.07 0.24 0.00 -0.81 0.00 0.00 175.30 174.76 1bqq n ALA 1021N 4.21 0.34 -2.83 6.12 0.00 -1.18 0.11 120.51 127.28 1bqq n ALA 1021Ca -0.19 -1.36 -0.14 0.00 0.00 0.00 0.00 53.44 51.75 1bqq n ALA 1021Cb 0.51 1.10 -0.12 0.00 0.00 0.00 0.00 19.45 20.94 1bqq n ALA 1021CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bqq s LYS 1022N -2.89 0.55 -0.17 0.00 2.36 -0.98 -2.44 119.74 116.18 1bqq s LYS 1022Ca 0.27 -0.69 -0.19 0.00 -2.55 0.00 0.00 55.97 52.81 1bqq s LYS 1022Cb 0.01 -0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 36.38 1bqq s LYS 1022CO 0.19 0.08 0.54 0.00 1.55 0.00 0.00 175.35 177.71 1bqq s ALA 1023N -1.17 3.51 0.00 3.13 0.00 -1.26 -0.57 121.76 125.40 1bqq s ALA 1023Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1bqq s ALA 1023Cb -0.09 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1bqq s ALA 1023CO 0.00 -0.30 0.00 0.28 0.00 0.00 0.00 175.76 175.74 1bqq n VAL 1024N 4.25 0.00 -1.53 0.00 0.31 0.42 -4.76 118.33 117.03 1bqq n VAL 1024Ca -0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 1bqq n VAL 1024Cb 0.51 -0.16 0.03 0.00 -0.91 0.00 0.00 33.84 33.31 1bqq n VAL 1024CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1bqq n ASN 1025N 0.00 7.27 -0.64 4.52 5.15 -1.21 -4.65 115.26 125.69 1bqq n ASN 1025Ca 0.00 -3.61 0.50 0.00 -0.60 0.00 0.00 54.58 50.87 1bqq n ASN 1025Cb 0.00 -1.07 0.80 0.00 -0.53 0.00 0.00 39.78 38.98 1bqq n ASN 1025CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1bqq h LYS 1026N 2.50 0.01 -5.50 1.20 -0.00 -1.83 -3.33 116.57 109.61 1bqq h LYS 1026Ca 0.52 -0.00 -0.32 0.00 -0.00 0.00 0.00 60.65 60.85 1bqq h LYS 1026Cb 0.50 -0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.69 1bqq h LYS 1026CO 1.30 0.00 0.98 -1.59 -0.00 0.00 0.00 179.45 180.15 1bqq s LYS 1027N -4.94 2.47 -0.27 0.07 -2.85 -1.26 -3.75 119.74 109.22 1bqq s LYS 1027Ca -0.05 -0.99 -0.22 0.00 -1.00 0.00 0.00 55.97 53.71 1bqq s LYS 1027Cb 0.27 -5.20 0.07 0.00 -2.06 0.00 0.00 37.83 30.91 1bqq s LYS 1027CO 0.88 -3.92 0.70 -2.00 0.10 0.00 0.00 175.35 171.11 1bqq s GLU 1028N 6.63 0.79 -0.03 1.78 2.56 -1.21 -5.02 118.70 124.19 1bqq s GLU 1028Ca 0.69 1.03 0.07 0.00 0.00 0.00 0.00 54.97 56.76 1bqq s GLU 1028Cb -0.02 0.33 -0.02 0.00 2.00 0.00 0.00 34.13 36.43 1bqq s GLU 1028CO 0.11 -0.11 -0.24 0.08 -0.56 0.00 0.00 175.26 174.54 1bqq s VAL 1029N 0.68 1.94 -0.05 3.70 1.01 -1.26 0.21 120.40 126.62 1bqq s VAL 1029Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1bqq s VAL 1029Cb -0.05 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1bqq s VAL 1029CO -0.04 0.55 -0.13 1.51 0.00 0.00 0.00 175.10 176.99 1bqq s ASP 1030N -0.42 1.76 1.01 3.32 -4.77 -0.21 -4.92 116.67 112.44 1bqq s ASP 1030Ca 0.05 -0.29 -0.03 0.00 -3.30 0.00 0.00 52.55 48.98 1bqq s ASP 1030Cb -0.11 -0.69 0.05 0.00 -1.09 0.00 0.00 42.92 41.08 1bqq s ASP 1030CO 0.01 0.07 0.25 -0.24 0.70 0.00 0.00 175.17 175.95 1bqq n SER 1031N 3.57 -0.18 0.00 2.11 2.88 -1.26 -3.15 113.62 117.60 1bqq n SER 1031Ca -0.21 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1bqq n SER 1031Cb 0.52 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1bqq n SER 1031CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bqq n GLY 1032N 2.99 -0.50 3.55 0.46 0.00 -1.18 -4.73 105.19 105.78 1bqq n GLY 1032Ca 0.03 0.50 0.02 0.00 0.00 0.00 0.00 46.02 46.57 1bqq n GLY 1032CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bqq s ASN 1033N -4.00 -0.08 0.37 1.61 -0.87 -1.26 -4.17 114.94 106.54 1bqq s ASN 1033Ca 0.00 0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 1bqq s ASN 1033Cb 0.00 1.05 0.00 0.00 -0.02 0.00 0.00 41.25 42.28 1bqq s ASN 1033CO 0.00 -0.02 0.00 0.47 -2.57 0.00 0.00 177.10 174.98 1bqq n ASP 1034N 3.41 0.00 0.01 -1.22 8.00 0.69 -4.41 116.55 123.04 1bqq n ASP 1034Ca -0.15 -0.40 -0.08 0.00 0.71 0.00 0.00 54.79 54.87 1bqq n ASP 1034Cb 0.56 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 1bqq n ASP 1034CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1bqq h ILE 1035N -0.37 1.17 -0.43 0.53 2.10 -1.99 -3.24 117.51 115.27 1bqq h ILE 1035Ca 0.00 -2.97 0.00 0.00 1.08 0.00 0.00 64.86 62.97 1bqq h ILE 1035Cb 0.00 2.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1bqq h ILE 1035CO 0.00 0.67 0.00 -1.22 -1.08 0.00 0.00 178.15 176.52 1bqq n TYR 1036N -3.16 0.68 0.00 2.19 4.01 -1.26 -4.98 117.16 114.64 1bqq n TYR 1036Ca -0.11 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1bqq n TYR 1036Cb 1.01 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1bqq n TYR 1036CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqq n GLY 1037N 1.09 0.87 0.00 2.72 0.00 -1.22 -5.05 105.19 103.60 1bqq n GLY 1037Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1bqq n GLY 1037CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bqq n ASN 1038N 2.45 0.00 -4.67 1.61 6.94 -1.26 -0.20 115.26 120.13 1bqq n ASN 1038Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1bqq n ASN 1038Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1bqq n ASN 1038CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1bqq n PRO 1039N 0.00 1.66 -2.80 -0.53 -0.04 -1.26 0.25 135.00 132.28 1bqq n PRO 1039Ca 0.00 0.59 -0.39 0.00 -0.04 0.00 0.00 63.50 63.66 1bqq n PRO 1039Cb 0.00 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 1bqq n PRO 1039CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1bqq s ILE 1040N -1.26 4.15 -0.22 0.52 1.01 -1.26 -4.53 121.20 119.62 1bqq s ILE 1040Ca 0.64 1.96 -0.06 0.00 0.00 0.00 0.00 60.65 63.19 1bqq s ILE 1040Cb -0.50 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 1bqq s ILE 1040CO 0.56 0.42 0.03 -0.54 0.00 0.00 0.00 174.94 175.41 1bqq s LYS 1041N -1.37 3.65 -0.05 2.79 1.02 -1.26 -3.09 119.74 121.43 1bqq s LYS 1041Ca 0.42 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.88 1bqq s LYS 1041Cb -0.24 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1bqq s LYS 1041CO 0.29 -0.07 0.12 1.03 -0.92 0.00 0.00 175.35 175.81 1bqq s ARG 1042N 1.24 0.12 -0.04 1.68 0.52 -1.19 -4.43 118.95 116.85 1bqq s ARG 1042Ca 0.04 0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 55.26 1bqq s ARG 1042Cb -0.15 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 1bqq s ARG 1042CO 0.02 -0.07 0.63 0.42 0.02 0.00 0.00 175.30 176.32 1bqq s ILE 1043N 0.42 5.00 -0.27 1.52 -1.09 -0.93 -1.04 121.20 124.81 1bqq s ILE 1043Ca -0.03 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1bqq s ILE 1043Cb -0.04 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1bqq s ILE 1043CO -0.02 0.33 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.38 1bqq s GLN 1044N 0.34 2.43 0.16 2.79 0.74 0.55 -2.30 119.66 124.38 1bqq s GLN 1044Ca 0.33 -1.24 -0.15 0.00 0.05 0.00 0.00 55.36 54.35 1bqq s GLN 1044Cb -0.18 -3.01 -0.07 0.00 1.10 0.00 0.00 33.01 30.86 1bqq s GLN 1044CO 0.17 -0.55 0.58 0.71 -0.55 0.00 0.00 175.29 175.65 1bqq s TYR 1045N 1.20 3.61 -0.49 1.67 2.02 -0.56 -3.30 117.35 121.49 1bqq s TYR 1045Ca -0.06 1.12 -0.06 0.00 -0.37 0.00 0.00 57.07 57.70 1bqq s TYR 1045Cb -0.19 -2.41 0.13 0.00 -0.40 0.00 0.00 41.96 39.08 1bqq s TYR 1045CO -0.04 0.40 0.34 -2.00 -1.57 0.00 0.00 175.55 172.68 1bqq s GLU 1046N -2.00 2.39 0.46 -0.62 2.12 -1.25 -2.47 118.70 117.33 1bqq s GLU 1046Ca 0.39 -1.95 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1bqq s GLU 1046Cb -0.15 -3.81 -0.00 0.00 0.26 0.00 0.00 34.13 30.43 1bqq s GLU 1046CO 0.19 -1.16 0.69 0.96 -0.54 0.00 0.00 175.26 175.41 1bqq s ILE 1047N 0.99 3.93 -0.45 -3.70 -4.36 -1.10 -0.43 121.20 116.08 1bqq s ILE 1047Ca 0.09 -0.47 0.02 0.00 -0.26 0.00 0.00 60.65 60.03 1bqq s ILE 1047Cb -0.23 -3.46 0.14 0.00 1.25 0.00 0.00 42.46 40.15 1bqq s ILE 1047CO -0.03 -0.33 0.24 -0.75 0.24 0.00 0.00 174.94 174.31 1bqq s LYS 1048N -4.59 1.34 -0.04 0.37 2.47 0.26 -4.25 119.74 115.31 1bqq s LYS 1048Ca 0.49 -2.06 -0.37 0.00 -1.56 0.00 0.00 55.97 52.48 1bqq s LYS 1048Cb -0.10 -2.41 -0.15 0.00 -1.46 0.00 0.00 37.83 33.71 1bqq s LYS 1048CO 0.38 -1.16 1.60 0.94 0.16 0.00 0.00 175.35 177.28 1bqq n GLN 1049N 3.50 1.53 -0.10 4.03 7.27 -1.26 -2.31 117.38 130.04 1bqq n GLN 1049Ca 0.09 0.55 -0.17 0.00 0.07 0.00 0.00 57.00 57.54 1bqq n GLN 1049Cb 0.34 -2.27 -0.08 0.00 2.41 0.00 0.00 30.24 30.65 1bqq n GLN 1049CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1bqq n ILE 1050N 3.79 1.50 -4.07 1.69 5.41 0.31 -4.94 119.36 123.04 1bqq n ILE 1050Ca 0.21 0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.90 1bqq n ILE 1050Cb 0.21 -2.15 -0.09 0.00 -0.71 0.00 0.00 39.64 36.89 1bqq n ILE 1050CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1bqq s LYS 1051N -2.36 0.80 -0.37 0.38 -0.14 -0.98 -5.00 119.74 112.07 1bqq s LYS 1051Ca -0.25 -1.26 0.02 0.00 -1.36 0.00 0.00 55.97 53.11 1bqq s LYS 1051Cb 0.05 0.25 0.11 0.00 -1.68 0.00 0.00 37.83 36.57 1bqq s LYS 1051CO 0.46 -0.21 0.14 1.41 -0.76 0.00 0.00 175.35 176.39 1bqq s MET 1052N -3.96 1.16 0.30 1.68 -2.45 -1.26 -1.46 119.30 113.31 1bqq s MET 1052Ca 0.14 -1.66 0.02 0.00 -1.25 0.00 0.00 55.69 52.94 1bqq s MET 1052Cb 0.07 -2.49 0.49 0.00 1.25 0.00 0.00 34.83 34.16 1bqq s MET 1052CO -0.05 -1.04 1.82 0.74 1.05 0.00 0.00 175.02 177.54 1bqq h PHE 1053N 7.46 0.63 -3.68 4.11 0.04 -1.16 -3.45 116.94 120.90 1bqq h PHE 1053Ca -0.07 -0.08 -0.16 0.00 2.80 0.00 0.00 57.97 60.46 1bqq h PHE 1053Cb 0.98 -0.18 -0.21 0.00 2.20 0.00 0.00 35.95 38.74 1bqq h PHE 1053CO 0.43 0.63 -0.58 0.21 -0.60 0.00 0.00 178.31 178.40 1bqq s LYS 1054N -4.90 0.38 0.00 1.51 2.20 -0.63 -4.89 119.74 113.41 1bqq s LYS 1054Ca -0.08 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1bqq s LYS 1054Cb 0.15 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1bqq s LYS 1054CO 0.78 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1bqq n GLY 1055N 1.69 -0.62 3.97 5.54 0.00 -1.26 -1.56 105.19 112.95 1bqq n GLY 1055Ca -0.22 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.36 1bqq n GLY 1055CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bqq s PRO 1056N -0.03 2.03 0.11 1.61 0.02 -1.26 -5.05 135.00 132.43 1bqq s PRO 1056Ca 0.00 -0.80 -0.31 0.00 0.02 0.00 0.00 61.00 59.91 1bqq s PRO 1056Cb 0.00 -2.33 -0.08 0.00 0.02 0.00 0.00 34.50 32.11 1bqq s PRO 1056CO 0.00 -1.19 1.38 0.16 -0.33 0.00 0.00 177.00 177.01 1bqq s ASP 1057N -4.59 6.84 0.27 2.53 1.47 -1.26 -4.99 116.67 116.94 1bqq s ASP 1057Ca 0.62 2.31 -0.11 0.00 1.18 0.00 0.00 52.55 56.55 1bqq s ASP 1057Cb -0.08 -2.59 0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1bqq s ASP 1057CO 0.43 -0.64 0.59 0.00 0.68 0.00 0.00 175.17 176.22 1bqq n GLN 1058N 3.95 0.80 -3.70 2.11 6.02 -1.26 -5.10 117.38 120.20 1bqq n GLN 1058Ca 0.11 -1.57 -0.29 0.00 -0.01 0.00 0.00 57.00 55.25 1bqq n GLN 1058Cb 0.43 1.97 -0.12 0.00 1.02 0.00 0.00 30.24 33.53 1bqq n GLN 1058CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bqq s ASP 1059N -2.52 3.50 -0.66 1.08 2.15 -1.26 -5.06 116.67 113.91 1bqq s ASP 1059Ca 0.12 -2.99 -0.21 0.00 0.43 0.00 0.00 52.55 49.90 1bqq s ASP 1059Cb -0.03 -1.07 0.09 0.00 -0.30 0.00 0.00 42.92 41.61 1bqq s ASP 1059CO 0.08 -0.21 0.88 -0.63 -0.17 0.00 0.00 175.17 175.13 1bqq s ILE 1060N -0.12 4.56 -0.22 4.11 1.01 -1.23 -4.45 121.20 124.86 1bqq s ILE 1060Ca 0.22 -0.73 0.11 0.00 0.00 0.00 0.00 60.65 60.25 1bqq s ILE 1060Cb -0.15 -4.62 0.43 0.00 0.01 0.00 0.00 42.46 38.13 1bqq s ILE 1060CO -0.07 -1.34 1.24 -0.62 0.00 0.00 0.00 174.94 174.15 1bqq n GLU 1061N 7.05 1.61 -3.66 2.79 1.02 -1.12 -4.13 120.64 124.19 1bqq n GLU 1061Ca -0.03 -3.29 -0.08 0.00 -0.02 0.00 0.00 57.16 53.74 1bqq n GLU 1061Cb 0.45 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 1bqq n GLU 1061CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1bqq s PHE 1062N -3.24 -0.82 -0.11 -0.32 0.08 -1.25 -2.73 117.98 109.60 1bqq s PHE 1062Ca 0.38 1.57 0.03 0.00 0.12 0.00 0.00 56.93 59.04 1bqq s PHE 1062Cb 0.37 0.35 0.01 0.00 -0.57 0.00 0.00 43.02 43.18 1bqq s PHE 1062CO -0.06 -0.48 -0.21 0.42 -0.10 0.00 0.00 175.22 174.80 1bqq s ILE 1063N 2.41 1.85 -0.30 0.64 -1.09 -1.03 -1.48 121.20 122.19 1bqq s ILE 1063Ca -0.04 -0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1bqq s ILE 1063Cb -0.11 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 1bqq s ILE 1063CO -0.13 0.51 0.06 -0.31 -1.23 0.00 0.00 174.94 173.84 1bqq s TYR 1064N 0.61 3.16 0.39 3.97 2.02 0.22 -1.50 117.35 126.21 1bqq s TYR 1064Ca -0.13 -1.14 0.06 0.00 -0.37 0.00 0.00 57.07 55.48 1bqq s TYR 1064Cb -0.17 -2.23 -0.07 0.00 -0.40 0.00 0.00 41.96 39.09 1bqq s TYR 1064CO 0.04 -0.63 0.02 -0.08 -1.57 0.00 0.00 175.55 173.34 1bqq s THR 1065N 1.46 1.74 0.33 -0.71 -1.32 -0.97 -1.22 115.64 114.94 1bqq s THR 1065Ca 0.01 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.30 1bqq s THR 1065Cb -0.18 -2.92 -0.09 0.00 -1.51 0.00 0.00 72.50 67.80 1bqq s THR 1065CO 0.01 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.25 1bqq s ALA 1066N -2.88 3.25 0.27 11.08 0.00 -1.26 -2.20 121.76 130.02 1bqq s ALA 1066Ca 0.35 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 1bqq s ALA 1066Cb 0.09 -2.96 0.38 0.00 0.00 0.00 0.00 23.12 20.64 1bqq s ALA 1066CO 0.17 0.25 1.75 -1.35 0.00 0.00 0.00 175.76 176.58 1bqq h PRO 1067N 2.62 0.67 -5.90 0.00 0.11 -1.94 -3.00 132.00 124.56 1bqq h PRO 1067Ca -0.48 -0.20 -0.65 0.00 0.11 0.00 0.00 66.00 64.78 1bqq h PRO 1067Cb 1.18 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 1bqq h PRO 1067CO 0.64 0.75 -0.54 0.00 -0.21 0.00 0.00 178.00 178.64 1bqq s ALA 1068N -4.82 3.75 0.45 -0.75 0.00 -1.26 -4.89 121.76 114.25 1bqq s ALA 1068Ca -0.08 -0.81 0.18 0.00 0.00 0.00 0.00 51.96 51.24 1bqq s ALA 1068Cb 0.14 -1.73 1.14 0.00 0.00 0.00 0.00 23.12 22.68 1bqq s ALA 1068CO 0.80 0.71 2.03 0.00 0.00 0.00 0.00 175.76 179.30 1bqq h ALA 1069N 4.04 1.62 0.21 0.00 0.00 -1.87 0.11 119.26 123.37 1bqq h ALA 1069Ca -0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1bqq h ALA 1069Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bqq h ALA 1069CO 0.65 0.19 -0.10 0.00 0.00 0.00 0.00 179.25 179.99 1bqq h ALA 1070N 1.84 -0.28 0.00 0.00 0.00 -1.94 -2.31 119.26 116.57 1bqq h ALA 1070Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bqq h ALA 1070Cb 0.30 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bqq h ALA 1070CO 0.02 -0.60 0.00 0.28 0.00 0.00 0.00 179.25 178.95 1bqq n VAL 1071N -5.16 0.00 -0.03 0.00 0.31 -1.08 0.93 118.33 113.29 1bqq n VAL 1071Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1bqq n VAL 1071Cb 0.17 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1bqq n VAL 1071CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqq n GLY 1073N -2.00 -3.09 2.77 0.00 0.00 0.38 -1.15 105.19 102.10 1bqq n GLY 1073Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1bqq n GLY 1073CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqq s VAL 1074N -1.96 0.70 -0.09 1.61 1.01 -1.13 -4.38 120.40 116.16 1bqq s VAL 1074Ca 0.57 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1bqq s VAL 1074Cb -0.46 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1bqq s VAL 1074CO 0.66 -0.23 0.01 -0.55 0.00 0.00 0.00 175.10 174.99 1bqq s SER 1075N 1.77 5.29 0.31 3.32 0.15 -1.26 -4.79 113.70 118.50 1bqq s SER 1075Ca -0.01 0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.55 1bqq s SER 1075Cb -0.17 -1.50 -0.10 0.00 -1.71 0.00 0.00 66.02 62.54 1bqq s SER 1075CO -0.09 0.38 0.91 -0.76 1.20 0.00 0.00 173.24 174.88 1bqq s LEU 1076N -0.89 4.32 0.00 3.45 1.43 -1.26 -5.05 118.68 120.68 1bqq s LEU 1076Ca 0.13 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1bqq s LEU 1076Cb -0.11 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1bqq s LEU 1076CO 0.02 -0.07 0.00 -0.90 0.23 0.00 0.00 176.35 175.64 1bqq n ASP 1077N 0.53 -1.67 0.00 2.29 5.68 -1.26 -4.86 116.55 117.26 1bqq n ASP 1077Ca 0.02 -0.02 0.07 0.00 -0.50 0.00 0.00 54.79 54.35 1bqq n ASP 1077Cb 0.50 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.87 1bqq n ASP 1077CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bqq n ILE 1078N -2.69 0.00 -2.75 2.12 0.13 -1.26 -4.79 119.36 110.12 1bqq n ILE 1078Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.30 1bqq n ILE 1078Cb 0.00 -0.45 -0.06 0.00 -0.84 0.00 0.00 39.64 38.29 1bqq n ILE 1078CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1bqq s GLY 1079N -1.71 2.55 0.00 4.50 0.00 -1.26 -5.05 107.32 106.35 1bqq s GLY 1079Ca 0.20 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.40 1bqq s GLY 1079CO 0.15 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.69 1bqq n GLY 1080N -0.17 0.41 0.00 0.20 0.00 -1.26 -4.79 105.19 99.58 1bqq n GLY 1080Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1bqq n GLY 1080CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bqq n LYS 1081N 0.00 0.00 -1.04 1.61 2.85 -1.26 -4.61 118.16 115.71 1bqq n LYS 1081Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 1bqq n LYS 1081Cb 0.00 -1.45 -0.01 0.00 -0.65 0.00 0.00 35.03 32.92 1bqq n LYS 1081CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1bqq n LYS 1082N -0.89 0.00 -4.39 -1.58 4.76 -1.26 -4.78 118.16 110.02 1bqq n LYS 1082Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1bqq n LYS 1082Cb 0.00 -0.78 -0.13 0.00 -1.84 0.00 0.00 35.03 32.28 1bqq n LYS 1082CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1bqq s GLU 1083N -0.78 3.59 0.50 1.97 8.01 -1.26 -4.16 118.70 126.56 1bqq s GLU 1083Ca 0.48 -0.56 0.01 0.00 0.01 0.00 0.00 54.97 54.91 1bqq s GLU 1083Cb -0.57 -2.89 0.01 0.00 -4.31 0.00 0.00 34.13 26.38 1bqq s GLU 1083CO 0.48 0.17 0.10 0.66 0.01 0.00 0.00 175.26 176.68 1bqq n TYR 1084N 3.72 0.68 -4.82 1.61 4.02 -1.02 0.49 117.16 121.84 1bqq n TYR 1084Ca -0.18 -2.37 -0.27 0.00 -0.01 0.00 0.00 57.90 55.07 1bqq n TYR 1084Cb 0.52 -0.35 -0.16 0.00 -0.02 0.00 0.00 39.34 39.33 1bqq n TYR 1084CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1bqq s LEU 1085N 0.00 1.85 -0.14 7.72 2.96 0.30 -3.13 118.68 128.24 1bqq s LEU 1085Ca 0.08 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1bqq s LEU 1085Cb -0.01 -1.00 0.03 0.00 0.50 0.00 0.00 46.19 45.71 1bqq s LEU 1085CO 0.05 0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.48 1bqq s ILE 1086N 0.33 1.19 -0.21 6.68 1.01 0.11 -2.58 121.20 127.74 1bqq s ILE 1086Ca -0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1bqq s ILE 1086Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1bqq s ILE 1086CO 0.04 0.29 -0.11 0.00 0.00 0.00 0.00 174.94 175.15 1bqq s ALA 1087N 1.62 2.59 0.00 9.38 0.00 -0.94 -0.47 121.76 133.94 1bqq s ALA 1087Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1bqq s ALA 1087Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1bqq s ALA 1087CO -0.08 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1bqq n GLY 1088N 4.70 2.26 3.70 0.00 0.00 -0.73 -3.88 105.19 111.25 1bqq n GLY 1088Ca -0.19 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1bqq n GLY 1088CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bqq s LYS 1089N -1.25 4.29 0.48 1.61 -0.14 -1.25 0.10 119.74 123.59 1bqq s LYS 1089Ca 0.00 0.46 -0.23 0.00 -1.36 0.00 0.00 55.97 54.84 1bqq s LYS 1089Cb 0.00 -3.48 -0.07 0.00 -1.68 0.00 0.00 37.83 32.60 1bqq s LYS 1089CO 0.00 0.04 1.24 0.00 -0.76 0.00 0.00 175.35 175.86 1bqq s ALA 1090N 1.02 2.95 0.00 5.17 0.00 -1.26 -2.39 121.76 127.25 1bqq s ALA 1090Ca 0.26 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1bqq s ALA 1090Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1bqq s ALA 1090CO 0.10 -0.89 0.00 -1.91 0.00 0.00 0.00 175.76 173.07 1bqq n GLU 1091N -0.59 0.00 0.00 0.00 4.07 -0.56 -4.66 120.64 118.89 1bqq n GLU 1091Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1bqq n GLU 1091Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1bqq n GLU 1091CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bqq n GLY 1092N 3.83 1.67 0.88 8.31 0.00 -1.11 -4.97 105.19 113.79 1bqq n GLY 1092Ca 0.00 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 44.17 1bqq n GLY 1092CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bqq n ASN 1093N 0.00 2.57 -0.57 1.61 4.13 -1.26 -4.08 115.26 117.66 1bqq n ASN 1093Ca 0.00 -1.93 -0.00 0.00 1.68 0.00 0.00 54.58 54.32 1bqq n ASN 1093Cb 0.00 -0.27 -0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1bqq n ASN 1093CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bqq n GLY 1094N 1.29 0.83 3.83 7.41 0.00 -1.26 -4.71 105.19 112.58 1bqq n GLY 1094Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1bqq n GLY 1094CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bqq s ASN 1095N -0.39 0.00 0.24 1.61 2.20 -1.26 -2.81 114.94 114.53 1bqq s ASN 1095Ca 0.01 -1.01 -0.19 0.00 -0.94 0.00 0.00 52.86 50.73 1bqq s ASN 1095Cb 0.01 0.75 0.03 0.00 -2.00 0.00 0.00 41.25 40.04 1bqq s ASN 1095CO -0.01 -1.49 0.62 0.00 -2.94 0.00 0.00 177.10 173.29 1bqq s MET 1096N -2.27 1.58 0.04 3.55 0.23 -0.55 -1.50 119.30 120.38 1bqq s MET 1096Ca 0.17 -0.91 0.04 0.00 -1.03 0.00 0.00 55.69 53.96 1bqq s MET 1096Cb -0.04 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.79 1bqq s MET 1096CO 0.10 -0.70 -0.03 -3.38 -2.03 0.00 0.00 175.02 168.97 1bqq s HIS 1097N -3.90 2.96 0.20 3.16 -3.43 -1.00 0.70 115.29 113.98 1bqq s HIS 1097Ca 0.10 -0.02 0.05 0.00 -0.80 0.00 0.00 55.06 54.40 1bqq s HIS 1097Cb -0.03 -1.58 -0.05 0.00 -1.43 0.00 0.00 32.58 29.49 1bqq s HIS 1097CO 0.02 0.44 -0.07 -1.50 -2.00 0.00 0.00 174.74 171.63 1bqq s ILE 1098N -1.15 1.27 0.12 -5.38 1.10 -0.35 -3.75 121.20 113.06 1bqq s ILE 1098Ca 0.21 -2.09 -0.06 0.00 -0.51 0.00 0.00 60.65 58.21 1bqq s ILE 1098Cb -0.11 -2.11 -0.02 0.00 0.15 0.00 0.00 42.46 40.36 1bqq s ILE 1098CO 0.13 -0.53 0.15 0.28 -2.11 0.00 0.00 174.94 172.86 1bqq s THR 1099N -3.26 0.12 0.59 4.00 -1.32 -1.26 -4.39 115.64 110.11 1bqq s THR 1099Ca 0.23 -1.54 0.29 0.00 -1.21 0.00 0.00 61.69 59.46 1bqq s THR 1099Cb 0.03 -1.71 0.37 0.00 -1.51 0.00 0.00 72.50 69.68 1bqq s THR 1099CO 0.06 -0.54 2.00 0.25 -2.21 0.00 0.00 174.62 174.17 1bqq h LEU 1100N 2.78 0.00 -0.70 9.08 6.46 -1.34 0.07 115.31 131.65 1bqq h LEU 1100Ca -0.34 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1bqq h LEU 1100Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1bqq h LEU 1100CO 0.56 0.00 -0.10 0.00 -0.62 0.00 0.00 178.44 178.28 1bqq s ASP 1102N -2.21 6.32 -1.00 0.00 1.01 0.01 -4.93 116.67 115.88 1bqq s ASP 1102Ca 0.33 0.96 -0.23 0.00 0.71 0.00 0.00 52.55 54.32 1bqq s ASP 1102Cb 0.20 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.90 1bqq s ASP 1102CO 0.41 -0.52 1.59 0.12 0.21 0.00 0.00 175.17 176.98 1bqq s PHE 1103N -2.63 2.34 -0.30 4.23 5.36 -1.25 -4.90 117.98 120.82 1bqq s PHE 1103Ca 0.48 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1bqq s PHE 1103Cb -0.10 -4.52 0.09 0.00 -0.34 0.00 0.00 43.02 38.15 1bqq s PHE 1103CO 0.41 -1.88 0.05 0.42 -1.46 0.00 0.00 175.22 172.76 1bqq s ILE 1104N 6.37 1.54 0.02 3.12 1.01 -1.26 -2.22 121.20 129.79 1bqq s ILE 1104Ca 0.53 -1.72 0.05 0.00 0.00 0.00 0.00 60.65 59.51 1bqq s ILE 1104Cb -0.02 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1bqq s ILE 1104CO -0.07 -0.53 -0.14 0.68 0.00 0.00 0.00 174.94 174.88 1bqq s VAL 1105N 1.30 1.12 -0.12 2.92 -7.23 -1.06 -4.92 120.40 112.40 1bqq s VAL 1105Ca 0.07 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 1bqq s VAL 1105Cb -0.18 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1bqq s VAL 1105CO -0.15 0.13 1.85 -2.84 -0.31 0.00 0.00 175.10 173.78 1bqq s PRO 1106N -0.83 3.80 0.25 4.82 0.02 -1.26 -0.54 135.00 141.26 1bqq s PRO 1106Ca 0.03 2.09 0.19 0.00 0.02 0.00 0.00 61.00 63.33 1bqq s PRO 1106Cb -0.07 -4.14 0.83 0.00 0.02 0.00 0.00 34.50 31.14 1bqq s PRO 1106CO 0.01 -1.31 0.85 1.87 -0.33 0.00 0.00 177.00 178.09 1bqq n TRP 1107N 8.72 0.34 -0.25 6.54 -0.00 0.18 0.37 117.44 133.34 1bqq n TRP 1107Ca 0.21 0.35 -0.03 0.00 -0.00 0.00 0.00 57.50 58.03 1bqq n TRP 1107Cb 0.44 -0.71 0.14 0.00 -0.00 0.00 0.00 31.31 31.17 1bqq n TRP 1107CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1bqq h ASP 1108N 0.00 0.98 -0.16 5.87 1.82 -1.89 -2.97 116.42 120.08 1bqq h ASP 1108Ca 0.49 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1bqq h ASP 1108Cb 1.61 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1bqq h ASP 1108CO -0.23 0.84 0.00 0.35 -1.61 0.00 0.00 179.24 178.59 1bqq n THR 1109N -4.31 0.21 -2.82 2.25 -2.24 0.16 -4.89 114.28 102.64 1bqq n THR 1109Ca 0.07 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1bqq n THR 1109Cb 0.15 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1bqq n THR 1109CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1bqq s LEU 1110N -1.41 4.25 0.38 3.22 2.96 -1.12 -5.01 118.68 121.95 1bqq s LEU 1110Ca 0.27 1.36 -0.27 0.00 -0.22 0.00 0.00 54.13 55.28 1bqq s LEU 1110Cb 0.14 -3.36 -0.11 0.00 0.50 0.00 0.00 46.19 43.36 1bqq s LEU 1110CO 0.21 -0.35 1.35 -1.54 -1.32 0.00 0.00 176.35 174.71 1bqq n SER 1111N 4.76 3.05 -0.19 3.68 3.41 -1.26 -4.78 113.62 122.28 1bqq n SER 1111Ca 0.05 1.18 0.23 0.00 -0.26 0.00 0.00 58.87 60.07 1bqq n SER 1111Cb 0.49 -1.54 0.62 0.00 -0.26 0.00 0.00 64.21 63.52 1bqq n SER 1111CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bqq h ALA 1112N 2.50 2.50 -0.15 7.33 0.00 -1.95 0.11 119.26 129.60 1bqq h ALA 1112Ca -0.48 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1bqq h ALA 1112Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1bqq h ALA 1112CO 0.62 -0.76 -0.54 1.15 0.00 0.00 0.00 179.25 179.72 1bqq h THR 1113N 0.20 1.34 -0.48 0.00 2.02 -1.89 -2.87 112.91 111.23 1bqq h THR 1113Ca 0.43 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.77 1bqq h THR 1113Cb 1.38 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 1bqq h THR 1113CO -0.09 0.55 0.16 1.56 0.37 0.00 0.00 175.52 178.07 1bqq h GLN 1114N 0.34 0.74 -0.04 6.66 4.20 -0.91 -3.15 115.11 122.95 1bqq h GLN 1114Ca 0.01 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.59 1bqq h GLN 1114Cb 1.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1bqq h GLN 1114CO 0.10 0.69 -0.13 1.57 -0.67 0.00 0.00 178.83 180.38 1bqq h LYS 1115N 0.64 -0.19 0.00 1.46 2.10 -1.14 -2.66 116.57 116.78 1bqq h LYS 1115Ca 0.16 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1bqq h LYS 1115Cb 0.25 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1bqq h LYS 1115CO -0.01 -0.13 0.00 0.36 -2.00 0.00 0.00 179.45 177.67 1bqq n LYS 1116N -5.27 0.78 -0.00 0.07 2.85 -1.10 -2.73 118.16 112.76 1bqq n LYS 1116Ca -0.05 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.25 1bqq n LYS 1116Cb 0.19 -1.24 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 1bqq n LYS 1116CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1bqq n SER 1117N -0.74 1.41 0.06 -5.58 7.64 -1.02 -3.72 113.62 111.68 1bqq n SER 1117Ca 0.09 -0.43 0.09 0.00 1.01 0.00 0.00 58.87 59.63 1bqq n SER 1117Cb 0.04 1.12 0.37 0.00 -1.01 0.00 0.00 64.21 64.74 1bqq n SER 1117CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bqq n LEU 1118N -1.38 0.31 0.00 -3.43 4.77 -1.11 -1.16 117.00 115.00 1bqq n LEU 1118Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1bqq n LEU 1118Cb 0.14 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1bqq n LEU 1118CO 0.15 -0.45 -0.44 -0.46 -1.33 0.00 0.00 177.39 174.86 1bqq n ASN 1119N -1.85 4.40 0.00 -1.43 0.23 -1.26 -4.77 115.26 110.58 1bqq n ASN 1119Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1bqq n ASN 1119Cb 0.17 0.48 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1bqq n ASN 1119CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1bqq n HIS 1120N -1.78 0.00 0.31 -2.53 8.25 -1.08 -4.84 115.22 113.56 1bqq n HIS 1120Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 1bqq n HIS 1120Cb 0.40 0.00 1.02 0.00 1.12 0.00 0.00 29.99 32.53 1bqq n HIS 1120CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bqq h ARG 1121N 0.00 0.00 0.06 -0.41 3.08 -1.73 -3.26 114.38 112.12 1bqq h ARG 1121Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bqq h ARG 1121Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bqq h ARG 1121CO 0.00 0.02 -0.03 1.88 -1.07 0.00 0.00 179.97 180.77 1bqq h TYR 1122N 0.00 -0.08 0.00 3.04 0.05 -1.48 -2.87 116.97 115.63 1bqq h TYR 1122Ca -0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1bqq h TYR 1122Cb 0.08 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1bqq h TYR 1122CO 0.00 0.08 -0.05 0.37 -1.05 0.00 0.00 178.16 177.52 1bqq h GLN 1123N -0.23 0.00 0.14 4.88 4.15 -1.77 -1.63 115.11 120.65 1bqq h GLN 1123Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1bqq h GLN 1123Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1bqq h GLN 1123CO 0.01 0.05 -0.07 0.52 -1.93 0.00 0.00 178.83 177.41 1bqq h MET 1124N 0.00 -0.18 0.00 1.69 2.86 -1.69 -3.08 114.93 114.53 1bqq h MET 1124Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1bqq h MET 1124Cb 0.12 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1bqq h MET 1124CO 0.01 0.12 0.05 0.41 1.06 0.00 0.00 176.91 178.56 1bqq n GLY 1125N -0.36 -0.42 0.22 8.32 0.00 -0.62 -2.10 105.19 110.23 1bqq n GLY 1125Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1bqq n GLY 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqq h GLU 1127N 0.00 0.00 -5.79 0.00 4.39 -1.66 -3.46 114.58 108.07 1bqq h GLU 1127Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 1bqq h GLU 1127Cb 0.35 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1bqq h GLU 1127CO 0.00 0.02 -0.28 0.00 -1.16 0.00 0.00 179.01 177.59 1bqq s LYS 1129N -0.55 4.18 0.22 0.00 1.02 -1.07 -4.96 119.74 118.58 1bqq s LYS 1129Ca 0.20 0.46 -0.00 0.00 0.02 0.00 0.00 55.97 56.65 1bqq s LYS 1129Cb -0.15 -3.34 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1bqq s LYS 1129CO 0.09 0.40 0.30 0.44 -0.92 0.00 0.00 175.35 175.65 1bqq n ILE 1130N 2.82 0.00 -3.09 2.17 -6.64 -1.26 -1.60 119.36 111.76 1bqq n ILE 1130Ca -0.10 -0.46 0.02 0.00 -1.77 0.00 0.00 62.75 60.44 1bqq n ILE 1130Cb 0.52 -1.25 -0.00 0.00 -1.44 0.00 0.00 39.64 37.47 1bqq n ILE 1130CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1bqq s THR 1131N -0.76 -0.75 -0.05 7.28 2.01 0.14 -4.55 115.64 118.96 1bqq s THR 1131Ca 0.20 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1bqq s THR 1131Cb -0.01 -0.13 -0.09 0.00 0.01 0.00 0.00 72.50 72.28 1bqq s THR 1131CO 0.13 0.00 2.02 -2.11 -0.69 0.00 0.00 174.62 173.97 1bqq n ARG 1132N 4.39 2.54 -1.96 4.92 -4.01 -1.26 0.26 116.66 121.53 1bqq n ARG 1132Ca 0.09 0.89 -0.43 0.00 -1.04 0.00 0.00 57.85 57.36 1bqq n ARG 1132Cb 0.58 -3.00 -0.03 0.00 -3.04 0.00 0.00 32.46 26.98 1bqq n ARG 1132CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1bqq h PRO 1134N 11.64 0.93 -0.54 0.00 0.13 -1.90 -3.41 132.00 138.84 1bqq h PRO 1134Ca -0.37 -0.06 0.23 0.00 -0.87 0.00 0.00 66.00 64.94 1bqq h PRO 1134Cb 1.18 -0.21 -0.29 0.00 0.13 0.00 0.00 31.00 31.81 1bqq h PRO 1134CO 0.99 0.61 0.60 1.41 -0.23 0.00 0.00 178.00 181.38 1bqq s MET 1135N -5.85 0.06 0.86 0.86 1.75 -1.26 -4.99 119.30 110.73 1bqq s MET 1135Ca -0.11 0.13 -0.11 0.00 -1.25 0.00 0.00 55.69 54.35 1bqq s MET 1135Cb 0.20 0.05 0.12 0.00 2.84 0.00 0.00 34.83 38.04 1bqq s MET 1135CO 0.79 -0.02 1.14 0.96 -0.65 0.00 0.00 175.02 177.25 1bqq s ILE 1136N 1.68 2.37 0.00 10.11 -4.36 -1.26 -4.00 121.20 125.74 1bqq s ILE 1136Ca -0.03 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1bqq s ILE 1136Cb -0.02 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1bqq s ILE 1136CO -0.14 -0.15 0.81 -0.81 0.24 0.00 0.00 174.94 174.89 1bqq n PRO 1137N -3.93 0.00 -1.41 0.37 -0.04 -1.26 -5.05 135.00 123.67 1bqq n PRO 1137Ca 0.11 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1bqq n PRO 1137Cb 0.52 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1bqq n PRO 1137CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bqq n TYR 1139N -1.41 0.31 -3.69 0.00 4.01 -1.26 -4.73 117.16 110.38 1bqq n TYR 1139Ca 0.00 -1.26 -0.39 0.00 -0.16 0.00 0.00 57.90 56.10 1bqq n TYR 1139Cb 0.14 -0.74 -0.12 0.00 -0.31 0.00 0.00 39.34 38.32 1bqq n TYR 1139CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1bqq s ILE 1140N -0.33 4.16 0.98 -0.72 -4.36 -1.26 -5.10 121.20 114.58 1bqq s ILE 1140Ca 0.15 -0.90 -0.11 0.00 -0.26 0.00 0.00 60.65 59.53 1bqq s ILE 1140Cb 0.09 -3.29 0.18 0.00 1.25 0.00 0.00 42.46 40.70 1bqq s ILE 1140CO -0.01 -0.13 1.10 -0.44 0.24 0.00 0.00 174.94 175.70 1bqq s SER 1141N 1.49 2.43 -0.22 4.36 0.01 -1.26 -5.02 113.70 115.48 1bqq s SER 1141Ca 0.01 1.91 -0.03 0.00 1.31 0.00 0.00 55.95 59.14 1bqq s SER 1141Cb -0.19 -2.45 0.11 0.00 0.21 0.00 0.00 66.02 63.70 1bqq s SER 1141CO 0.04 -3.36 0.28 -0.44 0.41 0.00 0.00 173.24 170.17 1bqq s SER 1142N -2.72 0.96 -1.05 2.44 0.01 -1.26 -5.10 113.70 106.97 1bqq s SER 1142Ca 0.67 -0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.62 1bqq s SER 1142Cb -0.23 0.66 -0.13 0.00 0.21 0.00 0.00 66.02 66.54 1bqq s SER 1142CO 0.60 -0.32 1.93 -2.65 0.41 0.00 0.00 173.24 173.21 1bqq n PRO 1143N 5.34 1.39 0.00 12.44 -0.02 -1.26 -0.09 135.00 152.80 1bqq n PRO 1143Ca -0.05 -2.23 0.00 0.00 -2.02 0.00 0.00 63.50 59.20 1bqq n PRO 1143Cb 0.50 -3.55 0.00 0.00 -0.02 0.00 0.00 33.50 30.43 1bqq n PRO 1143CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bqq n ASP 1144N 13.36 0.00 -4.54 2.55 -0.08 -1.26 -4.88 116.55 121.69 1bqq n ASP 1144Ca 0.46 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.49 1bqq n ASP 1144Cb 0.45 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.82 1bqq n ASP 1144CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1bqq s GLU 1145N 0.00 1.94 -0.07 -0.67 2.02 0.88 -2.61 118.70 120.20 1bqq s GLU 1145Ca 0.00 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.48 1bqq s GLU 1145Cb 0.00 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.26 1bqq s GLU 1145CO 0.00 0.37 -0.16 0.00 0.02 0.00 0.00 175.26 175.49 1bqq s LEU 1147N 0.44 4.23 -0.44 0.00 1.43 -1.26 0.25 118.68 123.33 1bqq s LEU 1147Ca -0.13 1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 1bqq s LEU 1147Cb -0.15 -3.26 0.04 0.00 0.03 0.00 0.00 46.19 42.85 1bqq s LEU 1147CO 0.05 -0.32 0.41 0.86 0.23 0.00 0.00 176.35 177.57 1bqq s TRP 1148N 1.70 3.20 -1.93 0.29 -0.00 0.14 -4.86 118.94 117.49 1bqq s TRP 1148Ca 0.40 -0.60 0.22 0.00 -0.00 0.00 0.00 56.10 56.13 1bqq s TRP 1148Cb -0.17 -2.94 0.62 0.00 -0.00 0.00 0.00 33.47 30.97 1bqq s TRP 1148CO 0.16 -0.73 1.51 -1.33 -0.00 0.00 0.00 176.95 176.57 1bqq n MET 1149N 5.43 2.73 0.04 5.86 2.81 -1.26 -1.17 117.12 131.55 1bqq n MET 1149Ca -0.10 -2.61 -0.13 0.00 -1.81 0.00 0.00 57.70 53.06 1bqq n MET 1149Cb 0.46 -1.55 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 1bqq n MET 1149CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1bqq h ASP 1150N 4.16 -0.07 -0.34 7.83 3.32 -1.93 -0.35 116.42 129.05 1bqq h ASP 1150Ca 0.00 -0.28 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 1bqq h ASP 1150Cb 0.97 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1bqq h ASP 1150CO 0.00 0.25 -0.26 -0.25 -1.72 0.00 0.00 179.24 177.26 1bqq h TRP 1151N -0.39 0.91 0.56 4.55 -0.00 -1.77 -0.27 115.95 119.55 1bqq h TRP 1151Ca -0.01 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.89 58.60 1bqq h TRP 1151Cb 0.35 -0.20 0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1bqq h TRP 1151CO 0.03 1.01 -0.27 0.28 -0.00 0.00 0.00 178.44 179.49 1bqq h VAL 1152N 0.55 0.36 0.00 2.65 2.07 -1.79 -2.56 116.25 117.53 1bqq h VAL 1152Ca 0.06 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1bqq h VAL 1152Cb 0.82 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1bqq h VAL 1152CO 0.07 0.04 -0.14 0.74 0.02 0.00 0.00 177.57 178.30 1bqq h THR 1153N -0.96 0.00 -0.01 2.57 2.02 -1.21 -3.40 112.91 111.92 1bqq h THR 1153Ca -0.08 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1bqq h THR 1153Cb 0.64 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1bqq h THR 1153CO 0.13 0.00 -0.20 -1.84 0.37 0.00 0.00 175.52 173.98 1bqq n GLU 1154N -3.93 0.79 -0.54 6.66 0.00 -1.15 -4.95 120.64 117.52 1bqq n GLU 1154Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 57.16 56.74 1bqq n GLU 1154Cb 0.07 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1bqq n GLU 1154CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bqq n LYS 1155N -0.76 0.00 -3.48 3.44 4.76 -0.16 -4.96 118.16 117.00 1bqq n LYS 1155Ca 0.13 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.19 1bqq n LYS 1155Cb 0.32 -3.72 -0.06 0.00 -1.84 0.00 0.00 35.03 29.73 1bqq n LYS 1155CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1bqq s ASN 1156N -2.39 6.73 0.00 4.39 2.20 -0.87 -4.73 114.94 120.27 1bqq s ASN 1156Ca 0.00 0.87 0.20 0.00 -0.94 0.00 0.00 52.86 52.99 1bqq s ASN 1156Cb 0.00 -2.25 1.01 0.00 -2.00 0.00 0.00 41.25 38.01 1bqq s ASN 1156CO 0.00 0.23 1.64 2.30 -2.94 0.00 0.00 177.10 178.34 1bqq n ILE 1157N 2.41 0.41 -3.20 0.54 -5.35 -1.26 -2.63 119.36 110.27 1bqq n ILE 1157Ca -0.12 0.10 -0.26 0.00 -0.27 0.00 0.00 62.75 62.20 1bqq n ILE 1157Cb 0.52 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 37.60 1bqq n ILE 1157CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1bqq n ASN 1158N -1.31 3.34 -1.70 7.28 2.85 -1.26 -4.80 115.26 119.65 1bqq n ASN 1158Ca 0.09 -3.41 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1bqq n ASN 1158Cb 0.17 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.57 1bqq n ASN 1158CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bqq n GLY 1159N 0.47 0.52 0.28 8.20 0.00 -1.25 -4.76 105.19 108.66 1bqq n GLY 1159Ca 0.29 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.57 1bqq n GLY 1159CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1bqq h HIS 1160N -0.21 0.00 -0.01 1.61 2.76 -1.95 -1.97 115.15 115.38 1bqq h HIS 1160Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1bqq h HIS 1160Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1bqq h HIS 1160CO 0.00 0.05 -0.40 0.94 -1.30 0.00 0.00 177.93 177.22 1bqq n GLN 1161N -3.95 0.62 -0.09 5.26 7.27 -1.26 -2.89 117.38 122.34 1bqq n GLN 1161Ca -0.03 -0.40 -0.11 0.00 0.07 0.00 0.00 57.00 56.53 1bqq n GLN 1161Cb 0.14 -1.49 -0.11 0.00 2.41 0.00 0.00 30.24 31.19 1bqq n GLN 1161CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bqq n ALA 1162N -0.84 1.57 0.05 1.69 0.00 -0.78 -3.78 120.51 118.43 1bqq n ALA 1162Ca 0.10 -0.99 -0.17 0.00 0.00 0.00 0.00 53.44 52.38 1bqq n ALA 1162Cb 0.36 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 1bqq n ALA 1162CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bqq h LYS 1163N 0.00 0.23 0.00 0.00 1.57 -1.61 -3.41 116.57 113.35 1bqq h LYS 1163Ca -0.45 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1bqq h LYS 1163Cb 1.87 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1bqq h LYS 1163CO -0.02 1.07 -0.63 1.19 -0.57 0.00 0.00 179.45 180.49 1bqq n PHE 1164N -3.42 0.00 -4.42 -1.35 3.72 -1.14 -3.78 117.46 107.07 1bqq n PHE 1164Ca -0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 1bqq n PHE 1164Cb 1.05 -0.05 -0.11 0.00 -0.94 0.00 0.00 39.48 39.43 1bqq n PHE 1164CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1bqq s PHE 1165N -1.97 2.66 -0.02 1.38 0.08 -1.25 -4.55 117.98 114.32 1bqq s PHE 1165Ca 0.02 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1bqq s PHE 1165Cb 0.06 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1bqq s PHE 1165CO 0.34 0.35 -0.15 0.00 -0.10 0.00 0.00 175.22 175.66 1bqq s ALA 1166N -1.07 1.31 -1.03 5.36 0.00 -0.25 -4.70 121.76 121.38 1bqq s ALA 1166Ca 0.18 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1bqq s ALA 1166Cb -0.11 -0.37 0.25 0.00 0.00 0.00 0.00 23.12 22.89 1bqq s ALA 1166CO 0.09 0.30 1.03 0.00 0.00 0.00 0.00 175.76 177.18 1bqq s ILE 1168N -0.45 3.00 0.94 0.00 -0.00 -1.11 -4.40 121.20 119.19 1bqq s ILE 1168Ca 0.28 -1.58 -0.16 0.00 -0.00 0.00 0.00 60.65 59.19 1bqq s ILE 1168Cb -0.09 -2.43 0.24 0.00 -0.00 0.00 0.00 42.46 40.18 1bqq s ILE 1168CO -0.08 0.00 0.74 0.29 -0.00 0.00 0.00 174.94 175.90 1bqq n LYS 1169N 0.44 -3.03 -2.29 0.37 5.02 -1.25 -2.78 118.16 114.64 1bqq n LYS 1169Ca -0.13 -1.20 -0.04 0.00 -2.02 0.00 0.00 58.31 54.91 1bqq n LYS 1169Cb 0.54 -1.24 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 1bqq n LYS 1169CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bqq n ARG 1170N -4.18 0.45 -0.11 1.97 0.63 -0.26 -4.85 116.66 110.31 1bqq n ARG 1170Ca 0.11 -1.02 -0.20 0.00 -0.92 0.00 0.00 57.85 55.81 1bqq n ARG 1170Cb 0.43 1.20 -0.09 0.00 0.45 0.00 0.00 32.46 34.45 1bqq n ARG 1170CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1bqq n SER 1171N -1.38 1.88 0.00 6.15 3.41 -1.26 -4.62 113.62 117.80 1bqq n SER 1171Ca -0.03 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1bqq n SER 1171Cb 0.26 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1bqq n SER 1171CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bqq n ASP 1172N -4.42 0.00 -4.04 4.04 8.00 -1.26 -4.46 116.55 114.42 1bqq n ASP 1172Ca -0.33 0.74 -0.32 0.00 0.71 0.00 0.00 54.79 55.59 1bqq n ASP 1172Cb 0.66 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.38 1bqq n ASP 1172CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1bqq s GLY 1173N -0.47 1.90 0.00 0.44 0.00 -1.26 -5.08 107.32 102.85 1bqq s GLY 1173Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 44.72 42.30 1bqq s GLY 1173CO 0.00 0.90 0.00 1.44 0.00 0.00 0.00 173.10 175.44 1bqq n SER 1174N 4.31 0.00 -4.87 1.64 7.64 -1.26 -4.56 113.62 116.51 1bqq n SER 1174Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1bqq n SER 1174Cb 0.42 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1bqq n SER 1174CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bqq s ALA 1176N -1.23 -0.35 -0.82 0.00 0.00 -1.12 -4.55 121.76 113.69 1bqq s ALA 1176Ca 0.25 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 1bqq s ALA 1176Cb -0.14 1.02 0.08 0.00 0.00 0.00 0.00 23.12 24.08 1bqq s ALA 1176CO 0.14 -0.89 1.16 -1.58 0.00 0.00 0.00 175.76 174.59 1bqq s TRP 1177N -3.85 2.71 0.47 0.00 0.52 -1.26 -2.75 118.94 114.78 1bqq s TRP 1177Ca 0.21 -0.77 -0.06 0.00 0.02 0.00 0.00 56.10 55.51 1bqq s TRP 1177Cb -0.02 -4.42 -0.04 0.00 -1.15 0.00 0.00 33.47 27.84 1bqq s TRP 1177CO 0.10 -1.73 0.77 0.71 0.02 0.00 0.00 176.95 176.82 1bqq s TYR 1178N 4.12 3.55 0.03 -1.98 1.51 0.87 -4.85 117.35 120.60 1bqq s TYR 1178Ca 0.32 0.82 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1bqq s TYR 1178Cb -0.09 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1bqq s TYR 1178CO 0.01 -0.24 0.00 -2.13 -1.11 0.00 0.00 175.55 172.08 1bqq n ARG 1179N -2.12 0.00 0.00 -0.62 0.63 -1.26 -1.09 116.66 112.19 1bqq n ARG 1179Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1bqq n ARG 1179Cb 0.55 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1bqq n ARG 1179CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bqq n GLY 1180N 2.21 1.13 7.00 5.14 0.00 -1.26 -4.91 105.19 114.50 1bqq n GLY 1180Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bqq n GLY 1180CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqq n ALA 1181N 0.00 0.00 -3.46 4.61 0.00 -1.26 -4.62 120.51 115.78 1bqq n ALA 1181Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1bqq n ALA 1181Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1bqq n ALA 1181CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqq s ALA 1182N -1.28 4.28 0.62 0.00 0.00 -1.26 -4.96 121.76 119.16 1bqq s ALA 1182Ca 0.00 -3.62 -0.18 0.00 0.00 0.00 0.00 51.96 48.17 1bqq s ALA 1182Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1bqq s ALA 1182CO 0.00 -2.20 1.19 -2.14 0.00 0.00 0.00 175.76 172.61 1bqq s PRO 1183N -0.72 2.82 0.00 0.00 0.02 -1.26 -5.17 135.00 130.69 1bqq s PRO 1183Ca 0.24 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.00 1bqq s PRO 1183Cb -0.11 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1bqq s PRO 1183CO -0.09 -1.31 0.00 -2.30 -0.33 0.00 0.00 177.00 172.98