#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg8 h LEU 945 N 0.00 0.00 -7.34 -0.35 3.38 -1.65 -3.45 115.31 105.89 3kg8 h LEU 945 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kg8 h LEU 945 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 3kg8 h LEU 945 CO 0.00 0.41 -0.16 -2.28 0.09 0.00 0.00 178.44 176.50 3kg8 s HIS 946 N -3.73 -0.36 0.33 1.13 5.04 -1.21 -5.01 115.29 111.48 3kg8 s HIS 946 Ca -0.01 0.70 0.21 0.00 -1.54 0.00 0.00 55.06 54.42 3kg8 s HIS 946 Cb 0.12 0.18 1.12 0.00 0.04 0.00 0.00 32.58 34.04 3kg8 s HIS 946 CO 0.70 -0.39 1.58 -1.35 -2.34 0.00 0.00 174.74 172.94 3kg8 h PRO 947 N 4.14 0.00 -0.00 2.88 0.11 -1.88 -1.51 132.00 135.74 3kg8 h PRO 947 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kg8 h PRO 947 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kg8 h PRO 947 CO 0.35 0.00 -0.68 1.28 -0.21 0.00 0.00 178.00 178.73 3kg8 n LEU 948 N -2.45 0.93 -3.83 2.35 4.77 -1.26 -4.97 117.00 112.54 3kg8 n LEU 948 Ca -0.01 -0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 55.19 3kg8 n LEU 948 Cb 0.36 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.28 3kg8 n LEU 948 CO 0.09 0.21 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.34 3kg8 s ILE 949 N -2.42 0.52 -0.10 -0.08 1.01 -0.57 -4.65 121.20 114.91 3kg8 s ILE 949 Ca 0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.49 3kg8 s ILE 949 Cb 0.12 -0.61 -0.19 0.00 0.01 0.00 0.00 42.46 41.79 3kg8 s ILE 949 CO 0.62 0.26 0.71 0.78 0.00 0.00 0.00 174.94 177.31 3kg8 h ASN 950 N 7.93 -0.04 -4.42 3.58 4.21 -1.30 -2.81 115.58 122.74 3kg8 h ASN 950 Ca -0.27 -0.66 -0.43 0.00 1.21 0.00 0.00 56.30 56.16 3kg8 h ASN 950 Cb 1.13 0.01 -0.22 0.00 -1.12 0.00 0.00 38.32 38.12 3kg8 h ASN 950 CO 0.35 0.74 -0.79 0.00 -1.29 0.00 0.00 177.43 176.45 3kg8 s GLN 951 N -2.54 0.87 -0.08 0.81 -2.07 -0.49 -4.12 119.66 112.03 3kg8 s GLN 951 Ca -0.14 -0.92 0.00 0.00 -1.82 0.00 0.00 55.36 52.48 3kg8 s GLN 951 Cb -0.01 -0.90 -0.03 0.00 -1.09 0.00 0.00 33.01 30.98 3kg8 s GLN 951 CO 0.53 0.20 -0.07 0.21 -1.32 0.00 0.00 175.29 174.85 3kg8 s LYS 952 N -1.61 2.90 -0.05 9.60 2.20 -1.26 -0.07 119.74 131.45 3kg8 s LYS 952 Ca -0.01 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 3kg8 s LYS 952 Cb -0.10 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 3kg8 s LYS 952 CO 0.02 0.58 -0.04 0.12 -0.36 0.00 0.00 175.35 175.67 3kg8 s PHE 953 N -0.59 0.80 0.05 4.03 5.36 0.91 -4.99 117.98 123.56 3kg8 s PHE 953 Ca 0.09 -0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3kg8 s PHE 953 Cb -0.12 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.82 3kg8 s PHE 953 CO 0.02 -0.22 0.02 1.14 -1.46 0.00 0.00 175.22 174.72 3kg8 s GLN 954 N 1.05 0.59 -0.00 10.12 -2.07 -1.26 -1.29 119.66 126.80 3kg8 s GLN 954 Ca -0.09 -1.02 -0.07 0.00 -1.82 0.00 0.00 55.36 52.36 3kg8 s GLN 954 Cb -0.14 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 3kg8 s GLN 954 CO -0.01 -0.13 0.13 0.45 -1.32 0.00 0.00 175.29 174.42 3kg8 s SER 955 N -2.57 0.01 0.00 12.60 0.15 -1.26 -5.00 113.70 117.63 3kg8 s SER 955 Ca 0.01 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.52 3kg8 s SER 955 Cb 0.04 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 3kg8 s SER 955 CO -0.08 -0.33 0.61 -0.81 1.20 0.00 0.00 173.24 173.84 3kg8 n PRO 956 N 1.66 0.58 0.00 5.44 -0.04 -1.26 -2.96 135.00 138.42 3kg8 n PRO 956 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 3kg8 n PRO 956 Cb 0.56 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 3kg8 n PRO 956 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kg8 n LEU 957 N -0.52 1.90 -4.11 1.53 4.32 -1.26 -4.98 117.00 113.88 3kg8 n LEU 957 Ca 0.01 -1.90 -0.14 0.00 -0.02 0.00 0.00 56.01 53.96 3kg8 n LEU 957 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 3kg8 n LEU 957 CO 0.00 0.47 -0.42 -0.94 -1.22 0.00 0.00 177.39 175.29 3kg8 s SER 958 N -0.93 1.17 0.12 -1.43 1.04 -1.15 -5.05 113.70 107.47 3kg8 s SER 958 Ca 0.00 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 3kg8 s SER 958 Cb 0.00 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 66.02 3kg8 s SER 958 CO 0.00 -0.19 1.30 0.50 0.98 0.00 0.00 173.24 175.82 3kg8 h LYS 959 N 4.23 0.53 -7.03 4.02 3.64 -1.94 -3.42 116.57 116.60 3kg8 h LYS 959 Ca -0.37 -0.53 -0.46 0.00 -1.27 0.00 0.00 60.65 58.01 3kg8 h LYS 959 Cb 1.20 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3kg8 h LYS 959 CO 0.44 1.16 0.38 -1.21 -2.27 0.00 0.00 179.45 177.94 3kg8 s GLU 960 N -3.40 4.05 -0.11 1.90 8.01 -1.26 -4.54 118.70 123.35 3kg8 s GLU 960 Ca -0.07 1.32 -0.01 0.00 0.01 0.00 0.00 54.97 56.22 3kg8 s GLU 960 Cb 0.09 -2.26 -0.03 0.00 -4.31 0.00 0.00 34.13 27.61 3kg8 s GLU 960 CO 0.88 -0.21 -0.05 0.42 0.01 0.00 0.00 175.26 176.31 3kg8 s ILE 961 N -1.94 3.80 0.04 -1.63 1.01 -0.07 -4.67 121.20 117.74 3kg8 s ILE 961 Ca 0.63 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.94 3kg8 s ILE 961 Cb -0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3kg8 s ILE 961 CO 0.20 0.55 -0.24 -0.36 0.00 0.00 0.00 174.94 175.08 3kg8 s PHE 962 N -0.24 2.15 0.06 3.97 0.08 -0.41 -0.51 117.98 123.08 3kg8 s PHE 962 Ca 0.04 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.76 3kg8 s PHE 962 Cb -0.13 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 3kg8 s PHE 962 CO 0.02 0.10 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.98 3kg8 s PHE 963 N -0.78 1.75 -0.05 0.36 0.08 -0.11 -0.06 117.98 119.17 3kg8 s PHE 963 Ca 0.10 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3kg8 s PHE 963 Cb -0.10 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 3kg8 s PHE 963 CO 0.02 0.12 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.22 3kg8 s GLU 964 N -1.40 0.76 0.09 0.44 2.12 0.90 -1.83 118.70 119.77 3kg8 s GLU 964 Ca 0.07 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.39 3kg8 s GLU 964 Cb -0.09 -0.83 -0.03 0.00 0.26 0.00 0.00 34.13 33.43 3kg8 s GLU 964 CO 0.02 -0.12 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.35 3kg8 s SER 965 N 1.09 1.88 -0.51 -1.70 0.01 0.58 -0.97 113.70 114.08 3kg8 s SER 965 Ca -0.08 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 3kg8 s SER 965 Cb -0.14 -0.07 0.13 0.00 0.21 0.00 0.00 66.02 66.16 3kg8 s SER 965 CO -0.01 -0.07 0.34 -0.31 0.41 0.00 0.00 173.24 173.60 3kg8 s TYR 966 N -1.46 3.50 -0.21 2.43 2.02 -1.26 -0.29 117.35 122.07 3kg8 s TYR 966 Ca 0.02 -2.35 -0.29 0.00 -0.37 0.00 0.00 57.07 54.07 3kg8 s TYR 966 Cb -0.09 -3.32 -0.00 0.00 -0.40 0.00 0.00 41.96 38.15 3kg8 s TYR 966 CO 0.03 -0.94 1.18 -0.06 -1.57 0.00 0.00 175.55 174.18 3kg8 s PHE 967 N 0.78 3.02 -0.15 2.71 0.40 -0.20 -4.81 117.98 119.73 3kg8 s PHE 967 Ca 0.11 1.17 -0.28 0.00 -0.60 0.00 0.00 56.93 57.32 3kg8 s PHE 967 Cb -0.22 -3.47 0.07 0.00 0.51 0.00 0.00 43.02 39.91 3kg8 s PHE 967 CO -0.03 -1.22 0.72 0.45 0.70 0.00 0.00 175.22 175.83 3kg8 s SER 968 N 1.75 -0.69 0.34 1.36 0.15 -1.26 -2.40 113.70 112.95 3kg8 s SER 968 Ca 0.50 1.03 0.05 0.00 0.70 0.00 0.00 55.95 58.23 3kg8 s SER 968 Cb -0.18 0.95 0.60 0.00 -1.71 0.00 0.00 66.02 65.67 3kg8 s SER 968 CO 0.12 -0.43 1.86 0.71 1.20 0.00 0.00 173.24 176.70 3kg8 h THR 969 N 3.44 1.20 -0.30 6.45 1.35 -1.83 0.48 112.91 123.70 3kg8 h THR 969 Ca -0.28 -0.84 0.02 0.00 -0.55 0.00 0.00 66.41 64.77 3kg8 h THR 969 Cb 1.15 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 3kg8 h THR 969 CO 0.23 0.28 0.14 -0.08 -0.25 0.00 0.00 175.52 175.84 3kg8 h GLU 970 N 0.46 0.28 0.11 4.72 4.81 -1.94 -2.27 114.58 120.77 3kg8 h GLU 970 Ca 0.10 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 3kg8 h GLU 970 Cb 0.37 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3kg8 h GLU 970 CO 0.02 0.19 -1.20 -0.91 -0.73 0.00 0.00 179.01 176.37 3kg8 h ASN 971 N 0.29 0.54 -2.92 1.04 2.35 -1.80 -3.40 115.58 111.68 3kg8 h ASN 971 Ca 0.13 -0.53 -0.61 0.00 -0.55 0.00 0.00 56.30 54.74 3kg8 h ASN 971 Cb 0.06 -0.17 -0.40 0.00 0.05 0.00 0.00 38.32 37.85 3kg8 h ASN 971 CO -0.10 1.39 -0.73 -0.76 -1.65 0.00 0.00 177.43 175.57 3kg8 s LEU 972 N -7.40 3.37 0.33 1.61 1.43 0.16 -4.98 118.68 113.20 3kg8 s LEU 972 Ca -0.05 -3.42 0.11 0.00 -1.03 0.00 0.00 54.13 49.74 3kg8 s LEU 972 Cb 0.07 -1.15 0.96 0.00 0.03 0.00 0.00 46.19 46.10 3kg8 s LEU 972 CO 0.89 -0.14 1.69 -0.65 0.23 0.00 0.00 176.35 178.37 3kg8 h PRO 973 N 5.67 0.42 -0.01 1.29 0.11 -1.62 -2.13 132.00 135.72 3kg8 h PRO 973 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kg8 h PRO 973 Cb 0.83 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kg8 h PRO 973 CO 0.57 0.28 0.01 0.27 -0.21 0.00 0.00 178.00 178.92 3kg8 h PHE 974 N 0.43 0.00 0.00 0.65 -0.00 -1.94 -2.32 116.94 113.77 3kg8 h PHE 974 Ca 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.65 3kg8 h PHE 974 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.37 3kg8 h PHE 974 CO -0.03 0.00 0.00 -0.07 -0.00 0.00 0.00 178.31 178.21 3kg8 h LEU 975 N 0.00 0.00 -0.86 2.10 3.38 -1.73 -1.21 115.31 117.00 3kg8 h LEU 975 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kg8 h LEU 975 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kg8 h LEU 975 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3kg8 h ALA 976 N 2.04 1.00 -0.41 1.53 0.00 -1.63 -3.04 119.26 118.76 3kg8 h ALA 976 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kg8 h ALA 976 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kg8 h ALA 976 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3kg8 n ASP 977 N -2.31 2.71 -3.69 0.00 8.00 -0.45 -4.55 116.55 116.26 3kg8 n ASP 977 Ca 0.02 -1.93 -0.28 0.00 0.71 0.00 0.00 54.79 53.30 3kg8 n ASP 977 Cb 0.21 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 3kg8 n ASP 977 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3kg8 s HIS 978 N -1.46 2.27 -0.05 1.24 2.46 -1.15 -0.49 115.29 118.11 3kg8 s HIS 978 Ca 0.36 -2.70 0.04 0.00 0.47 0.00 0.00 55.06 53.22 3kg8 s HIS 978 Cb 0.19 -1.90 -0.02 0.00 -0.13 0.00 0.00 32.58 30.72 3kg8 s HIS 978 CO 0.27 -0.72 -0.16 0.96 -2.47 0.00 0.00 174.74 172.62 3kg8 s ILE 979 N -0.32 2.91 -0.20 0.89 -4.36 -0.84 -2.08 121.20 117.20 3kg8 s ILE 979 Ca 0.24 -0.78 -0.01 0.00 -0.26 0.00 0.00 60.65 59.84 3kg8 s ILE 979 Cb -0.10 -2.12 0.05 0.00 1.25 0.00 0.00 42.46 41.54 3kg8 s ILE 979 CO -0.11 0.59 -0.03 -0.69 0.24 0.00 0.00 174.94 174.94 3kg8 s VAL 980 N -0.70 1.10 -1.20 8.37 1.01 -0.24 -0.81 120.40 127.92 3kg8 s VAL 980 Ca 0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3kg8 s VAL 980 Cb -0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kg8 s VAL 980 CO 0.00 -0.05 0.82 -1.22 0.00 0.00 0.00 175.10 174.66 3kg8 n TYR 981 N 4.85 -2.09 0.00 5.22 4.01 -1.22 -2.82 117.16 125.11 3kg8 n TYR 981 Ca -0.11 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 3kg8 n TYR 981 Cb 0.46 -4.30 0.00 0.00 -0.31 0.00 0.00 39.34 35.19 3kg8 n TYR 981 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3kg8 n GLU 982 N -3.99 0.00 -4.27 -0.72 4.07 -1.26 -4.98 120.64 109.50 3kg8 n GLU 982 Ca -0.21 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.57 3kg8 n GLU 982 Cb 0.65 -2.16 -0.09 0.00 -0.06 0.00 0.00 31.44 29.78 3kg8 n GLU 982 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3kg8 s GLN 983 N 0.00 2.67 -0.17 5.31 -0.21 -1.13 -5.04 119.66 121.09 3kg8 s GLN 983 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 3kg8 s GLN 983 Cb 0.00 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 3kg8 s GLN 983 CO 0.00 0.59 1.51 0.08 -2.12 0.00 0.00 175.29 175.36 3kg8 s VAL 984 N -1.14 3.85 -0.13 1.09 1.01 -1.26 -1.08 120.40 122.74 3kg8 s VAL 984 Ca 0.21 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.21 3kg8 s VAL 984 Cb -0.11 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3kg8 s VAL 984 CO 0.12 -0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.11 3kg8 s VAL 985 N 4.41 1.98 -0.15 2.92 1.01 -0.88 -2.02 120.40 127.66 3kg8 s VAL 985 Ca 0.66 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 3kg8 s VAL 985 Cb -0.26 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3kg8 s VAL 985 CO 0.25 0.53 0.89 -0.69 0.00 0.00 0.00 175.10 176.09 3kg8 s VAL 986 N 0.82 4.85 0.58 2.92 1.01 -0.36 -4.70 120.40 125.52 3kg8 s VAL 986 Ca -0.07 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 3kg8 s VAL 986 Cb -0.16 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3kg8 s VAL 986 CO -0.02 0.01 1.03 -2.16 0.00 0.00 0.00 175.10 173.97 3kg8 s PRO 987 N 2.14 3.51 0.37 2.72 0.04 -1.26 -4.32 135.00 138.20 3kg8 s PRO 987 Ca 0.41 1.07 0.11 0.00 0.04 0.00 0.00 61.00 62.63 3kg8 s PRO 987 Cb -0.17 -2.07 0.88 0.00 0.04 0.00 0.00 34.50 33.18 3kg8 s PRO 987 CO 0.14 -0.64 1.87 0.78 0.04 0.00 0.00 177.00 179.18 3kg8 h GLY 988 N 0.44 1.13 -0.52 0.56 0.00 -1.95 -0.62 103.07 102.11 3kg8 h GLY 988 Ca -0.46 -0.27 0.21 0.00 0.00 0.00 0.00 47.33 46.80 3kg8 h GLY 988 CO 0.59 0.07 0.07 0.00 0.00 0.00 0.00 176.54 177.27 3kg8 h ALA 989 N 1.61 1.00 -0.14 3.60 0.00 -1.92 0.20 119.26 123.61 3kg8 h ALA 989 Ca 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 3kg8 h ALA 989 Cb 0.80 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kg8 h ALA 989 CO -0.20 -0.46 0.04 1.03 0.00 0.00 0.00 179.25 179.66 3kg8 h SER 990 N 0.11 0.17 -0.58 0.00 0.87 -1.34 -1.70 113.55 111.08 3kg8 h SER 990 Ca 0.49 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.94 3kg8 h SER 990 Cb 0.94 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 3kg8 h SER 990 CO -0.72 0.17 -0.01 0.45 -0.53 0.00 0.00 176.83 176.19 3kg8 h HIS 991 N 0.19 1.14 -0.36 2.24 3.86 -0.64 -1.51 115.15 120.07 3kg8 h HIS 991 Ca 0.05 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3kg8 h HIS 991 Cb 0.06 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3kg8 h HIS 991 CO 0.00 1.01 0.04 0.82 0.86 0.00 0.00 177.93 180.66 3kg8 h ILE 992 N 0.96 1.25 -0.84 2.45 2.04 -1.00 -0.80 117.51 121.57 3kg8 h ILE 992 Ca 0.17 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.20 3kg8 h ILE 992 Cb 0.56 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3kg8 h ILE 992 CO 0.03 0.30 0.52 -1.28 0.00 0.00 0.00 178.15 177.72 3kg8 h SER 993 N 0.43 0.80 -0.85 1.72 0.87 -1.34 0.14 113.55 115.34 3kg8 h SER 993 Ca 0.11 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3kg8 h SER 993 Cb 0.40 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 3kg8 h SER 993 CO 0.01 0.51 0.41 0.25 -0.53 0.00 0.00 176.83 177.48 3kg8 h LEU 994 N 0.94 1.11 -0.56 2.23 5.85 -0.77 -1.53 115.31 122.57 3kg8 h LEU 994 Ca 0.37 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3kg8 h LEU 994 Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kg8 h LEU 994 CO -0.18 0.93 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.71 3kg8 h LEU 995 N 1.21 1.03 -1.12 2.25 3.38 -0.41 -0.41 115.31 121.23 3kg8 h LEU 995 Ca 0.29 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kg8 h LEU 995 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3kg8 h LEU 995 CO -0.04 1.12 0.29 -0.07 0.09 0.00 0.00 178.44 179.83 3kg8 h LEU 996 N 0.91 0.82 -0.16 1.67 3.38 -0.64 0.14 115.31 121.44 3kg8 h LEU 996 Ca 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kg8 h LEU 996 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3kg8 h LEU 996 CO 0.04 0.71 -0.03 0.00 0.09 0.00 0.00 178.44 179.25 3kg8 h ALA 997 N 1.41 0.23 -0.04 1.53 0.00 -1.08 -0.20 119.26 121.11 3kg8 h ALA 997 Ca 0.22 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kg8 h ALA 997 Cb 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3kg8 h ALA 997 CO -0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 179.25 178.84 3kg8 h ALA 998 N 0.73 -0.52 -0.46 0.00 0.00 -0.43 -2.17 119.26 116.41 3kg8 h ALA 998 Ca 0.04 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3kg8 h ALA 998 Cb 0.45 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3kg8 h ALA 998 CO 0.01 -0.87 -0.20 0.00 0.00 0.00 0.00 179.25 178.20 3kg8 h ALA 999 N 0.19 0.15 -0.33 0.00 0.00 -0.70 -0.27 119.26 118.29 3kg8 h ALA 999 Ca 0.07 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3kg8 h ALA 999 Cb 0.59 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3kg8 h ALA 999 CO -0.32 -0.54 0.35 1.03 0.00 0.00 0.00 179.25 179.77 3kg8 h SER 1000N -0.10 0.00 -0.69 0.00 0.87 -0.55 0.43 113.55 113.50 3kg8 h SER 1000Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3kg8 h SER 1000Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3kg8 h SER 1000CO -0.52 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 175.96 3kg8 n LEU 1001N -3.79 3.95 0.00 2.23 4.77 -0.14 -4.48 117.00 119.53 3kg8 n LEU 1001Ca 0.05 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 3kg8 n LEU 1001Cb 0.51 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3kg8 n LEU 1001CO 0.28 0.91 -0.31 0.35 -1.33 0.00 0.00 177.39 177.29 3kg8 n THR 1002N 1.46 0.00 -4.05 -5.08 -2.24 0.12 -5.07 114.28 99.43 3kg8 n THR 1002Ca 0.24 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.67 3kg8 n THR 1002Cb 0.65 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 3kg8 n THR 1002CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kg8 s PHE 1003N -1.61 3.42 0.33 4.78 0.08 0.26 -4.99 117.98 120.25 3kg8 s PHE 1003Ca 0.00 0.36 0.12 0.00 0.12 0.00 0.00 56.93 57.53 3kg8 s PHE 1003Cb 0.00 -1.85 0.59 0.00 -0.57 0.00 0.00 43.02 41.19 3kg8 s PHE 1003CO 0.00 0.62 1.75 0.00 -0.10 0.00 0.00 175.22 177.49 3kg8 h ALA 1004N 4.68 1.23 -2.91 5.36 0.00 -1.89 -3.44 119.26 122.30 3kg8 h ALA 1004Ca -0.52 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.43 3kg8 h ALA 1004Cb 1.21 -0.07 0.10 0.00 0.00 0.00 0.00 17.79 19.02 3kg8 h ALA 1004CO 0.59 0.58 0.76 0.00 0.00 0.00 0.00 179.25 181.19 3kg8 s ALA 1005N -3.98 3.58 -0.06 0.00 0.00 -1.26 -4.96 121.76 115.08 3kg8 s ALA 1005Ca -0.02 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 3kg8 s ALA 1005Cb 0.14 -3.59 -0.30 0.00 0.00 0.00 0.00 23.12 19.37 3kg8 s ALA 1005CO 0.74 -0.96 0.76 0.00 0.00 0.00 0.00 175.76 176.29 3kg8 h THR 1006N 3.05 1.26 -3.87 0.00 1.03 -1.91 -3.47 112.91 109.01 3kg8 h THR 1006Ca -0.50 -2.50 -0.52 0.00 -0.01 0.00 0.00 66.41 62.88 3kg8 h THR 1006Cb 1.23 2.97 0.05 0.00 -1.07 0.00 0.00 68.15 71.33 3kg8 h THR 1006CO 0.66 0.73 0.58 -1.61 -0.01 0.00 0.00 175.52 175.87 3kg8 s GLU 1007N -2.47 4.40 -0.16 0.00 8.01 -1.26 -4.86 118.70 122.36 3kg8 s GLU 1007Ca -0.16 2.07 -0.14 0.00 0.01 0.00 0.00 54.97 56.75 3kg8 s GLU 1007Cb 0.03 -3.06 0.04 0.00 -4.31 0.00 0.00 34.13 26.83 3kg8 s GLU 1007CO 0.82 -0.09 0.42 0.00 0.01 0.00 0.00 175.26 176.41 3kg8 s GLN 1009N 0.24 0.97 -0.14 0.00 0.74 -0.16 -0.96 119.66 120.35 3kg8 s GLN 1009Ca -0.00 -0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.32 3kg8 s GLN 1009Cb -0.03 -1.05 0.00 0.00 1.10 0.00 0.00 33.01 33.04 3kg8 s GLN 1009CO 0.00 -0.16 -0.19 0.42 -0.55 0.00 0.00 175.29 174.82 3kg8 s ILE 1010N 1.29 2.37 0.19 -2.34 1.01 0.10 -0.99 121.20 122.82 3kg8 s ILE 1010Ca -0.05 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.80 3kg8 s ILE 1010Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kg8 s ILE 1010CO -0.02 0.54 -0.15 -1.61 0.00 0.00 0.00 174.94 173.69 3kg8 s GLU 1011N 0.72 1.29 -1.44 2.79 2.02 -0.12 0.68 118.70 124.64 3kg8 s GLU 1011Ca -0.08 -1.52 -0.09 0.00 0.02 0.00 0.00 54.97 53.30 3kg8 s GLU 1011Cb -0.16 -1.14 0.05 0.00 0.10 0.00 0.00 34.13 32.98 3kg8 s GLU 1011CO 0.01 0.20 0.71 -0.25 0.02 0.00 0.00 175.26 175.95 3kg8 n ASP 1012N -0.15 -4.99 -4.72 -0.19 8.00 -0.80 -1.49 116.55 112.22 3kg8 n ASP 1012Ca -0.10 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 3kg8 n ASP 1012Cb 0.59 -4.03 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 3kg8 n ASP 1012CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kg8 s ILE 1013N -3.14 2.98 0.06 0.53 1.01 0.07 -4.21 121.20 118.50 3kg8 s ILE 1013Ca 0.46 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.87 3kg8 s ILE 1013Cb -0.22 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3kg8 s ILE 1013CO 0.56 0.07 -0.12 -0.22 0.00 0.00 0.00 174.94 175.23 3kg8 s LEU 1014N 0.84 2.26 -0.58 2.97 2.96 -1.01 -1.71 118.68 124.41 3kg8 s LEU 1014Ca 0.65 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3kg8 s LEU 1014Cb -0.40 -0.40 0.29 0.00 0.50 0.00 0.00 46.19 46.18 3kg8 s LEU 1014CO 0.33 -0.11 0.80 0.49 -1.32 0.00 0.00 176.35 176.54 3kg8 n PHE 1015N 1.40 3.28 -0.30 5.38 3.01 -1.19 -1.88 117.46 127.16 3kg8 n PHE 1015Ca -0.21 -4.03 -0.09 0.00 1.01 0.00 0.00 57.45 54.12 3kg8 n PHE 1015Cb 0.54 -0.51 -0.06 0.00 -0.01 0.00 0.00 39.48 39.45 3kg8 n PHE 1015CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3kg8 h PRO 1016N 3.66 -0.14 -5.71 -1.08 0.11 -1.71 -3.42 132.00 123.71 3kg8 h PRO 1016Ca 0.16 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.80 3kg8 h PRO 1016Cb 0.64 0.03 -0.20 0.00 0.11 0.00 0.00 31.00 31.58 3kg8 h PRO 1016CO 0.78 -0.09 -0.78 -0.65 -0.21 0.00 0.00 178.00 177.05 3kg8 s GLN 1017N -5.70 1.07 0.65 1.05 -0.21 -0.19 -5.03 119.66 111.30 3kg8 s GLN 1017Ca -0.13 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 3kg8 s GLN 1017Cb 0.13 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.01 3kg8 s GLN 1017CO 0.65 0.23 1.05 0.00 -2.12 0.00 0.00 175.29 175.10 3kg8 s ALA 1018N -1.74 2.83 -0.20 6.09 0.00 -1.26 -4.26 121.76 123.22 3kg8 s ALA 1018Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 3kg8 s ALA 1018Cb -0.07 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3kg8 s ALA 1018CO 0.04 -0.96 -0.04 -1.17 0.00 0.00 0.00 175.76 173.63 3kg8 s LEU 1019N -5.23 3.02 -0.12 0.00 2.96 -1.26 -4.95 118.68 113.09 3kg8 s LEU 1019Ca 0.58 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3kg8 s LEU 1019Cb -0.13 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3kg8 s LEU 1019CO 0.51 0.04 -0.19 0.00 -1.32 0.00 0.00 176.35 175.39 3kg8 s ALA 1020N 1.14 1.99 -0.43 5.97 0.00 -1.26 -1.22 121.76 127.95 3kg8 s ALA 1020Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3kg8 s ALA 1020Cb -0.15 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.13 3kg8 s ALA 1020CO -0.00 0.01 0.32 0.42 0.00 0.00 0.00 175.76 176.51 3kg8 s ILE 1021N 0.79 5.12 0.80 0.00 -1.09 -0.86 -4.97 121.20 120.99 3kg8 s ILE 1021Ca -0.09 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 3kg8 s ILE 1021Cb -0.16 -3.94 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 3kg8 s ILE 1021CO 0.00 -0.40 1.15 -0.81 -1.23 0.00 0.00 174.94 173.65 3kg8 n PRO 1022N 5.14 0.22 -1.31 2.79 -0.04 -1.26 -4.09 135.00 136.46 3kg8 n PRO 1022Ca -0.12 0.15 -0.56 0.00 -0.04 0.00 0.00 63.50 62.94 3kg8 n PRO 1022Cb 0.46 -2.39 -0.12 0.00 -0.04 0.00 0.00 33.50 31.40 3kg8 n PRO 1022CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kg8 n GLU 1023N -3.02 0.06 -1.23 0.54 -0.58 -1.26 0.18 120.64 115.33 3kg8 n GLU 1023Ca 0.13 0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 3kg8 n GLU 1023Cb 0.50 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 3kg8 n GLU 1023CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kg8 n GLN 1024N 7.75 -1.39 -1.96 3.49 6.02 -1.26 -4.99 117.38 125.04 3kg8 n GLN 1024Ca 0.56 0.72 -0.29 0.00 -0.01 0.00 0.00 57.00 57.98 3kg8 n GLN 1024Cb -0.01 -4.92 0.06 0.00 1.02 0.00 0.00 30.24 26.39 3kg8 n GLN 1024CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3kg8 s GLY 1025N -2.38 1.62 -0.08 1.08 0.00 0.48 -5.03 107.32 103.00 3kg8 s GLY 1025Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.25 3kg8 s GLY 1025CO 0.00 -0.10 -0.13 0.14 0.00 0.00 0.00 173.10 173.01 3kg8 s VAL 1026N -3.37 1.24 -0.02 1.40 1.01 -1.26 -4.65 120.40 114.75 3kg8 s VAL 1026Ca 0.59 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3kg8 s VAL 1026Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3kg8 s VAL 1026CO 0.50 0.38 -0.14 -0.13 0.00 0.00 0.00 175.10 175.71 3kg8 s ARG 1027N 0.80 2.40 -0.22 2.72 0.52 -1.01 -4.76 118.95 119.39 3kg8 s ARG 1027Ca -0.12 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.14 3kg8 s ARG 1027Cb -0.15 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 3kg8 s ARG 1027CO 0.02 0.60 0.50 0.99 0.02 0.00 0.00 175.30 177.43 3kg8 s THR 1028N -0.81 5.11 -0.18 0.02 2.01 -0.06 -1.03 115.64 120.69 3kg8 s THR 1028Ca 0.13 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 62.99 3kg8 s THR 1028Cb -0.11 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3kg8 s THR 1028CO 0.03 0.15 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 3kg8 s VAL 1029N 1.84 3.53 -0.07 3.82 1.01 0.60 -1.59 120.40 129.54 3kg8 s VAL 1029Ca 0.22 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3kg8 s VAL 1029Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3kg8 s VAL 1029CO 0.09 0.46 -0.21 -1.10 0.00 0.00 0.00 175.10 174.34 3kg8 s GLN 1030N 0.92 2.69 -0.21 2.72 -0.21 0.14 -0.31 119.66 125.41 3kg8 s GLN 1030Ca -0.01 -0.84 -0.09 0.00 0.02 0.00 0.00 55.36 54.45 3kg8 s GLN 1030Cb -0.15 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 3kg8 s GLN 1030CO 0.01 0.39 0.10 0.08 -2.12 0.00 0.00 175.29 173.75 3kg8 s VAL 1031N -0.16 5.03 -0.27 1.09 1.01 -0.76 -0.57 120.40 125.77 3kg8 s VAL 1031Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3kg8 s VAL 1031Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.99 3kg8 s VAL 1031CO 0.04 0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.79 3kg8 s VAL 1032N 0.67 2.56 -0.26 2.92 1.01 -0.23 -0.94 120.40 126.14 3kg8 s VAL 1032Ca 0.06 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 3kg8 s VAL 1032Cb -0.13 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3kg8 s VAL 1032CO 0.01 0.01 0.21 -0.76 0.00 0.00 0.00 175.10 174.57 3kg8 s LEU 1033N 1.20 4.06 -0.22 3.92 1.43 0.34 -1.76 118.68 127.65 3kg8 s LEU 1033Ca -0.06 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 3kg8 s LEU 1033Cb -0.19 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3kg8 s LEU 1033CO -0.04 -0.02 0.04 -0.89 0.23 0.00 0.00 176.35 175.67 3kg8 s THR 1034N 1.51 4.26 0.13 5.49 2.01 0.90 -0.89 115.64 129.05 3kg8 s THR 1034Ca 0.08 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 3kg8 s THR 1034Cb -0.15 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.32 3kg8 s THR 1034CO 0.08 0.39 1.49 -2.16 -0.69 0.00 0.00 174.62 173.74 3kg8 s PRO 1035N 1.17 4.26 0.52 4.92 0.04 -1.26 0.07 135.00 144.73 3kg8 s PRO 1035Ca 0.04 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.32 3kg8 s PRO 1035Cb -0.14 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.14 3kg8 s PRO 1035CO 0.03 -0.55 0.12 -0.65 0.04 0.00 0.00 177.00 175.99 3kg8 s GLN 1036N 1.34 2.22 0.12 4.56 -0.21 0.47 -4.86 119.66 123.30 3kg8 s GLN 1036Ca 0.68 -2.30 -0.31 0.00 0.02 0.00 0.00 55.36 53.45 3kg8 s GLN 1036Cb -0.40 -1.70 -0.10 0.00 1.00 0.00 0.00 33.01 31.82 3kg8 s GLN 1036CO 0.31 -0.45 1.73 -0.80 -2.12 0.00 0.00 175.29 173.96 3kg8 s ASN 1037N -4.01 6.49 0.00 5.90 -0.87 -1.26 -3.31 114.94 117.88 3kg8 s ASN 1037Ca 0.13 2.67 0.00 0.00 -1.57 0.00 0.00 52.86 54.09 3kg8 s ASN 1037Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 3kg8 s ASN 1037CO 0.08 -0.94 0.00 -3.20 -2.57 0.00 0.00 177.10 170.47 3kg8 n ASN 1038N 5.25 0.00 -3.35 -1.22 5.15 -1.26 -4.86 115.26 114.97 3kg8 n ASN 1038Ca 0.16 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 3kg8 n ASN 1038Cb 0.39 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 39.18 3kg8 n ASN 1038CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kg8 s SER 1039N -2.10 0.30 -0.16 1.20 1.04 -1.21 -4.77 113.70 108.00 3kg8 s SER 1039Ca 0.00 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 3kg8 s SER 1039Cb 0.00 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 3kg8 s SER 1039CO 0.00 -1.40 -0.13 -0.36 0.98 0.00 0.00 173.24 172.33 3kg8 s PHE 1040N -3.09 2.83 0.43 5.02 0.40 -0.31 -0.39 117.98 122.86 3kg8 s PHE 1040Ca 0.22 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.44 3kg8 s PHE 1040Cb -0.03 -1.92 -0.10 0.00 0.51 0.00 0.00 43.02 41.49 3kg8 s PHE 1040CO 0.14 -0.42 0.91 0.45 0.70 0.00 0.00 175.22 176.99 3kg8 s SER 1041N 0.83 6.80 0.05 1.36 0.15 0.11 0.27 113.70 123.28 3kg8 s SER 1041Ca -0.04 1.55 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 3kg8 s SER 1041Cb -0.15 -2.49 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3kg8 s SER 1041CO 0.00 -0.39 0.10 0.72 1.20 0.00 0.00 173.24 174.87 3kg8 s PHE 1042N -2.27 0.24 -0.01 3.44 -0.71 0.65 -0.07 117.98 119.25 3kg8 s PHE 1042Ca 0.59 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.89 3kg8 s PHE 1042Cb -0.10 -0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.55 3kg8 s PHE 1042CO 0.20 -0.42 -0.07 -0.65 -1.34 0.00 0.00 175.22 172.94 3kg8 s GLN 1043N -3.16 0.60 -0.22 1.99 -0.21 -0.72 -3.07 119.66 114.87 3kg8 s GLN 1043Ca -0.00 -0.23 -0.07 0.00 0.02 0.00 0.00 55.36 55.08 3kg8 s GLN 1043Cb 0.02 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.41 3kg8 s GLN 1043CO -0.07 0.12 0.06 0.08 -2.12 0.00 0.00 175.29 173.36 3kg8 s VAL 1044N -0.01 4.45 0.22 1.09 1.01 -0.06 -1.06 120.40 126.04 3kg8 s VAL 1044Ca 0.01 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3kg8 s VAL 1044Cb -0.04 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3kg8 s VAL 1044CO -0.00 0.39 -0.04 0.27 0.00 0.00 0.00 175.10 175.72 3kg8 s ILE 1045N 1.12 1.20 0.11 2.22 -4.36 0.27 -0.18 121.20 121.58 3kg8 s ILE 1045Ca 0.04 -2.06 -0.09 0.00 -0.26 0.00 0.00 60.65 58.28 3kg8 s ILE 1045Cb -0.14 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 3kg8 s ILE 1045CO 0.03 -0.41 0.21 -0.94 0.24 0.00 0.00 174.94 174.07 3kg8 s SER 1046N -3.30 0.10 0.14 4.36 1.04 -0.79 -0.68 113.70 114.56 3kg8 s SER 1046Ca 0.26 -0.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 3kg8 s SER 1046Cb 0.04 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.60 3kg8 s SER 1046CO 0.08 -0.77 0.85 0.72 0.98 0.00 0.00 173.24 175.09 3kg8 s PHE 1047N -3.89 -0.26 -0.12 5.02 -0.12 -0.62 -2.17 117.98 115.83 3kg8 s PHE 1047Ca 0.08 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 3kg8 s PHE 1047Cb 0.04 0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 42.96 3kg8 s PHE 1047CO -0.08 -0.83 -0.07 -3.47 -0.05 0.00 0.00 175.22 170.72 3kg8 n ASP 1048N -0.40 2.93 -4.20 1.98 4.64 -1.26 -0.88 116.55 119.36 3kg8 n ASP 1048Ca -0.08 -0.05 -0.41 0.00 -1.38 0.00 0.00 54.79 52.88 3kg8 n ASP 1048Cb 0.61 0.05 -0.05 0.00 -1.04 0.00 0.00 41.12 40.69 3kg8 n ASP 1048CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3kg8 s SER 1066N -4.93 6.27 0.29 1.67 0.15 -1.26 -4.88 113.70 111.00 3kg8 s SER 1066Ca -0.14 -3.26 0.07 0.00 0.70 0.00 0.00 55.95 53.32 3kg8 s SER 1066Cb 0.04 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 3kg8 s SER 1066CO 0.31 -0.34 0.30 1.51 1.20 0.00 0.00 173.24 176.23 3kg8 s ASP 1067N 0.88 5.66 0.11 5.45 1.47 -1.26 -5.13 116.67 123.85 3kg8 s ASP 1067Ca 0.23 -0.27 -0.25 0.00 1.18 0.00 0.00 52.55 53.45 3kg8 s ASP 1067Cb -0.12 -1.31 0.08 0.00 -0.34 0.00 0.00 42.92 41.23 3kg8 s ASP 1067CO -0.09 -0.21 0.72 -1.66 0.68 0.00 0.00 175.17 174.61 3kg8 s TRP 1068N -2.17 -0.44 0.17 2.11 -2.14 -1.26 -4.80 118.94 110.41 3kg8 s TRP 1068Ca 0.38 0.24 0.10 0.00 2.66 0.00 0.00 56.10 59.48 3kg8 s TRP 1068Cb -0.08 0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 30.81 3kg8 s TRP 1068CO 0.27 -0.76 -0.20 0.00 -2.66 0.00 0.00 176.95 173.60 3kg8 s ALA 1069N -3.52 2.65 -0.30 2.67 0.00 -0.92 -4.98 121.76 117.36 3kg8 s ALA 1069Ca 0.03 -1.53 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 3kg8 s ALA 1069Cb -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3kg8 s ALA 1069CO -0.10 0.48 0.08 0.08 0.00 0.00 0.00 175.76 176.30 3kg8 s VAL 1070N -1.51 3.88 -0.10 0.00 1.01 -1.26 -1.88 120.40 120.53 3kg8 s VAL 1070Ca 0.20 -0.79 0.21 0.00 0.00 0.00 0.00 61.98 61.60 3kg8 s VAL 1070Cb -0.09 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 33.01 3kg8 s VAL 1070CO 0.11 0.04 0.54 1.41 0.00 0.00 0.00 175.10 177.19 3kg8 n HIS 1071N 4.85 0.28 -3.64 5.22 8.25 0.75 -1.02 115.22 129.90 3kg8 n HIS 1071Ca -0.14 0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 3kg8 n HIS 1071Cb 0.47 -0.74 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 3kg8 n HIS 1071CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg8 s ALA 1072N -3.23 -1.62 0.23 -1.41 0.00 -1.20 -4.10 121.76 110.42 3kg8 s ALA 1072Ca -0.07 1.73 0.04 0.00 0.00 0.00 0.00 51.96 53.67 3kg8 s ALA 1072Cb 0.11 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3kg8 s ALA 1072CO 0.86 -0.32 -0.02 0.95 0.00 0.00 0.00 175.76 177.23 3kg8 s THR 1073N 0.08 1.16 -5.00 0.00 -4.23 -0.79 -0.88 115.64 105.98 3kg8 s THR 1073Ca -0.02 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3kg8 s THR 1073Cb -0.04 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3kg8 s THR 1073CO 0.02 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3kg8 n GLY 1074N -0.43 0.28 3.55 3.99 0.00 -1.17 -2.40 105.19 109.01 3kg8 n GLY 1074Ca -0.06 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 3kg8 n GLY 1074CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg8 s LYS 1075N -1.95 2.17 0.25 1.61 -2.85 -0.55 -0.25 119.74 118.16 3kg8 s LYS 1075Ca 0.00 -0.98 0.03 0.00 -1.00 0.00 0.00 55.97 54.02 3kg8 s LYS 1075Cb 0.00 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.43 3kg8 s LYS 1075CO 0.00 0.53 0.40 -1.17 0.10 0.00 0.00 175.35 175.20 3kg8 s LEU 1076N -1.93 4.24 -0.17 2.77 2.96 0.76 -0.95 118.68 126.37 3kg8 s LEU 1076Ca 0.19 0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 54.02 3kg8 s LEU 1076Cb -0.11 -3.01 0.13 0.00 0.50 0.00 0.00 46.19 43.70 3kg8 s LEU 1076CO 0.11 -0.10 1.00 -0.55 -1.32 0.00 0.00 176.35 175.49 3kg8 s SER 1077N -3.79 -0.37 -0.16 3.68 0.15 -0.16 -1.17 113.70 111.87 3kg8 s SER 1077Ca 0.36 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 57.15 3kg8 s SER 1077Cb -0.10 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 3kg8 s SER 1077CO 0.31 -0.33 1.20 -0.69 1.20 0.00 0.00 173.24 174.92 3kg8 s VAL 1078N -1.00 4.39 0.00 4.45 1.01 -1.26 -0.98 120.40 127.00 3kg8 s VAL 1078Ca -0.01 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3kg8 s VAL 1078Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3kg8 s VAL 1078CO 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 174.99 3kg8 n ALA 1079N 6.30 0.00 0.00 5.51 0.00 -1.24 -4.81 120.51 126.27 3kg8 n ALA 1079Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3kg8 n ALA 1079Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3kg8 n ALA 1079CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kg8 n GLN 1083N 0.00 0.00 0.00 0.00 3.00 -1.26 -4.71 117.38 114.41 3kg8 n GLN 1083Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3kg8 n GLN 1083Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3kg8 n GLN 1083CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3kg8 n SER 1084N 0.00 0.00 -4.36 1.08 2.88 -1.26 -5.18 113.62 106.78 3kg8 n SER 1084Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 3kg8 n SER 1084Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3kg8 n SER 1084CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kg8 s LEU 1085N 0.00 2.46 -0.16 2.46 1.02 -1.26 -4.18 118.68 119.02 3kg8 s LEU 1085Ca 0.00 -0.36 -0.25 0.00 0.02 0.00 0.00 54.13 53.54 3kg8 s LEU 1085Cb 0.00 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.69 3kg8 s LEU 1085CO 0.00 0.25 0.80 -0.63 0.02 0.00 0.00 176.35 176.78 3kg8 s ILE 1086N -0.16 4.91 -0.64 -0.59 -1.09 -0.04 -5.02 121.20 118.58 3kg8 s ILE 1086Ca -0.02 1.57 -0.24 0.00 -2.23 0.00 0.00 60.65 59.72 3kg8 s ILE 1086Cb -0.14 -4.11 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 3kg8 s ILE 1086CO 0.04 0.06 1.04 -2.16 -1.23 0.00 0.00 174.94 172.68 3kg8 s PRO 1087N 1.99 3.20 0.27 2.79 0.04 -1.26 -4.46 135.00 137.56 3kg8 s PRO 1087Ca 0.37 -0.50 -0.04 0.00 0.04 0.00 0.00 61.00 60.87 3kg8 s PRO 1087Cb -0.17 -4.16 0.33 0.00 0.04 0.00 0.00 34.50 30.55 3kg8 s PRO 1087CO 0.13 -1.80 1.87 1.25 0.04 0.00 0.00 177.00 178.49 3kg8 h LEU 1088N 11.65 0.96 -0.88 -3.56 5.85 -1.96 -2.56 115.31 124.81 3kg8 h LEU 1088Ca -0.28 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3kg8 h LEU 1088Cb 1.07 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3kg8 h LEU 1088CO 1.18 0.81 0.58 -0.08 -0.34 0.00 0.00 178.44 180.59 3kg8 h GLU 1089N 1.06 1.14 -0.47 1.25 4.81 -1.99 -1.33 114.58 119.04 3kg8 h GLU 1089Ca 0.26 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 3kg8 h GLU 1089Cb 0.09 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3kg8 h GLU 1089CO -0.03 0.76 -0.01 0.93 -0.73 0.00 0.00 179.01 179.92 3kg8 h GLU 1090N 1.18 0.84 -0.16 1.92 5.08 -1.88 -2.94 114.58 118.62 3kg8 h GLU 1090Ca 0.33 -0.27 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3kg8 h GLU 1090Cb -0.11 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.08 3kg8 h GLU 1090CO -0.08 0.89 -0.77 -0.84 -1.00 0.00 0.00 179.01 177.21 3kg8 h ILE 1091N 0.70 1.28 -0.92 3.13 3.07 -1.41 -3.08 117.51 120.28 3kg8 h ILE 1091Ca 0.13 -1.97 0.22 0.00 1.55 0.00 0.00 64.86 64.79 3kg8 h ILE 1091Cb 0.52 1.97 -0.07 0.00 -0.27 0.00 0.00 36.82 38.97 3kg8 h ILE 1091CO 0.03 0.63 0.61 1.56 -1.05 0.00 0.00 178.15 179.92 3kg8 h GLN 1092N 0.54 0.35 0.00 0.16 4.20 -1.26 0.28 115.11 119.38 3kg8 h GLN 1092Ca -0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3kg8 h GLN 1092Cb 1.40 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 3kg8 h GLN 1092CO 0.16 0.23 -0.25 0.00 -0.67 0.00 0.00 178.83 178.30 3kg8 h ALA 1093N 1.60 1.39 0.00 3.87 0.00 -1.42 -3.18 119.26 121.52 3kg8 h ALA 1093Ca 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kg8 h ALA 1093Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kg8 h ALA 1093CO -0.17 0.32 -0.91 0.54 0.00 0.00 0.00 179.25 179.03 3kg8 n ARG 1094N -3.95 1.74 -3.69 0.00 1.74 -0.45 -4.57 116.66 107.46 3kg8 n ARG 1094Ca -0.02 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 3kg8 n ARG 1094Cb 0.33 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 3kg8 n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kg8 n SER 1096N 2.11 1.19 -4.56 0.00 3.41 -1.18 -4.56 113.62 110.03 3kg8 n SER 1096Ca 0.22 -0.46 -0.41 0.00 -0.26 0.00 0.00 58.87 57.95 3kg8 n SER 1096Cb 0.36 1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 3kg8 n SER 1096CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3kg8 s GLN 1097N -2.51 3.29 0.15 4.33 0.74 -0.94 -4.88 119.66 119.84 3kg8 s GLN 1097Ca 0.01 0.08 -0.31 0.00 0.05 0.00 0.00 55.36 55.19 3kg8 s GLN 1097Cb 0.09 -4.13 -0.09 0.00 1.10 0.00 0.00 33.01 29.98 3kg8 s GLN 1097CO 0.53 -1.99 1.47 0.21 -0.55 0.00 0.00 175.29 174.96 3kg8 s LYS 1098N 5.51 4.27 -0.04 1.67 2.36 -1.26 0.37 119.74 132.63 3kg8 s LYS 1098Ca 0.42 2.22 0.03 0.00 -2.55 0.00 0.00 55.97 56.08 3kg8 s LYS 1098Cb -0.09 -3.19 0.01 0.00 -1.05 0.00 0.00 37.83 33.51 3kg8 s LYS 1098CO 0.20 -0.50 -0.10 0.42 1.55 0.00 0.00 175.35 176.92 3kg8 s ILE 1099N 0.97 0.92 -0.11 5.43 -1.09 0.73 -4.91 121.20 123.14 3kg8 s ILE 1099Ca 0.66 -0.42 -0.33 0.00 -2.23 0.00 0.00 60.65 58.34 3kg8 s ILE 1099Cb -0.40 -0.83 -0.10 0.00 -1.58 0.00 0.00 42.46 39.55 3kg8 s ILE 1099CO 0.32 0.29 1.99 -0.67 -1.23 0.00 0.00 174.94 175.64 3kg8 n ASP 1100N 3.43 3.42 0.19 3.58 -0.08 -1.26 -3.38 116.55 122.44 3kg8 n ASP 1100Ca -0.20 0.78 0.14 0.00 -1.51 0.00 0.00 54.79 54.00 3kg8 n ASP 1100Cb 0.53 -1.42 0.64 0.00 2.34 0.00 0.00 41.12 43.22 3kg8 n ASP 1100CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3kg8 h SER 1101N 10.71 0.00 0.38 1.67 4.64 -1.91 -1.60 113.55 127.44 3kg8 h SER 1101Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3kg8 h SER 1101Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3kg8 h SER 1101CO 0.96 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 176.68 3kg8 h ALA 1102N 2.10 1.38 -0.26 5.18 0.00 -1.93 -2.82 119.26 122.92 3kg8 h ALA 1102Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3kg8 h ALA 1102Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kg8 h ALA 1102CO 0.00 0.29 -0.10 0.93 0.00 0.00 0.00 179.25 180.37 3kg8 h GLU 1103N 0.00 0.42 0.18 0.00 5.08 -1.67 0.24 114.58 118.83 3kg8 h GLU 1103Ca -0.00 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kg8 h GLU 1103Cb 0.49 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kg8 h GLU 1103CO 0.03 0.53 -0.09 0.82 -1.00 0.00 0.00 179.01 179.30 3kg8 h ILE 1104N 0.39 0.90 -0.71 3.13 2.04 -1.66 -0.53 117.51 121.08 3kg8 h ILE 1104Ca 0.08 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3kg8 h ILE 1104Cb 0.43 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3kg8 h ILE 1104CO 0.02 0.09 0.32 1.88 0.00 0.00 0.00 178.15 180.47 3kg8 h TYR 1105N -0.44 1.01 -0.58 1.37 0.05 -1.54 -2.58 116.97 114.26 3kg8 h TYR 1105Ca -0.02 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 3kg8 h TYR 1105Cb 0.34 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3kg8 h TYR 1105CO -0.01 0.75 0.13 0.37 -1.05 0.00 0.00 178.16 178.35 3kg8 h GLN 1106N 1.00 0.94 -0.22 4.88 5.75 -0.47 0.12 115.11 127.12 3kg8 h GLN 1106Ca 0.24 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3kg8 h GLN 1106Cb 0.13 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 3kg8 h GLN 1106CO -0.03 0.88 -0.13 1.25 -2.65 0.00 0.00 178.83 178.14 3kg8 h HIS 1107N 0.85 -0.33 -0.20 3.99 2.76 -0.79 -1.42 115.15 120.00 3kg8 h HIS 1107Ca 0.18 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 3kg8 h HIS 1107Cb 0.36 0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3kg8 h HIS 1107CO 0.03 -0.20 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.12 3kg8 h LEU 1108N -0.12 0.59 -1.02 0.26 3.38 -1.30 -2.66 115.31 114.44 3kg8 h LEU 1108Ca 0.12 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.77 3kg8 h LEU 1108Cb 0.30 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 3kg8 h LEU 1108CO -0.29 0.98 0.62 -0.25 0.09 0.00 0.00 178.44 179.58 3kg8 h TRP 1109N 0.21 1.07 0.00 1.13 2.91 -0.53 0.54 115.95 121.28 3kg8 h TRP 1109Ca 0.02 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 3kg8 h TRP 1109Cb 0.84 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 3kg8 h TRP 1109CO 0.09 0.26 -0.24 -0.44 -1.03 0.00 0.00 178.44 177.07 3kg8 h ASP 1110N 0.78 0.00 -0.37 2.65 3.45 -1.03 -2.37 116.42 119.53 3kg8 h ASP 1110Ca 0.57 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.03 3kg8 h ASP 1110Cb 0.86 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 3kg8 h ASP 1110CO -0.37 0.24 0.00 0.54 -1.57 0.00 0.00 179.24 178.09 3kg8 n ARG 1111N -3.88 2.50 -0.97 3.56 5.12 0.17 -4.74 116.66 118.42 3kg8 n ARG 1111Ca -0.02 -1.61 0.00 0.00 -1.93 0.00 0.00 57.85 54.30 3kg8 n ARG 1111Cb 0.33 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3kg8 n ARG 1111CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3kg8 n GLN 1112N 0.55 -0.39 -3.02 5.56 1.13 -0.84 -4.83 117.38 115.54 3kg8 n GLN 1112Ca 0.15 0.10 -0.45 0.00 -1.94 0.00 0.00 57.00 54.86 3kg8 n GLN 1112Cb 0.54 -3.40 -0.03 0.00 0.11 0.00 0.00 30.24 27.47 3kg8 n GLN 1112CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kg8 s ILE 1113N -2.12 4.91 -0.57 5.09 1.01 0.23 -3.41 121.20 126.35 3kg8 s ILE 1113Ca 0.00 -1.71 -0.20 0.00 0.00 0.00 0.00 60.65 58.74 3kg8 s ILE 1113Cb 0.00 -4.70 0.08 0.00 0.01 0.00 0.00 42.46 37.85 3kg8 s ILE 1113CO 0.00 -1.39 0.74 -1.00 0.00 0.00 0.00 174.94 173.29 3kg8 s HIS 1114N 2.17 2.94 -0.20 3.97 3.76 0.01 -2.66 115.29 125.28 3kg8 s HIS 1114Ca 0.28 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 3kg8 s HIS 1114Cb -0.07 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.69 3kg8 s HIS 1114CO -0.08 -1.26 0.47 -0.51 -0.85 0.00 0.00 174.74 172.50 3kg8 s LEU 1115N 3.01 4.15 0.00 0.89 1.43 -1.26 -1.99 118.68 124.91 3kg8 s LEU 1115Ca 0.16 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 3kg8 s LEU 1115Cb -0.20 -2.63 0.16 0.00 0.03 0.00 0.00 46.19 43.55 3kg8 s LEU 1115CO 0.10 -0.14 0.88 0.61 0.23 0.00 0.00 176.35 178.04 3kg8 n GLY 1116N 3.90 -1.48 0.20 -3.19 0.00 0.36 -4.92 105.19 100.07 3kg8 n GLY 1116Ca -0.06 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.30 3kg8 n GLY 1116CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kg8 h GLN 1117N 0.00 0.04 0.00 1.61 3.07 -1.95 -2.51 115.11 115.37 3kg8 h GLN 1117Ca -0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.42 3kg8 h GLN 1117Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.35 3kg8 h GLN 1117CO 0.20 0.34 -0.10 0.66 0.09 0.00 0.00 178.83 180.02 3kg8 h SER 1118N 0.04 0.00 -0.11 0.06 4.64 -1.93 -1.91 113.55 114.34 3kg8 h SER 1118Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kg8 h SER 1118Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3kg8 h SER 1118CO 0.04 0.10 0.00 0.49 -0.87 0.00 0.00 176.83 176.59 3kg8 n PHE 1119N -3.29 0.12 -3.10 4.77 3.01 -0.95 -4.64 117.46 113.38 3kg8 n PHE 1119Ca -0.00 -0.06 -0.40 0.00 1.01 0.00 0.00 57.45 57.99 3kg8 n PHE 1119Cb 0.33 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 3kg8 n PHE 1119CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kg8 n ARG 1120N 0.58 4.09 0.11 -1.08 1.74 -0.72 -4.74 116.66 116.64 3kg8 n ARG 1120Ca 0.17 -4.57 -0.19 0.00 -0.77 0.00 0.00 57.85 52.49 3kg8 n ARG 1120Cb 0.42 -2.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.25 3kg8 n ARG 1120CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3kg8 h TRP 1121N 5.27 0.64 -2.30 -1.55 4.06 -1.81 -3.45 115.95 116.81 3kg8 h TRP 1121Ca 0.20 -0.46 -0.54 0.00 2.06 0.00 0.00 58.89 60.14 3kg8 h TRP 1121Cb 0.63 -0.03 0.02 0.00 -1.00 0.00 0.00 29.16 28.79 3kg8 h TRP 1121CO 0.95 1.38 1.25 -0.89 -3.56 0.00 0.00 178.44 177.57 3kg8 n ILE 1122N -3.58 0.73 -0.08 1.49 5.41 -1.26 -1.43 119.36 120.64 3kg8 n ILE 1122Ca -0.12 -0.16 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 3kg8 n ILE 1122Cb 1.05 -2.31 -0.07 0.00 -0.71 0.00 0.00 39.64 37.60 3kg8 n ILE 1122CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3kg8 n GLU 1123N 7.58 0.39 -3.93 0.38 4.07 0.13 -4.95 120.64 124.32 3kg8 n GLU 1123Ca 0.21 0.09 -0.10 0.00 -0.06 0.00 0.00 57.16 57.30 3kg8 n GLU 1123Cb 0.40 -1.30 -0.10 0.00 -0.06 0.00 0.00 31.44 30.38 3kg8 n GLU 1123CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3kg8 s GLN 1124N -2.31 0.44 -0.04 5.31 -0.21 -1.10 -4.71 119.66 117.02 3kg8 s GLN 1124Ca -0.21 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.63 3kg8 s GLN 1124Cb 0.05 0.17 0.02 0.00 1.00 0.00 0.00 33.01 34.25 3kg8 s GLN 1124CO 0.36 -0.09 -0.06 0.08 -2.12 0.00 0.00 175.29 173.45 3kg8 s VAL 1125N -1.65 0.66 -0.19 1.09 1.01 -1.22 -1.54 120.40 118.56 3kg8 s VAL 1125Ca -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3kg8 s VAL 1125Cb -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3kg8 s VAL 1125CO -0.01 0.25 -0.17 0.26 0.00 0.00 0.00 175.10 175.43 3kg8 s TRP 1126N 0.76 2.86 0.09 5.22 0.51 0.22 -0.19 118.94 128.40 3kg8 s TRP 1126Ca -0.11 -1.66 -0.16 0.00 -2.12 0.00 0.00 56.10 52.05 3kg8 s TRP 1126Cb -0.14 -1.94 -0.07 0.00 -0.81 0.00 0.00 33.47 30.51 3kg8 s TRP 1126CO 0.01 -0.79 0.52 -1.17 -0.51 0.00 0.00 176.95 175.01 3kg8 s LEU 1127N 1.29 4.43 0.00 2.99 2.96 0.16 -0.33 118.68 130.17 3kg8 s LEU 1127Ca 0.03 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 3kg8 s LEU 1127Cb -0.14 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.54 3kg8 s LEU 1127CO -0.11 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 3kg8 n GLY 1128N 1.29 5.59 3.36 7.98 0.00 0.19 -2.21 105.19 121.39 3kg8 n GLY 1128Ca -0.09 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.84 3kg8 n GLY 1128CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg8 s GLU 1129N 1.77 3.37 -0.53 1.61 2.02 -1.26 -4.30 118.70 121.37 3kg8 s GLU 1129Ca 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.05 3kg8 s GLU 1129Cb 0.00 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.78 3kg8 s GLU 1129CO 0.00 -1.44 0.00 0.41 0.02 0.00 0.00 175.26 174.25 3kg8 n GLY 1130N 4.76 0.76 3.22 -1.39 0.00 -1.26 -5.01 105.19 106.27 3kg8 n GLY 1130Ca 0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3kg8 n GLY 1130CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kg8 s GLU 1131N -2.19 0.70 0.00 1.61 -1.05 -1.26 -2.52 118.70 114.00 3kg8 s GLU 1131Ca 0.00 -0.38 -0.01 0.00 -0.15 0.00 0.00 54.97 54.42 3kg8 s GLU 1131Cb 0.00 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3kg8 s GLU 1131CO 0.00 -0.20 0.01 0.08 0.95 0.00 0.00 175.26 176.10 3kg8 s VAL 1132N -1.93 0.06 -0.11 1.83 1.01 0.89 -0.64 120.40 121.51 3kg8 s VAL 1132Ca -0.09 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3kg8 s VAL 1132Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.18 3kg8 s VAL 1132CO 0.00 -0.25 -0.23 -0.22 0.00 0.00 0.00 175.10 174.40 3kg8 s LEU 1133N -0.75 2.06 -0.02 3.92 2.96 0.55 -0.94 118.68 126.46 3kg8 s LEU 1133Ca -0.08 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3kg8 s LEU 1133Cb -0.05 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3kg8 s LEU 1133CO -0.00 0.13 -0.18 0.00 -1.32 0.00 0.00 176.35 174.98 3kg8 s GLN 1135N -0.24 4.01 -0.01 0.00 -2.07 -0.59 -1.06 119.66 119.70 3kg8 s GLN 1135Ca 0.03 0.30 0.06 0.00 -1.82 0.00 0.00 55.36 53.93 3kg8 s GLN 1135Cb -0.09 -3.29 -0.02 0.00 -1.09 0.00 0.00 33.01 28.52 3kg8 s GLN 1135CO 0.00 0.52 -0.19 -1.64 -1.32 0.00 0.00 175.29 172.66 3kg8 s MET 1136N -0.49 1.55 -0.03 9.60 -1.94 -0.03 0.23 119.30 128.19 3kg8 s MET 1136Ca 0.22 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.54 3kg8 s MET 1136Cb -0.15 -1.51 -0.00 0.00 2.01 0.00 0.00 34.83 35.17 3kg8 s MET 1136CO 0.10 0.41 -0.16 0.15 -0.01 0.00 0.00 175.02 175.52 3kg8 s LYS 1137N -0.49 1.53 0.04 2.03 1.02 -0.52 -0.63 119.74 122.72 3kg8 s LYS 1137Ca 0.07 -0.55 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 3kg8 s LYS 1137Cb -0.07 -1.38 -0.11 0.00 -0.52 0.00 0.00 37.83 35.75 3kg8 s LYS 1137CO -0.01 0.25 1.88 1.55 -0.92 0.00 0.00 175.35 178.11 3kg8 n VAL 1138N 3.04 0.55 -1.95 3.17 3.14 -0.96 -4.54 118.33 120.78 3kg8 n VAL 1138Ca -0.17 -0.10 -0.37 0.00 -2.96 0.00 0.00 64.34 60.74 3kg8 n VAL 1138Cb 0.53 -2.08 0.03 0.00 -1.06 0.00 0.00 33.84 31.26 3kg8 n VAL 1138CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3kg8 s PRO 1139N 3.59 3.25 0.48 1.45 0.02 -1.26 -4.93 135.00 137.60 3kg8 s PRO 1139Ca 0.87 2.02 0.13 0.00 0.02 0.00 0.00 61.00 64.05 3kg8 s PRO 1139Cb -0.54 -2.21 1.12 0.00 0.02 0.00 0.00 34.50 32.89 3kg8 s PRO 1139CO 0.43 -1.04 2.10 0.87 -0.33 0.00 0.00 177.00 179.03 3kg8 h LYS 1140N 1.46 0.21 0.00 5.54 1.57 -1.92 -2.52 116.57 120.92 3kg8 h LYS 1140Ca -0.50 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 3kg8 h LYS 1140Cb 1.29 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3kg8 h LYS 1140CO 0.57 0.14 -0.13 1.79 -0.57 0.00 0.00 179.45 181.25 3kg8 h THR 1141N 0.22 1.06 -3.54 -0.16 1.35 -1.92 -3.39 112.91 106.53 3kg8 h THR 1141Ca 0.09 -0.45 -0.61 0.00 -0.55 0.00 0.00 66.41 64.88 3kg8 h THR 1141Cb 0.07 1.25 -0.13 0.00 -1.73 0.00 0.00 68.15 67.61 3kg8 h THR 1141CO -0.02 0.13 -0.41 -0.63 -0.25 0.00 0.00 175.52 174.34 3kg8 s ILE 1142N -4.73 5.31 -0.22 6.82 1.01 -0.95 -4.98 121.20 123.47 3kg8 s ILE 1142Ca -0.04 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 3kg8 s ILE 1142Cb 0.16 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 3kg8 s ILE 1142CO 0.68 0.32 -0.31 0.18 0.00 0.00 0.00 174.94 175.82 3kg8 n LEU 1143N 4.31 1.71 -4.08 2.97 4.77 -1.26 -4.75 117.00 120.66 3kg8 n LEU 1143Ca -0.13 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 3kg8 n LEU 1143Cb 0.52 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3kg8 n LEU 1143CO 0.37 0.30 0.93 -3.20 -1.33 0.00 0.00 177.39 174.45 3kg8 n ASN 1144N -4.13 5.90 0.11 -1.43 2.85 -1.26 -4.76 115.26 112.54 3kg8 n ASN 1144Ca -0.39 -3.29 0.13 0.00 -0.11 0.00 0.00 54.58 50.92 3kg8 n ASN 1144Cb 0.74 -1.26 0.32 0.00 1.24 0.00 0.00 39.78 40.82 3kg8 n ASN 1144CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3kg8 h THR 1145N 3.51 0.00 0.00 -0.44 1.35 -1.95 -3.30 112.91 112.07 3kg8 h THR 1145Ca 0.19 -0.56 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 3kg8 h THR 1145Cb 0.70 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3kg8 h THR 1145CO 1.19 0.00 -0.16 0.71 -0.25 0.00 0.00 175.52 177.01 3kg8 h THR 1146N 0.00 0.37 0.00 6.82 1.35 -1.92 -2.51 112.91 117.02 3kg8 h THR 1146Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3kg8 h THR 1146Cb 0.78 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3kg8 h THR 1146CO 0.00 0.15 0.00 1.17 -0.25 0.00 0.00 175.52 176.59 3kg8 n LYS 1147N -3.27 0.13 -3.90 4.72 3.00 -1.24 -4.79 118.16 112.80 3kg8 n LYS 1147Ca 0.01 0.18 -0.25 0.00 -0.00 0.00 0.00 58.31 58.25 3kg8 n LYS 1147Cb 0.42 -1.67 -0.03 0.00 0.00 0.00 0.00 35.03 33.75 3kg8 n LYS 1147CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3kg8 s TYR 1148N -3.09 3.48 -0.06 5.64 1.51 -0.95 -4.65 117.35 119.23 3kg8 s TYR 1148Ca 0.10 0.11 -0.18 0.00 -1.01 0.00 0.00 57.07 56.09 3kg8 s TYR 1148Cb 0.14 -1.67 -0.14 0.00 -0.11 0.00 0.00 41.96 40.19 3kg8 s TYR 1148CO 0.50 0.46 0.72 1.96 -1.11 0.00 0.00 175.55 178.08 3kg8 h GLN 1149N 1.78 -0.21 -2.37 -0.62 7.50 -1.87 -3.46 115.11 115.86 3kg8 h GLN 1149Ca -0.50 0.01 -0.22 0.00 0.50 0.00 0.00 58.65 58.45 3kg8 h GLN 1149Cb 1.21 0.05 -0.32 0.00 0.05 0.00 0.00 27.48 28.46 3kg8 h GLN 1149CO 0.66 0.19 -0.53 -1.17 -1.50 0.00 0.00 178.83 176.47 3kg8 s LEU 1150N -8.88 -0.38 0.35 1.46 2.96 -1.26 -4.19 118.68 108.74 3kg8 s LEU 1150Ca -0.11 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 3kg8 s LEU 1150Cb 0.00 0.79 -0.11 0.00 0.50 0.00 0.00 46.19 47.37 3kg8 s LEU 1150CO 0.40 -0.29 1.52 -2.28 -1.32 0.00 0.00 176.35 174.38 3kg8 s HIS 1151N 2.45 2.64 0.30 5.38 5.65 -1.26 -4.71 115.29 125.73 3kg8 s HIS 1151Ca 0.07 1.04 0.05 0.00 0.25 0.00 0.00 55.06 56.47 3kg8 s HIS 1151Cb -0.15 -4.04 0.76 0.00 -1.18 0.00 0.00 32.58 27.97 3kg8 s HIS 1151CO -0.13 -3.20 1.71 -1.35 -0.65 0.00 0.00 174.74 171.12 3kg8 h PRO 1152N 3.61 0.44 -0.15 2.88 0.11 -1.92 0.12 132.00 137.08 3kg8 h PRO 1152Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3kg8 h PRO 1152Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kg8 h PRO 1152CO 0.69 0.29 -0.14 1.79 -0.21 0.00 0.00 178.00 180.42 3kg8 h THR 1153N 0.45 1.18 -0.09 -1.15 1.35 -1.89 -0.46 112.91 112.29 3kg8 h THR 1153Ca 0.58 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 65.57 3kg8 h THR 1153Cb 1.09 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3kg8 h THR 1153CO -0.51 0.25 -0.16 0.25 -0.25 0.00 0.00 175.52 175.10 3kg8 h LEU 1154N 0.22 0.31 -0.71 3.87 5.85 -1.33 -0.68 115.31 122.85 3kg8 h LEU 1154Ca 0.04 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.31 3kg8 h LEU 1154Cb 0.39 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3kg8 h LEU 1154CO 0.02 0.80 0.34 0.58 -0.34 0.00 0.00 178.44 179.84 3kg8 h VAL 1155N -0.17 0.83 -0.46 1.05 2.07 -1.08 -1.70 116.25 116.80 3kg8 h VAL 1155Ca 0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kg8 h VAL 1155Cb 0.74 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3kg8 h VAL 1155CO 0.04 0.11 0.15 -0.78 0.02 0.00 0.00 177.57 177.10 3kg8 h ASP 1156N 0.58 0.66 -0.83 0.57 3.58 -1.02 -2.81 116.42 117.14 3kg8 h ASP 1156Ca 0.35 -0.20 0.14 0.00 0.42 0.00 0.00 57.03 57.74 3kg8 h ASP 1156Cb 0.38 -0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.17 3kg8 h ASP 1156CO -0.28 0.68 0.43 0.28 -2.88 0.00 0.00 179.24 177.47 3kg8 h SER 1157N 0.60 0.52 -0.88 2.28 0.02 -0.45 0.54 113.55 116.18 3kg8 h SER 1157Ca 0.15 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 3kg8 h SER 1157Cb 0.26 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 3kg8 h SER 1157CO -0.01 0.23 0.54 0.00 -1.14 0.00 0.00 176.83 176.46 3kg8 h PHE 1159N 0.94 0.32 0.00 0.00 0.04 -0.86 -2.75 116.94 114.62 3kg8 h PHE 1159Ca 0.41 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 3kg8 h PHE 1159Cb 0.28 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3kg8 h PHE 1159CO -0.03 0.74 -0.03 1.96 -0.60 0.00 0.00 178.31 180.35 3kg8 h GLN 1160N 0.20 0.00 0.00 1.51 4.20 -0.10 -2.77 115.11 118.14 3kg8 h GLN 1160Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3kg8 h GLN 1160Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 3kg8 h GLN 1160CO 0.09 0.03 -0.09 0.66 -0.67 0.00 0.00 178.83 178.84 3kg8 h SER 1161N 0.00 0.00 1.05 1.46 4.64 -1.13 -1.97 113.55 117.60 3kg8 h SER 1161Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kg8 h SER 1161Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3kg8 h SER 1161CO 0.00 0.09 0.00 0.16 -0.87 0.00 0.00 176.83 176.22 3kg8 h ILE 1162N 0.00 0.00 -0.30 0.95 3.07 -1.67 -2.97 117.51 116.59 3kg8 h ILE 1162Ca -0.00 -0.50 -0.04 0.00 1.55 0.00 0.00 64.86 65.87 3kg8 h ILE 1162Cb 0.19 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 38.18 3kg8 h ILE 1162CO 0.01 0.00 0.03 0.40 -1.05 0.00 0.00 178.15 177.54 3kg8 h ILE 1163N 0.00 1.17 0.00 0.16 2.04 -1.54 -1.52 117.51 117.81 3kg8 h ILE 1163Ca 0.00 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3kg8 h ILE 1163Cb 0.52 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3kg8 h ILE 1163CO 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 178.15 178.37 3kg8 h ALA 1164N 1.60 1.19 -0.00 1.87 0.00 -1.68 -1.78 119.26 120.46 3kg8 h ALA 1164Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kg8 h ALA 1164Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kg8 h ALA 1164CO 0.00 0.00 -0.43 1.28 0.00 0.00 0.00 179.25 180.11 3kg8 n LEU 1165N -3.36 0.72 -0.60 0.00 4.77 -0.57 -4.25 117.00 113.70 3kg8 n LEU 1165Ca -0.03 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 3kg8 n LEU 1165Cb 0.08 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3kg8 n LEU 1165CO 0.23 0.16 0.32 1.33 -1.33 0.00 0.00 177.39 178.10 3kg8 n VAL 1166N -1.18 0.98 0.31 4.08 0.24 -0.69 -4.82 118.33 117.26 3kg8 n VAL 1166Ca 0.08 -1.50 0.20 0.00 -2.04 0.00 0.00 64.34 61.07 3kg8 n VAL 1166Cb 0.34 0.24 0.99 0.00 -1.47 0.00 0.00 33.84 33.95 3kg8 n VAL 1166CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kg8 h LEU 1167N 0.40 0.00 -9.35 1.34 3.38 -1.69 -3.45 115.31 105.95 3kg8 h LEU 1167Ca -0.05 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.27 3kg8 h LEU 1167Cb 1.31 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.12 3kg8 h LEU 1167CO 0.02 0.00 0.52 -0.90 0.09 0.00 0.00 178.44 178.17 3kg8 n ASP 1168N -2.94 1.99 0.00 -0.43 5.68 -1.26 -5.16 116.55 114.44 3kg8 n ASP 1168Ca -0.02 1.11 0.00 0.00 -0.50 0.00 0.00 54.79 55.39 3kg8 n ASP 1168Cb 0.12 -1.26 0.00 0.00 -1.14 0.00 0.00 41.12 38.85 3kg8 n ASP 1168CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kg8 n GLN 1169N 2.61 0.00 0.00 0.11 6.02 -1.26 -5.16 117.38 119.70 3kg8 n GLN 1169Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3kg8 n GLN 1169Cb 0.23 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.49 3kg8 n GLN 1169CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kg8 n ASN 1172N 2.14 0.00 -0.34 1.08 2.85 -1.26 -5.15 115.26 114.57 3kg8 n ASN 1172Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 3kg8 n ASN 1172Cb 0.00 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.30 3kg8 n ASN 1172CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3kg8 n LYS 1173N 0.11 1.44 -0.12 1.20 5.02 -1.26 -4.24 118.16 120.31 3kg8 n LYS 1173Ca 0.00 -0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 55.36 3kg8 n LYS 1173Cb 0.00 -1.26 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 3kg8 n LYS 1173CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kg8 n ASN 1174N -0.03 1.91 -4.84 4.39 5.15 -1.26 -4.11 115.26 116.47 3kg8 n ASN 1174Ca 0.11 0.38 -0.33 0.00 -0.60 0.00 0.00 54.58 54.13 3kg8 n ASN 1174Cb 0.19 -0.89 -0.06 0.00 -0.53 0.00 0.00 39.78 38.49 3kg8 n ASN 1174CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kg8 s GLU 1175N -2.44 4.10 0.26 1.20 2.02 -1.26 -4.68 118.70 117.91 3kg8 s GLU 1175Ca -0.34 0.80 -0.09 0.00 0.02 0.00 0.00 54.97 55.36 3kg8 s GLU 1175Cb 0.10 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 3kg8 s GLU 1175CO 0.54 0.18 0.42 -0.08 0.02 0.00 0.00 175.26 176.34 3kg8 s THR 1176N -1.92 0.00 -0.65 3.63 -1.32 -1.05 -4.94 115.64 109.40 3kg8 s THR 1176Ca 0.53 -1.54 -0.21 0.00 -1.21 0.00 0.00 61.69 59.26 3kg8 s THR 1176Cb -0.11 -2.34 0.09 0.00 -1.51 0.00 0.00 72.50 68.62 3kg8 s THR 1176CO 0.18 0.00 0.87 -0.36 -2.21 0.00 0.00 174.62 173.10 3kg8 s PHE 1177N -3.85 2.83 -0.02 9.09 0.40 -1.26 -0.93 117.98 124.24 3kg8 s PHE 1177Ca 0.27 -0.77 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 3kg8 s PHE 1177Cb 0.01 -4.18 -0.05 0.00 0.51 0.00 0.00 43.02 39.30 3kg8 s PHE 1177CO 0.11 -1.50 0.50 0.14 0.70 0.00 0.00 175.22 175.18 3kg8 s VAL 1178N 3.43 4.99 0.01 -0.44 -7.23 -0.41 -4.72 120.40 116.02 3kg8 s VAL 1178Ca 0.18 1.05 -0.36 0.00 -1.81 0.00 0.00 61.98 61.04 3kg8 s VAL 1178Cb -0.19 -3.83 -0.15 0.00 0.56 0.00 0.00 36.38 32.77 3kg8 s VAL 1178CO 0.07 0.46 1.60 -2.65 -0.31 0.00 0.00 175.10 174.28 3kg8 n PRO 1179N 2.53 1.68 -0.07 4.82 -0.02 -1.26 -0.50 135.00 142.19 3kg8 n PRO 1179Ca -0.10 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3kg8 n PRO 1179Cb 0.51 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3kg8 n PRO 1179CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kg8 n PHE 1180N 4.19 0.00 -3.91 6.00 7.35 0.59 -4.84 117.46 126.84 3kg8 n PHE 1180Ca 0.20 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.80 3kg8 n PHE 1180Cb 0.23 -0.47 -0.07 0.00 0.35 0.00 0.00 39.48 39.52 3kg8 n PHE 1180CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3kg8 s SER 1181N -6.12 0.13 -0.07 -2.13 1.04 -0.94 -3.19 113.70 102.42 3kg8 s SER 1181Ca -0.18 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 3kg8 s SER 1181Cb 0.07 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3kg8 s SER 1181CO 0.23 -0.76 0.13 -0.63 0.98 0.00 0.00 173.24 173.20 3kg8 s ILE 1182N -3.90 -0.15 0.12 -1.02 1.01 -0.70 -0.83 121.20 115.73 3kg8 s ILE 1182Ca 0.09 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 3kg8 s ILE 1182Cb 0.05 -0.24 -0.13 0.00 0.01 0.00 0.00 42.46 42.15 3kg8 s ILE 1182CO -0.08 0.12 1.35 0.44 0.00 0.00 0.00 174.94 176.78 3kg8 h ASP 1183N 7.88 0.96 -2.33 3.58 3.32 -1.44 0.26 116.42 128.65 3kg8 h ASP 1183Ca -0.26 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.24 3kg8 h ASP 1183Cb 1.13 -0.28 -0.22 0.00 0.22 0.00 0.00 39.33 40.18 3kg8 h ASP 1183CO 0.27 1.38 -0.15 -0.75 -1.72 0.00 0.00 179.24 178.27 3kg8 s LYS 1184N -3.92 0.55 -0.22 3.56 2.20 -0.84 -1.90 119.74 119.16 3kg8 s LYS 1184Ca -0.10 1.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.83 3kg8 s LYS 1184Cb 0.09 0.61 0.03 0.00 -1.51 0.00 0.00 37.83 37.06 3kg8 s LYS 1184CO 0.90 -0.20 -0.14 0.12 -0.36 0.00 0.00 175.35 175.67 3kg8 s PHE 1185N 2.55 3.00 -0.22 4.03 5.36 0.22 -1.13 117.98 131.79 3kg8 s PHE 1185Ca -0.06 -1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 54.06 3kg8 s PHE 1185Cb -0.11 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.63 3kg8 s PHE 1185CO -0.18 -0.81 -0.09 0.99 -1.46 0.00 0.00 175.22 173.67 3kg8 s THR 1186N 1.24 2.82 -0.02 0.12 2.01 -0.35 0.02 115.64 121.47 3kg8 s THR 1186Ca -0.00 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 3kg8 s THR 1186Cb -0.16 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 3kg8 s THR 1186CO -0.08 0.37 0.48 0.12 -0.69 0.00 0.00 174.62 174.81 3kg8 s PHE 1187N 1.37 3.67 -0.06 4.92 2.19 -0.13 -0.42 117.98 129.52 3kg8 s PHE 1187Ca 0.03 1.03 -0.08 0.00 0.33 0.00 0.00 56.93 58.25 3kg8 s PHE 1187Cb -0.15 -2.44 -0.03 0.00 -1.31 0.00 0.00 43.02 39.10 3kg8 s PHE 1187CO -0.06 0.46 -0.15 0.66 1.83 0.00 0.00 175.22 177.96 3kg8 n TYR 1188N 2.44 0.00 -3.62 10.12 4.01 0.31 -1.55 117.16 128.88 3kg8 n TYR 1188Ca -0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.49 3kg8 n TYR 1188Cb 0.52 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 3kg8 n TYR 1188CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kg8 s ASN 1189N -5.38 -0.40 -0.16 7.72 3.84 -1.21 -4.02 114.94 115.32 3kg8 s ASN 1189Ca -0.13 0.24 -0.28 0.00 0.21 0.00 0.00 52.86 52.91 3kg8 s ASN 1189Cb 0.02 0.45 -0.01 0.00 -0.55 0.00 0.00 41.25 41.16 3kg8 s ASN 1189CO 0.19 -0.62 0.95 -0.94 -2.79 0.00 0.00 177.10 173.89 3kg8 s SER 1190N -1.65 7.10 0.29 -4.21 1.04 -1.26 -4.65 113.70 110.35 3kg8 s SER 1190Ca -0.08 1.36 -0.29 0.00 0.48 0.00 0.00 55.95 57.41 3kg8 s SER 1190Cb -0.02 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 3kg8 s SER 1190CO 0.02 -0.49 1.08 -0.55 0.98 0.00 0.00 173.24 174.28 3kg8 s SER 1191N 1.15 7.23 0.16 7.02 0.15 -1.26 -4.93 113.70 123.22 3kg8 s SER 1191Ca 0.43 2.21 0.26 0.00 0.70 0.00 0.00 55.95 59.55 3kg8 s SER 1191Cb -0.17 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.44 3kg8 s SER 1191CO 0.13 -0.16 1.79 -0.67 1.20 0.00 0.00 173.24 175.52 3kg8 n ASP 1192N 1.05 0.57 -4.79 5.45 2.03 -1.26 -4.91 116.55 114.69 3kg8 n ASP 1192Ca -0.00 0.57 -0.36 0.00 0.52 0.00 0.00 54.79 55.52 3kg8 n ASP 1192Cb 0.46 -0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 3kg8 n ASP 1192CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3kg8 s ASN 1193N -4.08 6.67 0.00 1.67 0.02 -1.26 -4.95 114.94 113.01 3kg8 s ASN 1193Ca 0.10 1.98 0.30 0.00 -1.02 0.00 0.00 52.86 54.22 3kg8 s ASN 1193Cb 0.13 -2.58 1.43 0.00 0.02 0.00 0.00 41.25 40.26 3kg8 s ASN 1193CO 0.54 -0.55 1.99 0.47 0.02 0.00 0.00 177.10 179.57 3kg8 n ASP 1194N -0.33 0.15 -4.03 -1.22 8.00 -1.26 -4.80 116.55 113.05 3kg8 n ASP 1194Ca 0.06 -0.29 -0.29 0.00 0.71 0.00 0.00 54.79 54.98 3kg8 n ASP 1194Cb 0.51 -0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 41.23 3kg8 n ASP 1194CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kg8 s LEU 1195N -2.54 1.68 0.16 0.64 0.20 -1.26 -2.26 118.68 115.31 3kg8 s LEU 1195Ca 0.29 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.71 3kg8 s LEU 1195Cb 0.20 -1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 44.81 3kg8 s LEU 1195CO 0.47 -0.02 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.65 3kg8 s LEU 1196N 1.21 2.51 -0.09 -0.68 1.43 0.20 -4.42 118.68 118.84 3kg8 s LEU 1196Ca -0.02 -1.03 0.03 0.00 -1.03 0.00 0.00 54.13 52.09 3kg8 s LEU 1196Cb -0.14 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.69 3kg8 s LEU 1196CO -0.05 -0.32 -0.20 0.26 0.23 0.00 0.00 176.35 176.27 3kg8 s TRP 1197N -3.28 2.19 -0.16 0.29 0.52 -0.41 -0.85 118.94 117.25 3kg8 s TRP 1197Ca 0.18 -0.91 -0.04 0.00 0.02 0.00 0.00 56.10 55.36 3kg8 s TRP 1197Cb 0.02 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 3kg8 s TRP 1197CO 0.02 -0.40 -0.03 0.00 0.02 0.00 0.00 176.95 176.56 3kg8 s TYR 1199N 0.43 2.41 -0.10 0.00 6.04 0.22 -1.58 117.35 124.77 3kg8 s TYR 1199Ca -0.03 -1.23 0.00 0.00 0.04 0.00 0.00 57.07 55.85 3kg8 s TYR 1199Cb -0.14 -1.68 0.02 0.00 -1.04 0.00 0.00 41.96 39.12 3kg8 s TYR 1199CO 0.03 -0.59 -0.09 0.99 -1.54 0.00 0.00 175.55 174.35 3kg8 s THR 1200N 0.97 1.03 -0.11 4.34 2.01 -0.12 -0.10 115.64 123.66 3kg8 s THR 1200Ca -0.05 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3kg8 s THR 1200Cb -0.15 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 3kg8 s THR 1200CO -0.04 0.36 -0.19 0.00 -0.69 0.00 0.00 174.62 174.06 3kg8 s GLY 1202N 0.29 -0.30 0.02 0.00 0.00 -1.05 0.32 107.32 106.61 3kg8 s GLY 1202Ca -0.14 1.49 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 3kg8 s GLY 1202CO 0.07 0.48 -0.01 -1.35 0.00 0.00 0.00 173.10 172.29 3kg8 s SER 1203N -2.29 0.24 0.38 1.64 1.04 -0.51 -4.71 113.70 109.49 3kg8 s SER 1203Ca 0.11 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.74 3kg8 s SER 1203Cb 0.00 0.13 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 3kg8 s SER 1203CO -0.04 -0.35 1.28 -0.75 0.98 0.00 0.00 173.24 174.35 3kg8 s LYS 1204N -1.80 4.08 0.69 4.02 2.20 -1.26 -1.65 119.74 126.02 3kg8 s LYS 1204Ca -0.13 2.11 -0.15 0.00 -0.36 0.00 0.00 55.97 57.45 3kg8 s LYS 1204Cb -0.07 -2.83 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 3kg8 s LYS 1204CO -0.02 -0.38 1.16 0.16 -0.36 0.00 0.00 175.35 175.91 3kg8 s ASP 1205N -0.74 4.66 0.07 1.43 -4.77 -0.39 -4.95 116.67 111.99 3kg8 s ASP 1205Ca 0.55 2.20 -0.05 0.00 -3.30 0.00 0.00 52.55 51.95 3kg8 s ASP 1205Cb -0.37 -2.57 -0.28 0.00 -1.09 0.00 0.00 42.92 38.60 3kg8 s ASP 1205CO 0.48 -1.94 1.14 0.11 0.70 0.00 0.00 175.17 175.66 3kg8 h LYS 1206N -0.08 0.28 0.64 2.11 1.57 -1.95 -3.07 116.57 116.07 3kg8 h LYS 1206Ca -0.47 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 57.80 3kg8 h LYS 1206Cb 1.27 0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.77 3kg8 h LYS 1206CO 0.52 1.23 -0.31 1.96 -0.57 0.00 0.00 179.45 182.28 3kg8 h GLN 1207N 0.08 -0.83 0.00 3.15 4.20 -2.00 -3.39 115.11 116.32 3kg8 h GLN 1207Ca -0.14 0.06 -0.36 0.00 0.06 0.00 0.00 58.65 58.27 3kg8 h GLN 1207Cb 1.98 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 29.88 3kg8 h GLN 1207CO 0.21 -0.55 -2.35 -1.13 -0.67 0.00 0.00 178.83 174.33 3kg8 n SER 1208N -4.85 0.97 -0.34 1.46 3.41 -1.26 -5.01 113.62 107.99 3kg8 n SER 1208Ca -0.11 -0.05 -0.04 0.00 -0.26 0.00 0.00 58.87 58.41 3kg8 n SER 1208Cb 0.34 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 3kg8 n SER 1208CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kg8 n GLY 1209N 2.01 0.62 0.00 5.00 0.00 -1.16 -4.93 105.19 106.74 3kg8 n GLY 1209Ca -0.36 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 44.85 3kg8 n GLY 1209CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kg8 n GLU 1210N -2.64 3.40 -4.75 1.61 1.02 -1.26 -4.85 120.64 113.17 3kg8 n GLU 1210Ca -0.04 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 3kg8 n GLU 1210Cb 0.20 -0.97 -0.16 0.00 -0.02 0.00 0.00 31.44 30.49 3kg8 n GLU 1210CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3kg8 s LYS 1211N -1.97 3.09 -0.29 3.49 -2.85 -1.26 -1.13 119.74 118.81 3kg8 s LYS 1211Ca 0.02 -0.83 -0.09 0.00 -1.00 0.00 0.00 55.97 54.07 3kg8 s LYS 1211Cb 0.06 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.35 3kg8 s LYS 1211CO 0.36 0.04 0.13 0.12 0.10 0.00 0.00 175.35 176.10 3kg8 s PHE 1212N 0.70 3.16 0.01 1.78 5.36 -0.52 -1.26 117.98 127.22 3kg8 s PHE 1212Ca -0.09 -0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 55.25 3kg8 s PHE 1212Cb -0.16 -2.32 -0.06 0.00 -0.34 0.00 0.00 43.02 40.14 3kg8 s PHE 1212CO 0.01 -0.40 0.42 0.21 -1.46 0.00 0.00 175.22 174.00 3kg8 s LYS 1213N 1.62 3.93 -0.00 10.12 2.47 -0.66 -1.19 119.74 136.03 3kg8 s LYS 1213Ca 0.05 0.42 -0.15 0.00 -1.56 0.00 0.00 55.97 54.73 3kg8 s LYS 1213Cb -0.16 -3.20 0.02 0.00 -1.46 0.00 0.00 37.83 33.03 3kg8 s LYS 1213CO 0.06 0.68 0.33 0.00 0.16 0.00 0.00 175.35 176.57 3kg8 s ALA 1214N -1.11 -0.81 -0.11 3.13 0.00 0.98 -1.43 121.76 122.41 3kg8 s ALA 1214Ca 0.25 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 3kg8 s ALA 1214Cb -0.17 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3kg8 s ALA 1214CO 0.14 -0.30 -0.08 -0.51 0.00 0.00 0.00 175.76 175.01 3kg8 s ASP 1215N -1.49 4.44 -0.04 0.00 -0.00 0.15 -0.65 116.67 119.09 3kg8 s ASP 1215Ca -0.12 -0.17 0.05 0.00 -0.00 0.00 0.00 52.55 52.32 3kg8 s ASP 1215Cb -0.04 -1.48 -0.01 0.00 -0.00 0.00 0.00 42.92 41.39 3kg8 s ASP 1215CO 0.03 0.24 -0.20 -0.63 -0.00 0.00 0.00 175.17 174.60 3kg8 s ILE 1216N -0.06 1.65 -0.11 0.77 1.01 0.30 -1.14 121.20 123.63 3kg8 s ILE 1216Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3kg8 s ILE 1216Cb -0.14 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3kg8 s ILE 1216CO 0.03 0.47 -0.12 -1.10 0.00 0.00 0.00 174.94 174.22 3kg8 s GLN 1217N -0.19 1.91 -0.21 2.79 -0.21 0.85 -0.12 119.66 124.49 3kg8 s GLN 1217Ca 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 3kg8 s GLN 1217Cb -0.11 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 3kg8 s GLN 1217CO 0.02 -0.13 -0.06 -1.17 -2.12 0.00 0.00 175.29 171.83 3kg8 s LEU 1218N 1.19 2.85 0.00 2.90 2.96 -0.01 0.72 118.68 129.29 3kg8 s LEU 1218Ca -0.03 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3kg8 s LEU 1218Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3kg8 s LEU 1218CO -0.04 0.01 0.28 2.22 -1.32 0.00 0.00 176.35 177.50 3kg8 n PHE 1219N 4.59 -0.81 -3.30 5.38 -1.74 0.46 -0.42 117.46 121.62 3kg8 n PHE 1219Ca -0.18 -2.22 -0.19 0.00 -0.56 0.00 0.00 57.45 54.30 3kg8 n PHE 1219Cb 0.51 0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.81 3kg8 n PHE 1219CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 3kg8 s ASP 1220N -2.89 5.87 0.40 5.98 -1.08 -0.14 -1.29 116.67 123.53 3kg8 s ASP 1220Ca 0.31 -0.19 0.18 0.00 -0.52 0.00 0.00 52.55 52.32 3kg8 s ASP 1220Cb 0.01 -1.12 1.08 0.00 -1.46 0.00 0.00 42.92 41.43 3kg8 s ASP 1220CO 0.22 -0.55 1.81 1.56 0.52 0.00 0.00 175.17 178.72 3kg8 h GLN 1221N 0.77 0.41 -0.33 4.34 4.20 -1.90 -1.07 115.11 121.53 3kg8 h GLN 1221Ca -0.44 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3kg8 h GLN 1221Cb 1.26 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3kg8 h GLN 1221CO 0.51 0.27 0.00 0.72 -0.67 0.00 0.00 178.83 179.66 3kg8 n HIS 1222N -4.58 0.43 -0.91 2.96 8.25 -1.26 -4.90 115.22 115.22 3kg8 n HIS 1222Ca 0.23 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3kg8 n HIS 1222Cb 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 3kg8 n HIS 1222CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kg8 n GLY 1223N 1.13 0.64 3.66 -1.41 0.00 -0.41 -4.88 105.19 103.93 3kg8 n GLY 1223Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3kg8 n GLY 1223CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg8 s GLN 1224N -0.32 4.24 0.11 1.61 -0.21 -1.26 -0.86 119.66 122.97 3kg8 s GLN 1224Ca 0.00 1.77 -0.31 0.00 0.02 0.00 0.00 55.36 56.84 3kg8 s GLN 1224Cb 0.00 -3.77 -0.10 0.00 1.00 0.00 0.00 33.01 30.15 3kg8 s GLN 1224CO 0.00 -0.69 1.79 -1.17 -2.12 0.00 0.00 175.29 173.10 3kg8 s LEU 1225N 3.38 4.39 -0.25 2.90 2.96 -1.26 -0.96 118.68 129.84 3kg8 s LEU 1225Ca 0.58 2.69 -0.14 0.00 -0.22 0.00 0.00 54.13 57.05 3kg8 s LEU 1225Cb -0.24 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.73 3kg8 s LEU 1225CO 0.18 -0.98 -0.17 0.52 -1.32 0.00 0.00 176.35 174.59 3kg8 n VAL 1226N 4.74 1.54 -3.69 1.68 0.31 0.44 -4.48 118.33 118.86 3kg8 n VAL 1226Ca 0.17 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 3kg8 n VAL 1226Cb 0.39 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 3kg8 n VAL 1226CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kg8 s ALA 1227N -2.48 -0.89 -0.07 3.52 0.00 -0.76 -0.53 121.76 120.56 3kg8 s ALA 1227Ca -0.35 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 3kg8 s ALA 1227Cb 0.12 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3kg8 s ALA 1227CO 0.54 -0.45 0.28 1.14 0.00 0.00 0.00 175.76 177.27 3kg8 s GLN 1228N -2.58 0.46 -0.23 0.00 -2.07 0.44 -0.83 119.66 114.85 3kg8 s GLN 1228Ca -0.05 0.12 0.02 0.00 -1.82 0.00 0.00 55.36 53.63 3kg8 s GLN 1228Cb -0.01 0.21 0.04 0.00 -1.09 0.00 0.00 33.01 32.17 3kg8 s GLN 1228CO -0.03 -0.09 -0.14 0.08 -1.32 0.00 0.00 175.29 173.78 3kg8 s VAL 1229N -0.50 2.17 -0.20 3.63 1.01 0.82 -1.22 120.40 126.12 3kg8 s VAL 1229Ca -0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 3kg8 s VAL 1229Cb -0.04 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3kg8 s VAL 1229CO 0.02 0.18 0.01 -0.63 0.00 0.00 0.00 175.10 174.68 3kg8 s ILE 1230N 1.18 4.06 -0.19 2.22 -1.09 -0.28 -0.54 121.20 126.57 3kg8 s ILE 1230Ca -0.04 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 3kg8 s ILE 1230Cb -0.17 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3kg8 s ILE 1230CO -0.08 0.43 0.15 0.61 -1.23 0.00 0.00 174.94 174.82 3kg8 n GLY 1231N 4.13 0.72 3.72 6.18 0.00 -1.14 -1.99 105.19 116.81 3kg8 n GLY 1231Ca -0.17 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3kg8 n GLY 1231CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kg8 s PHE 1232N -2.97 3.28 -0.12 1.61 5.36 0.18 -2.75 117.98 122.57 3kg8 s PHE 1232Ca 0.07 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 3kg8 s PHE 1232Cb -0.03 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 3kg8 s PHE 1232CO 0.09 -2.15 -0.11 -2.00 -1.46 0.00 0.00 175.22 169.59 3kg8 s GLU 1233N 1.01 1.93 0.10 10.12 2.12 -0.01 -0.01 118.70 133.95 3kg8 s GLU 1233Ca 0.63 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3kg8 s GLU 1233Cb -0.35 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.18 3kg8 s GLU 1233CO 0.31 -0.21 0.08 0.20 -0.54 0.00 0.00 175.26 175.09 3kg8 s GLY 1234N 1.48 1.95 0.01 -1.50 0.00 -0.33 -0.30 107.32 108.63 3kg8 s GLY 1234Ca 0.03 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.73 3kg8 s GLY 1234CO -0.08 -1.05 -0.16 0.50 0.00 0.00 0.00 173.10 172.31 3kg8 s ARG 1235N -2.52 1.17 -0.18 2.90 0.52 0.34 -1.43 118.95 119.74 3kg8 s ARG 1235Ca 0.29 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 3kg8 s ARG 1235Cb -0.12 -1.17 -0.04 0.00 0.52 0.00 0.00 34.95 34.14 3kg8 s ARG 1235CO 0.22 0.31 1.77 0.15 0.02 0.00 0.00 175.30 177.76 3kg8 s LYS 1236N -0.75 3.74 0.03 3.54 1.02 -0.28 -1.29 119.74 125.75 3kg8 s LYS 1236Ca 0.05 1.87 -0.07 0.00 0.02 0.00 0.00 55.97 57.83 3kg8 s LYS 1236Cb -0.07 -4.11 -0.00 0.00 -0.52 0.00 0.00 37.83 33.13 3kg8 s LYS 1236CO 0.00 -1.38 0.14 0.00 -0.92 0.00 0.00 175.35 173.20 3kg8 s ALA 1237N 5.59 -0.25 -0.38 5.17 0.00 -0.10 -4.93 121.76 126.87 3kg8 s ALA 1237Ca 0.79 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 3kg8 s ALA 1237Cb -0.29 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3kg8 s ALA 1237CO 0.32 -0.30 0.99 1.21 0.00 0.00 0.00 175.76 177.98 3kg8 s ASN 1238N -1.89 6.72 0.66 0.00 3.84 -1.26 -2.51 114.94 120.49 3kg8 s ASN 1238Ca -0.08 0.65 0.13 0.00 0.21 0.00 0.00 52.86 53.77 3kg8 s ASN 1238Cb -0.03 -2.49 0.70 0.00 -0.55 0.00 0.00 41.25 38.88 3kg8 s ASN 1238CO -0.02 -0.93 1.39 -0.65 -2.79 0.00 0.00 177.10 174.09 3kg8 h PRO 1239N 8.53 0.00 -0.63 0.43 0.11 -1.88 -2.43 132.00 136.13 3kg8 h PRO 1239Ca -0.23 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.89 3kg8 h PRO 1239Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3kg8 h PRO 1239CO 1.02 0.00 0.41 0.87 -0.21 0.00 0.00 178.00 180.09 3kg8 h LYS 1240N 0.00 0.83 -0.65 1.05 1.57 -1.95 -2.73 116.57 114.69 3kg8 h LYS 1240Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kg8 h LYS 1240Cb 1.51 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 3kg8 h LYS 1240CO -0.00 0.55 0.35 -0.84 -0.57 0.00 0.00 179.45 178.94 3kg8 h ILE 1241N 0.85 1.20 0.00 1.86 3.07 -1.86 -3.52 117.51 119.11 3kg8 h ILE 1241Ca 0.23 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3kg8 h ILE 1241Cb -0.10 0.32 0.00 0.00 -0.27 0.00 0.00 36.82 36.78 3kg8 h ILE 1241CO -0.05 0.22 0.00 0.18 -1.05 0.00 0.00 178.15 177.45