#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg8 s LYS 944 N 0.00 3.70 0.51 -0.78 2.20 -1.26 -4.81 119.74 119.29 3kg8 s LYS 944 Ca 0.00 -0.38 0.28 0.00 -0.36 0.00 0.00 55.97 55.50 3kg8 s LYS 944 Cb 0.00 -3.75 1.34 0.00 -1.51 0.00 0.00 37.83 33.91 3kg8 s LYS 944 CO 0.00 -0.39 2.01 -0.07 -0.36 0.00 0.00 175.35 176.54 3kg8 h LEU 945 N 8.58 0.00 -7.00 5.43 3.38 -1.58 -3.45 115.31 120.67 3kg8 h LEU 945 Ca -0.32 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3kg8 h LEU 945 Cb 1.16 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.64 3kg8 h LEU 945 CO 0.64 0.14 0.52 -2.28 0.09 0.00 0.00 178.44 177.55 3kg8 s HIS 946 N -4.01 -0.41 0.58 1.13 5.04 -1.07 -4.96 115.29 111.60 3kg8 s HIS 946 Ca -0.02 1.00 0.30 0.00 -1.54 0.00 0.00 55.06 54.81 3kg8 s HIS 946 Cb 0.12 0.38 1.62 0.00 0.04 0.00 0.00 32.58 34.74 3kg8 s HIS 946 CO 0.59 -0.20 1.91 -1.00 -2.34 0.00 0.00 174.74 173.70 3kg8 h PRO 947 N 4.04 0.00 -0.00 2.88 0.13 -1.87 0.39 132.00 137.57 3kg8 h PRO 947 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3kg8 h PRO 947 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kg8 h PRO 947 CO 0.12 0.00 -0.83 1.28 -0.23 0.00 0.00 178.00 178.34 3kg8 n LEU 948 N -2.81 1.32 -3.87 1.56 4.77 -1.26 -4.95 117.00 111.76 3kg8 n LEU 948 Ca -0.02 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 3kg8 n LEU 948 Cb 0.33 -0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.25 3kg8 n LEU 948 CO 0.13 0.29 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.43 3kg8 s ILE 949 N -2.84 0.72 -0.10 -0.08 1.01 0.14 -4.72 121.20 115.34 3kg8 s ILE 949 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3kg8 s ILE 949 Cb 0.17 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 3kg8 s ILE 949 CO 0.77 0.30 0.22 0.78 0.00 0.00 0.00 174.94 177.02 3kg8 h ASN 950 N 7.93 -0.06 -4.51 3.58 4.21 -1.10 -2.68 115.58 122.94 3kg8 h ASN 950 Ca -0.28 -0.15 -0.24 0.00 1.21 0.00 0.00 56.30 56.84 3kg8 h ASN 950 Cb 1.14 0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 38.21 3kg8 h ASN 950 CO 0.37 0.50 -0.70 0.00 -1.29 0.00 0.00 177.43 176.32 3kg8 s GLN 951 N -1.94 0.89 -0.07 0.81 0.00 -0.75 -3.78 119.66 114.83 3kg8 s GLN 951 Ca -0.04 -1.37 0.03 0.00 -0.00 0.00 0.00 55.36 53.98 3kg8 s GLN 951 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 33.01 32.72 3kg8 s GLN 951 CO 0.14 -0.02 -0.15 0.21 0.00 0.00 0.00 175.29 175.48 3kg8 s LYS 952 N -3.83 2.74 -0.06 9.60 2.20 -1.26 0.02 119.74 129.15 3kg8 s LYS 952 Ca 0.14 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3kg8 s LYS 952 Cb 0.05 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 3kg8 s LYS 952 CO -0.03 0.49 -0.13 0.12 -0.36 0.00 0.00 175.35 175.44 3kg8 s PHE 953 N -0.39 1.44 0.07 4.03 5.36 0.20 -4.98 117.98 123.70 3kg8 s PHE 953 Ca 0.04 -0.49 -0.12 0.00 -0.96 0.00 0.00 56.93 55.40 3kg8 s PHE 953 Cb -0.12 -1.04 0.02 0.00 -0.34 0.00 0.00 43.02 41.54 3kg8 s PHE 953 CO 0.02 -0.23 0.28 1.14 -1.46 0.00 0.00 175.22 174.97 3kg8 s GLN 954 N 0.49 0.84 -0.15 10.12 -2.07 -1.26 -1.14 119.66 126.49 3kg8 s GLN 954 Ca -0.11 -0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 52.63 3kg8 s GLN 954 Cb -0.14 0.36 0.04 0.00 -1.09 0.00 0.00 33.01 32.18 3kg8 s GLN 954 CO 0.03 -0.28 0.40 0.45 -1.32 0.00 0.00 175.29 174.58 3kg8 s SER 955 N -2.36 -0.42 0.63 12.60 0.15 -1.26 -5.01 113.70 118.04 3kg8 s SER 955 Ca -0.02 0.79 0.23 0.00 0.70 0.00 0.00 55.95 57.66 3kg8 s SER 955 Cb 0.01 0.81 1.14 0.00 -1.71 0.00 0.00 66.02 66.27 3kg8 s SER 955 CO -0.06 -0.15 1.62 -0.65 1.20 0.00 0.00 173.24 175.19 3kg8 h PRO 956 N 5.43 0.00 -0.68 5.44 0.11 -2.01 -0.01 132.00 140.28 3kg8 h PRO 956 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kg8 h PRO 956 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kg8 h PRO 956 CO 0.26 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.33 3kg8 n LEU 957 N -3.11 3.92 -4.05 2.35 4.32 -1.26 -4.88 117.00 114.29 3kg8 n LEU 957 Ca 0.06 -2.05 -0.24 0.00 -0.02 0.00 0.00 56.01 53.76 3kg8 n LEU 957 Cb 0.79 -0.47 -0.16 0.00 -1.62 0.00 0.00 43.42 41.96 3kg8 n LEU 957 CO 0.17 0.95 -0.47 -0.55 -1.22 0.00 0.00 177.39 176.26 3kg8 s SER 958 N -1.00 1.75 0.09 -1.43 0.15 -0.02 -5.03 113.70 108.20 3kg8 s SER 958 Ca 0.46 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 3kg8 s SER 958 Cb 0.25 -0.65 -0.10 0.00 -1.71 0.00 0.00 66.02 63.81 3kg8 s SER 958 CO 0.31 0.07 1.40 0.50 1.20 0.00 0.00 173.24 176.71 3kg8 h LYS 959 N 6.65 0.66 -6.60 5.44 3.64 -1.90 -3.41 116.57 121.04 3kg8 h LYS 959 Ca -0.32 -0.37 -0.48 0.00 -1.27 0.00 0.00 60.65 58.21 3kg8 h LYS 959 Cb 1.18 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3kg8 h LYS 959 CO 0.48 0.98 -0.12 -1.83 -2.27 0.00 0.00 179.45 176.68 3kg8 s GLU 960 N -4.28 3.52 -0.13 1.90 1.03 -1.26 -4.54 118.70 114.93 3kg8 s GLU 960 Ca -0.12 -0.18 -0.02 0.00 0.03 0.00 0.00 54.97 54.68 3kg8 s GLU 960 Cb 0.08 -2.60 -0.03 0.00 -0.80 0.00 0.00 34.13 30.78 3kg8 s GLU 960 CO 0.82 0.08 -0.07 0.42 -1.33 0.00 0.00 175.26 175.19 3kg8 s ILE 961 N -2.38 3.65 -0.00 1.83 1.01 0.10 -4.71 121.20 120.71 3kg8 s ILE 961 Ca 0.42 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3kg8 s ILE 961 Cb -0.10 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3kg8 s ILE 961 CO 0.37 0.53 -0.12 -0.36 0.00 0.00 0.00 174.94 175.36 3kg8 s PHE 962 N 0.05 2.75 0.02 3.97 0.08 -0.29 -0.36 117.98 124.20 3kg8 s PHE 962 Ca -0.01 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 56.99 3kg8 s PHE 962 Cb -0.14 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 3kg8 s PHE 962 CO 0.03 0.29 -0.24 -0.06 -0.10 0.00 0.00 175.22 175.14 3kg8 s PHE 963 N -0.91 2.11 0.07 0.36 0.08 -0.30 0.60 117.98 119.99 3kg8 s PHE 963 Ca 0.15 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.87 3kg8 s PHE 963 Cb -0.11 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 3kg8 s PHE 963 CO 0.05 0.06 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.04 3kg8 s GLU 964 N -0.97 1.14 -0.26 0.44 2.12 0.10 -1.48 118.70 119.79 3kg8 s GLU 964 Ca 0.10 -1.02 -0.24 0.00 0.36 0.00 0.00 54.97 54.17 3kg8 s GLU 964 Cb -0.09 -1.29 0.07 0.00 0.26 0.00 0.00 34.13 33.07 3kg8 s GLU 964 CO 0.01 0.31 0.70 0.45 -0.54 0.00 0.00 175.26 176.19 3kg8 s SER 965 N -1.57 -0.73 -0.32 -1.70 0.15 -0.50 -0.66 113.70 108.38 3kg8 s SER 965 Ca 0.05 1.40 -0.07 0.00 0.70 0.00 0.00 55.95 58.04 3kg8 s SER 965 Cb -0.09 1.42 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 3kg8 s SER 965 CO 0.03 -0.24 0.09 -0.31 1.20 0.00 0.00 173.24 174.01 3kg8 s TYR 966 N 0.40 3.20 -0.25 3.44 2.02 -1.26 0.11 117.35 125.00 3kg8 s TYR 966 Ca -0.00 -1.20 -0.15 0.00 -0.37 0.00 0.00 57.07 55.35 3kg8 s TYR 966 Cb -0.05 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3kg8 s TYR 966 CO 0.00 -0.66 0.35 -0.06 -1.57 0.00 0.00 175.55 173.62 3kg8 s PHE 967 N 1.45 3.28 0.11 2.71 0.40 0.34 -4.84 117.98 121.43 3kg8 s PHE 967 Ca 0.00 0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 56.52 3kg8 s PHE 967 Cb -0.18 -2.53 0.07 0.00 0.51 0.00 0.00 43.02 40.89 3kg8 s PHE 967 CO 0.03 -0.15 0.63 -1.54 0.70 0.00 0.00 175.22 174.89 3kg8 s SER 968 N 1.45 -0.58 0.38 1.36 1.04 -1.26 -1.83 113.70 114.26 3kg8 s SER 968 Ca 0.15 0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.84 3kg8 s SER 968 Cb -0.15 0.58 0.76 0.00 0.10 0.00 0.00 66.02 67.30 3kg8 s SER 968 CO 0.09 -0.88 1.88 0.71 0.98 0.00 0.00 173.24 176.02 3kg8 h THR 969 N 2.21 1.21 -0.62 2.02 1.35 -1.78 0.13 112.91 117.42 3kg8 h THR 969 Ca -0.32 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.54 3kg8 h THR 969 Cb 1.27 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 3kg8 h THR 969 CO 0.38 0.29 0.31 -0.08 -0.25 0.00 0.00 175.52 176.17 3kg8 h GLU 970 N 0.13 0.88 0.06 4.72 4.81 -1.94 -2.53 114.58 120.71 3kg8 h GLU 970 Ca 0.02 -0.12 -0.26 0.00 -0.13 0.00 0.00 59.36 58.87 3kg8 h GLU 970 Cb 0.50 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3kg8 h GLU 970 CO 0.03 0.69 -1.26 -0.91 -0.73 0.00 0.00 179.01 176.84 3kg8 h ASN 971 N 0.85 0.20 -2.47 1.04 2.35 -1.82 -3.40 115.58 112.32 3kg8 h ASN 971 Ca 0.22 -0.24 -0.59 0.00 -0.55 0.00 0.00 56.30 55.13 3kg8 h ASN 971 Cb 0.09 -0.06 -0.40 0.00 0.05 0.00 0.00 38.32 38.00 3kg8 h ASN 971 CO -0.03 1.19 -0.86 0.18 -1.65 0.00 0.00 177.43 176.27 3kg8 n LEU 972 N -3.39 0.95 -0.20 1.61 4.77 0.42 -4.97 117.00 116.19 3kg8 n LEU 972 Ca -0.08 -4.75 0.22 0.00 -0.03 0.00 0.00 56.01 51.37 3kg8 n LEU 972 Cb 1.00 0.11 0.58 0.00 -2.33 0.00 0.00 43.42 42.78 3kg8 n LEU 972 CO 0.49 1.89 1.23 -0.65 -1.33 0.00 0.00 177.39 179.02 3kg8 h PRO 973 N 5.15 0.26 0.00 3.23 0.11 -1.67 -0.91 132.00 138.17 3kg8 h PRO 973 Ca 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3kg8 h PRO 973 Cb 0.84 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kg8 h PRO 973 CO 0.52 0.17 -0.04 0.27 -0.21 0.00 0.00 178.00 178.71 3kg8 h PHE 974 N 0.27 0.00 -0.65 0.65 -5.15 -1.94 -1.91 116.94 108.21 3kg8 h PHE 974 Ca 0.44 0.00 0.19 0.00 -0.20 0.00 0.00 57.97 58.40 3kg8 h PHE 974 Cb 1.29 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.43 3kg8 h PHE 974 CO -0.00 0.04 0.48 -0.07 -2.00 0.00 0.00 178.31 176.75 3kg8 h LEU 975 N 0.00 0.00 0.00 2.10 3.38 -1.50 0.19 115.31 119.48 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 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kg8 h LEU 975 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3kg8 n ALA 976 N -2.65 1.61 0.10 1.53 0.00 -0.72 -2.12 120.51 118.27 3kg8 n ALA 976 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3kg8 n ALA 976 Cb 0.73 -1.21 0.23 0.00 0.00 0.00 0.00 19.45 19.20 3kg8 n ALA 976 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kg8 n ASP 977 N -1.48 3.50 -3.87 0.00 8.00 0.66 -4.65 116.55 118.72 3kg8 n ASP 977 Ca 0.03 -1.97 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 3kg8 n ASP 977 Cb 0.15 -0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.30 2.87 -0.21 1.24 2.46 -0.90 0.24 115.29 119.68 3kg8 s HIS 978 Ca 0.39 -2.98 -0.04 0.00 0.47 0.00 0.00 55.06 52.90 3kg8 s HIS 978 Cb 0.22 -2.53 -0.02 0.00 -0.13 0.00 0.00 32.58 30.12 3kg8 s HIS 978 CO 0.30 -0.73 -0.02 0.42 -2.47 0.00 0.00 174.74 172.24 3kg8 s ILE 979 N -0.24 3.68 -0.19 0.89 -1.09 -0.97 -2.66 121.20 120.64 3kg8 s ILE 979 Ca 0.18 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 3kg8 s ILE 979 Cb -0.23 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3kg8 s ILE 979 CO -0.02 0.43 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.25 3kg8 s VAL 980 N 1.20 2.00 -1.47 2.92 1.01 0.39 -0.02 120.40 126.43 3kg8 s VAL 980 Ca 0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3kg8 s VAL 980 Cb -0.14 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kg8 s VAL 980 CO 0.00 0.42 0.48 -1.22 0.00 0.00 0.00 175.10 174.78 3kg8 n TYR 981 N 4.61 -1.67 -1.19 5.22 4.02 -0.48 -1.91 117.16 125.76 3kg8 n TYR 981 Ca -0.19 0.76 -0.07 0.00 -0.01 0.00 0.00 57.90 58.39 3kg8 n TYR 981 Cb 0.49 -3.58 -0.03 0.00 -0.02 0.00 0.00 39.34 36.20 3kg8 n TYR 981 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kg8 n GLU 982 N -4.41 -0.68 -4.59 -0.72 1.02 -1.26 -5.00 120.64 104.99 3kg8 n GLU 982 Ca -0.24 0.65 -0.24 0.00 -0.02 0.00 0.00 57.16 57.31 3kg8 n GLU 982 Cb 0.65 -4.46 -0.14 0.00 -0.02 0.00 0.00 31.44 27.47 3kg8 n GLU 982 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kg8 s GLN 983 N -2.24 1.29 -0.30 3.49 -0.21 -0.80 -5.07 119.66 115.81 3kg8 s GLN 983 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.22 3kg8 s GLN 983 Cb 0.00 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 32.63 3kg8 s GLN 983 CO 0.00 0.35 1.56 0.08 -2.12 0.00 0.00 175.29 175.16 3kg8 s VAL 984 N -0.78 3.76 -0.14 1.09 1.01 -1.26 -0.46 120.40 123.61 3kg8 s VAL 984 Ca 0.06 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.87 3kg8 s VAL 984 Cb -0.08 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3kg8 s VAL 984 CO 0.01 -0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 173.81 3kg8 s VAL 985 N 5.52 1.69 -0.13 2.92 1.01 -1.09 -0.91 120.40 129.41 3kg8 s VAL 985 Ca 0.69 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 3kg8 s VAL 985 Cb -0.21 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3kg8 s VAL 985 CO 0.30 0.48 1.35 -0.69 0.00 0.00 0.00 175.10 176.54 3kg8 s VAL 986 N 1.27 4.10 0.60 2.92 1.01 -0.20 -4.77 120.40 125.32 3kg8 s VAL 986 Ca 0.01 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 3kg8 s VAL 986 Cb -0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kg8 s VAL 986 CO -0.08 -0.11 1.07 -2.16 0.00 0.00 0.00 175.10 173.82 3kg8 s PRO 987 N 3.50 3.25 0.57 2.72 0.04 -1.26 -4.36 135.00 139.45 3kg8 s PRO 987 Ca 0.59 1.28 0.30 0.00 0.04 0.00 0.00 61.00 63.22 3kg8 s PRO 987 Cb -0.25 -2.02 1.45 0.00 0.04 0.00 0.00 34.50 33.73 3kg8 s PRO 987 CO 0.19 -0.88 1.85 0.78 0.04 0.00 0.00 177.00 178.98 3kg8 h GLY 988 N 0.49 0.00 1.56 0.56 0.00 -1.95 -1.09 103.07 102.64 3kg8 h GLY 988 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3kg8 h GLY 988 CO 0.57 0.00 0.30 0.00 0.00 0.00 0.00 176.54 177.41 3kg8 h ALA 989 N 1.43 1.68 -0.40 3.60 0.00 -1.90 -1.91 119.26 121.76 3kg8 h ALA 989 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3kg8 h ALA 989 Cb 1.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3kg8 h ALA 989 CO -0.00 0.30 -0.19 1.03 0.00 0.00 0.00 179.25 180.39 3kg8 h SER 990 N 0.61 0.77 -0.20 0.00 0.87 -1.41 -2.57 113.55 111.63 3kg8 h SER 990 Ca 0.16 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 3kg8 h SER 990 Cb -0.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3kg8 h SER 990 CO -0.04 0.96 -0.15 0.45 -0.53 0.00 0.00 176.83 177.52 3kg8 h HIS 991 N 0.68 0.67 -0.24 2.24 3.86 -1.45 -0.59 115.15 120.32 3kg8 h HIS 991 Ca 0.10 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3kg8 h HIS 991 Cb 0.69 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 3kg8 h HIS 991 CO 0.04 0.73 0.02 0.82 0.86 0.00 0.00 177.93 180.39 3kg8 h ILE 992 N 0.55 0.85 -0.56 2.45 1.08 -1.32 -0.25 117.51 120.31 3kg8 h ILE 992 Ca 0.09 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3kg8 h ILE 992 Cb 0.58 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 3kg8 h ILE 992 CO 0.04 0.02 0.33 -1.28 -0.69 0.00 0.00 178.15 176.56 3kg8 h SER 993 N 0.10 0.67 0.50 1.72 0.87 -1.00 -1.52 113.55 114.89 3kg8 h SER 993 Ca 0.11 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 3kg8 h SER 993 Cb 0.14 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3kg8 h SER 993 CO -0.18 0.52 -0.75 0.25 -0.53 0.00 0.00 176.83 176.14 3kg8 h LEU 994 N 0.77 0.24 -0.69 2.23 5.85 -0.64 -1.98 115.31 121.09 3kg8 h LEU 994 Ca 0.20 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3kg8 h LEU 994 Cb -0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3kg8 h LEU 994 CO -0.04 0.91 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.33 3kg8 h LEU 995 N 0.13 0.28 -1.08 2.25 3.38 -0.30 -1.19 115.31 118.78 3kg8 h LEU 995 Ca -0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3kg8 h LEU 995 Cb 1.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kg8 h LEU 995 CO 0.11 0.79 -0.32 -0.07 0.09 0.00 0.00 178.44 179.04 3kg8 h LEU 996 N 0.19 0.24 0.02 1.67 3.38 -1.19 -0.76 115.31 118.87 3kg8 h LEU 996 Ca -0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kg8 h LEU 996 Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3kg8 h LEU 996 CO 0.09 0.56 -0.01 0.00 0.09 0.00 0.00 178.44 179.17 3kg8 h ALA 997 N 1.46 -0.03 -0.52 1.53 0.00 -0.98 -1.75 119.26 118.96 3kg8 h ALA 997 Ca 0.03 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3kg8 h ALA 997 Cb 0.68 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 3kg8 h ALA 997 CO 0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 179.25 178.91 3kg8 h ALA 998 N 0.53 0.41 -0.79 0.00 0.00 -1.20 -2.70 119.26 115.51 3kg8 h ALA 998 Ca -0.00 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kg8 h ALA 998 Cb 0.41 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3kg8 h ALA 998 CO 0.01 -0.42 0.51 0.00 0.00 0.00 0.00 179.25 179.35 3kg8 h ALA 999 N 1.50 1.03 0.00 0.00 0.00 -1.00 -1.75 119.26 119.03 3kg8 h ALA 999 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kg8 h ALA 999 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kg8 h ALA 999 CO -0.49 0.35 -0.07 0.66 0.00 0.00 0.00 179.25 179.70 3kg8 h SER 1000N 1.01 0.00 0.70 0.00 4.64 -0.99 0.11 113.55 119.02 3kg8 h SER 1000Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3kg8 h SER 1000Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3kg8 h SER 1000CO -0.10 0.07 -0.72 0.18 -0.87 0.00 0.00 176.83 175.39 3kg8 n LEU 1001N -3.29 0.65 -0.13 5.97 4.77 -0.73 -4.49 117.00 119.74 3kg8 n LEU 1001Ca -0.01 0.13 -0.27 0.00 -0.03 0.00 0.00 56.01 55.83 3kg8 n LEU 1001Cb 0.26 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3kg8 n LEU 1001CO 0.27 -0.01 -1.41 0.41 -1.33 0.00 0.00 177.39 175.33 3kg8 n THR 1002N -1.99 1.47 -3.59 -5.08 -1.04 -0.48 -5.01 114.28 98.57 3kg8 n THR 1002Ca 0.03 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.05 61.31 3kg8 n THR 1002Cb 0.43 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.10 3kg8 n THR 1002CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3kg8 s PHE 1003N -2.50 3.48 0.03 -1.42 2.99 0.26 -5.00 117.98 115.83 3kg8 s PHE 1003Ca -0.37 0.68 -0.18 0.00 0.00 0.00 0.00 56.93 57.06 3kg8 s PHE 1003Cb 0.14 -2.10 -0.19 0.00 0.00 0.00 0.00 43.02 40.86 3kg8 s PHE 1003CO 0.49 0.41 1.20 0.00 -0.00 0.00 0.00 175.22 177.32 3kg8 h ALA 1004N 2.91 0.17 -2.90 5.36 0.00 -1.89 -3.44 119.26 119.47 3kg8 h ALA 1004Ca -0.47 -0.52 -0.53 0.00 0.00 0.00 0.00 54.91 53.40 3kg8 h ALA 1004Cb 1.17 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.04 3kg8 h ALA 1004CO 0.71 0.37 0.68 0.00 0.00 0.00 0.00 179.25 181.01 3kg8 s ALA 1005N -3.57 3.51 0.05 0.00 0.00 -1.26 -4.96 121.76 115.54 3kg8 s ALA 1005Ca -0.13 1.36 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 3kg8 s ALA 1005Cb 0.05 -3.52 -0.30 0.00 0.00 0.00 0.00 23.12 19.35 3kg8 s ALA 1005CO 0.82 -0.78 1.07 1.79 0.00 0.00 0.00 175.76 178.66 3kg8 h THR 1006N 2.98 1.40 -3.56 0.00 1.35 -1.90 -3.46 112.91 109.74 3kg8 h THR 1006Ca -0.50 -2.94 -0.52 0.00 -0.55 0.00 0.00 66.41 61.91 3kg8 h THR 1006Cb 1.23 2.95 -0.03 0.00 -1.73 0.00 0.00 68.15 70.58 3kg8 h THR 1006CO 0.65 0.87 0.23 -1.83 -0.25 0.00 0.00 175.52 175.19 3kg8 s GLU 1007N -2.64 4.63 0.06 4.72 1.03 -1.25 -4.84 118.70 120.42 3kg8 s GLU 1007Ca -0.06 1.24 -0.13 0.00 0.03 0.00 0.00 54.97 56.06 3kg8 s GLU 1007Cb 0.06 -3.30 0.02 0.00 -0.80 0.00 0.00 34.13 30.11 3kg8 s GLU 1007CO 0.90 0.47 0.29 0.00 -1.33 0.00 0.00 175.26 175.59 3kg8 s GLN 1009N -2.91 2.10 -0.14 0.00 -2.07 0.17 -1.07 119.66 115.73 3kg8 s GLN 1009Ca -0.02 -0.98 0.02 0.00 -1.82 0.00 0.00 55.36 52.56 3kg8 s GLN 1009Cb 0.00 -2.22 0.01 0.00 -1.09 0.00 0.00 33.01 29.71 3kg8 s GLN 1009CO -0.06 0.54 -0.21 0.42 -1.32 0.00 0.00 175.29 174.66 3kg8 s ILE 1010N -0.97 1.98 0.14 3.63 1.01 0.75 -1.06 121.20 126.67 3kg8 s ILE 1010Ca 0.16 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.97 3kg8 s ILE 1010Cb -0.11 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3kg8 s ILE 1010CO 0.06 0.53 -0.21 -1.61 0.00 0.00 0.00 174.94 173.72 3kg8 s GLU 1011N 0.88 1.24 -1.46 2.79 2.02 0.47 -0.25 118.70 124.38 3kg8 s GLU 1011Ca -0.06 -1.30 -0.07 0.00 0.02 0.00 0.00 54.97 53.56 3kg8 s GLU 1011Cb -0.15 -1.44 0.05 0.00 0.10 0.00 0.00 34.13 32.68 3kg8 s GLU 1011CO -0.03 0.32 0.71 -0.25 0.02 0.00 0.00 175.26 176.03 3kg8 n ASP 1012N 0.69 -2.23 -4.73 -0.19 8.00 -0.41 -1.66 116.55 116.02 3kg8 n ASP 1012Ca -0.16 -0.89 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 3kg8 n ASP 1012Cb 0.55 -3.51 -0.03 0.00 -0.02 0.00 0.00 41.12 38.11 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 -3.60 3.77 0.19 0.53 1.01 -0.47 -4.26 121.20 118.38 3kg8 s ILE 1013Ca 0.30 1.40 0.07 0.00 0.00 0.00 0.00 60.65 62.42 3kg8 s ILE 1013Cb -0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3kg8 s ILE 1013CO 0.86 0.18 -0.14 -0.76 0.00 0.00 0.00 174.94 175.07 3kg8 s LEU 1014N 0.29 2.54 -0.61 2.97 1.43 -0.25 -2.26 118.68 122.79 3kg8 s LEU 1014Ca 0.55 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3kg8 s LEU 1014Cb -0.31 -0.64 0.16 0.00 0.03 0.00 0.00 46.19 45.43 3kg8 s LEU 1014CO 0.33 -0.17 0.42 -0.36 0.23 0.00 0.00 176.35 176.80 3kg8 s PHE 1015N -2.89 2.93 0.41 0.29 0.40 -1.25 -1.46 117.98 116.42 3kg8 s PHE 1015Ca 0.20 -3.05 0.13 0.00 -0.60 0.00 0.00 56.93 53.61 3kg8 s PHE 1015Cb -0.01 -2.32 0.87 0.00 0.51 0.00 0.00 43.02 42.07 3kg8 s PHE 1015CO 0.06 -0.64 1.92 -1.35 0.70 0.00 0.00 175.22 175.91 3kg8 h PRO 1016N 5.69 0.05 -2.41 0.24 0.11 -1.73 -3.44 132.00 130.50 3kg8 h PRO 1016Ca 0.13 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 3kg8 h PRO 1016Cb 0.81 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 31.68 3kg8 h PRO 1016CO 0.63 0.28 -0.13 -1.14 -0.21 0.00 0.00 178.00 177.43 3kg8 s GLN 1017N -4.52 0.57 0.42 1.05 0.74 -1.11 -5.02 119.66 111.79 3kg8 s GLN 1017Ca -0.04 0.87 -0.22 0.00 0.05 0.00 0.00 55.36 56.02 3kg8 s GLN 1017Cb 0.15 0.16 -0.10 0.00 1.10 0.00 0.00 33.01 34.32 3kg8 s GLN 1017CO 0.71 -0.12 0.99 0.00 -0.55 0.00 0.00 175.29 176.32 3kg8 s ALA 1018N 0.95 3.03 -0.31 1.58 0.00 -1.26 -4.23 121.76 121.52 3kg8 s ALA 1018Ca -0.05 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 3kg8 s ALA 1018Cb -0.06 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3kg8 s ALA 1018CO -0.08 -0.04 0.21 -1.17 0.00 0.00 0.00 175.76 174.68 3kg8 s LEU 1019N -3.00 4.28 -0.12 0.00 2.96 -1.26 -5.02 118.68 116.52 3kg8 s LEU 1019Ca 0.61 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3kg8 s LEU 1019Cb -0.15 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3kg8 s LEU 1019CO 0.19 -0.16 -0.16 0.00 -1.32 0.00 0.00 176.35 174.90 3kg8 s ALA 1020N 1.72 2.50 -0.28 5.97 0.00 -1.26 -1.03 121.76 129.39 3kg8 s ALA 1020Ca 0.06 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3kg8 s ALA 1020Cb -0.17 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 3kg8 s ALA 1020CO 0.10 0.26 0.07 0.42 0.00 0.00 0.00 175.76 176.61 3kg8 s ILE 1021N 0.35 4.08 0.66 0.00 1.01 -0.09 -5.01 121.20 122.21 3kg8 s ILE 1021Ca -0.13 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 3kg8 s ILE 1021Cb -0.16 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3kg8 s ILE 1021CO 0.07 0.19 1.09 -0.81 0.00 0.00 0.00 174.94 175.47 3kg8 n PRO 1022N 4.89 0.81 -1.64 2.79 -0.04 -1.26 -4.11 135.00 136.44 3kg8 n PRO 1022Ca -0.15 0.33 -0.61 0.00 -0.04 0.00 0.00 63.50 63.03 3kg8 n PRO 1022Cb 0.49 -2.32 -0.08 0.00 -0.04 0.00 0.00 33.50 31.55 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 -1.68 0.40 -1.23 0.54 1.02 -1.26 -1.17 120.64 117.25 3kg8 n GLU 1023Ca 0.14 0.15 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3kg8 n GLU 1023Cb 0.48 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3kg8 n GLU 1023CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kg8 n GLN 1024N 3.22 -1.65 -3.07 3.49 6.02 -1.26 -4.93 117.38 119.19 3kg8 n GLN 1024Ca 0.25 0.79 -0.20 0.00 -0.01 0.00 0.00 57.00 57.82 3kg8 n GLN 1024Cb 0.06 -5.07 0.06 0.00 1.02 0.00 0.00 30.24 26.31 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 -2.17 1.76 -0.09 1.08 0.00 -0.32 -5.04 107.32 102.54 3kg8 s GLY 1025Ca 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 44.72 42.51 3kg8 s GLY 1025CO 0.00 -1.69 0.28 0.54 0.00 0.00 0.00 173.10 172.23 3kg8 s VAL 1026N -2.67 0.02 0.03 1.40 0.11 -1.26 -4.48 120.40 113.55 3kg8 s VAL 1026Ca 0.61 -0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.59 3kg8 s VAL 1026Cb -0.06 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3kg8 s VAL 1026CO 0.38 -0.07 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.75 3kg8 s ARG 1027N -0.21 1.40 0.01 1.54 0.52 -0.76 -4.55 118.95 116.90 3kg8 s ARG 1027Ca -0.03 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 3kg8 s ARG 1027Cb -0.03 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 3kg8 s ARG 1027CO 0.01 0.38 0.95 0.99 0.02 0.00 0.00 175.30 177.65 3kg8 s THR 1028N -0.73 4.82 -0.13 0.02 2.01 -0.28 -0.51 115.64 120.84 3kg8 s THR 1028Ca 0.07 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.11 3kg8 s THR 1028Cb -0.08 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.14 3kg8 s THR 1028CO 0.01 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.23 3kg8 s VAL 1029N 0.80 2.11 -0.04 3.82 1.01 0.12 -1.32 120.40 126.89 3kg8 s VAL 1029Ca 0.50 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3kg8 s VAL 1029Cb -0.21 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3kg8 s VAL 1029CO 0.27 0.55 -0.21 -1.10 0.00 0.00 0.00 175.10 174.61 3kg8 s GLN 1030N 0.65 2.36 -0.20 2.72 -0.21 -0.04 -1.41 119.66 123.53 3kg8 s GLN 1030Ca -0.11 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.29 3kg8 s GLN 1030Cb -0.16 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 3kg8 s GLN 1030CO 0.02 0.54 0.36 0.08 -2.12 0.00 0.00 175.29 174.17 3kg8 s VAL 1031N -0.55 5.23 -0.26 1.09 1.01 -0.55 -0.55 120.40 125.81 3kg8 s VAL 1031Ca 0.08 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3kg8 s VAL 1031Cb -0.11 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.62 3kg8 s VAL 1031CO 0.00 0.27 -0.05 -0.69 0.00 0.00 0.00 175.10 174.63 3kg8 s VAL 1032N 1.22 2.78 -0.22 2.92 1.01 0.20 -1.16 120.40 127.16 3kg8 s VAL 1032Ca 0.17 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 3kg8 s VAL 1032Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3kg8 s VAL 1032CO 0.07 0.08 0.10 -0.76 0.00 0.00 0.00 175.10 174.59 3kg8 s LEU 1033N 1.27 3.81 -0.20 3.92 1.43 0.51 -1.78 118.68 127.64 3kg8 s LEU 1033Ca -0.03 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3kg8 s LEU 1033Cb -0.18 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3kg8 s LEU 1033CO -0.04 0.08 -0.02 -0.89 0.23 0.00 0.00 176.35 175.72 3kg8 s THR 1034N 0.93 3.78 0.28 5.49 2.01 0.29 -0.72 115.64 127.70 3kg8 s THR 1034Ca 0.05 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 3kg8 s THR 1034Cb -0.14 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.57 3kg8 s THR 1034CO 0.03 0.44 1.44 -2.84 -0.69 0.00 0.00 174.62 172.99 3kg8 s PRO 1035N 1.01 4.25 0.00 4.92 0.02 -1.26 -0.87 135.00 143.08 3kg8 s PRO 1035Ca 0.01 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3kg8 s PRO 1035Cb -0.14 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3kg8 s PRO 1035CO 0.01 -0.41 0.00 1.04 -0.33 0.00 0.00 177.00 177.31 3kg8 n GLN 1036N 1.87 2.38 -2.32 5.54 1.13 0.96 -4.82 117.38 122.12 3kg8 n GLN 1036Ca 0.05 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.68 3kg8 n GLN 1036Cb 0.40 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.73 3kg8 n GLN 1036CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3kg8 s ASN 1037N 0.48 6.54 -1.55 1.08 2.47 -1.26 -3.96 114.94 118.75 3kg8 s ASN 1037Ca 0.00 1.28 -0.09 0.00 0.42 0.00 0.00 52.86 54.47 3kg8 s ASN 1037Cb 0.00 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.34 3kg8 s ASN 1037CO 0.00 -1.18 0.58 0.59 -3.72 0.00 0.00 177.10 173.38 3kg8 n ASN 1038N 8.02 -1.76 0.00 -4.21 3.02 -1.26 -4.87 115.26 114.20 3kg8 n ASN 1038Ca 0.16 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 3kg8 n ASN 1038Cb 0.46 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 3kg8 n ASN 1038CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kg8 n SER 1039N -2.83 0.00 -4.19 6.41 3.41 -1.25 -4.68 113.62 110.49 3kg8 n SER 1039Ca -0.13 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.22 3kg8 n SER 1039Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 3kg8 n SER 1039CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kg8 s PHE 1040N -2.00 1.70 0.33 7.33 0.08 0.20 -0.03 117.98 125.59 3kg8 s PHE 1040Ca 0.00 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 3kg8 s PHE 1040Cb 0.00 -1.10 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 3kg8 s PHE 1040CO 0.00 -0.04 0.75 -1.54 -0.10 0.00 0.00 175.22 174.29 3kg8 s SER 1041N -0.42 6.78 0.12 1.36 1.04 -0.05 0.25 113.70 122.79 3kg8 s SER 1041Ca 0.07 1.30 0.04 0.00 0.48 0.00 0.00 55.95 57.83 3kg8 s SER 1041Cb -0.08 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 3kg8 s SER 1041CO -0.01 -0.21 -0.10 0.72 0.98 0.00 0.00 173.24 174.63 3kg8 s PHE 1042N -1.99 1.13 -0.04 5.02 -0.12 0.55 -0.55 117.98 121.98 3kg8 s PHE 1042Ca 0.55 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 3kg8 s PHE 1042Cb -0.10 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 3kg8 s PHE 1042CO 0.17 0.01 -0.01 -0.65 -0.05 0.00 0.00 175.22 174.69 3kg8 s GLN 1043N -3.45 0.50 -0.30 1.99 -0.21 -0.73 -2.85 119.66 114.62 3kg8 s GLN 1043Ca 0.12 0.02 -0.12 0.00 0.02 0.00 0.00 55.36 55.40 3kg8 s GLN 1043Cb 0.01 -0.64 -0.04 0.00 1.00 0.00 0.00 33.01 33.34 3kg8 s GLN 1043CO -0.01 -0.13 0.22 0.08 -2.12 0.00 0.00 175.29 173.33 3kg8 s VAL 1044N 1.05 5.29 0.31 1.09 1.01 -0.15 -0.63 120.40 128.38 3kg8 s VAL 1044Ca -0.09 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3kg8 s VAL 1044Cb -0.14 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 3kg8 s VAL 1044CO -0.01 0.17 -0.06 0.27 0.00 0.00 0.00 175.10 175.47 3kg8 s ILE 1045N 1.77 1.80 0.08 2.22 -4.36 0.28 0.28 121.20 123.27 3kg8 s ILE 1045Ca 0.07 -2.13 -0.06 0.00 -0.26 0.00 0.00 60.65 58.28 3kg8 s ILE 1045Cb -0.16 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 3kg8 s ILE 1045CO 0.11 -0.23 0.11 -0.94 0.24 0.00 0.00 174.94 174.23 3kg8 s SER 1046N -3.51 0.26 -0.05 4.36 1.04 -0.27 -0.86 113.70 114.67 3kg8 s SER 1046Ca 0.31 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 3kg8 s SER 1046Cb 0.04 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3kg8 s SER 1046CO 0.14 -0.69 0.73 0.72 0.98 0.00 0.00 173.24 175.12 3kg8 s PHE 1047N -3.89 -0.60 -0.32 5.02 -0.71 -0.44 -1.31 117.98 115.73 3kg8 s PHE 1047Ca 0.07 0.98 -0.29 0.00 -1.04 0.00 0.00 56.93 56.65 3kg8 s PHE 1047Cb 0.06 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 3kg8 s PHE 1047CO -0.10 -0.58 1.31 0.34 -1.34 0.00 0.00 175.22 174.85 3kg8 s ASP 1048N -1.31 6.63 0.24 1.98 -1.08 -1.26 -1.13 116.67 120.74 3kg8 s ASP 1048Ca -0.08 1.14 0.16 0.00 -0.52 0.00 0.00 52.55 53.24 3kg8 s ASP 1048Cb -0.00 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 3kg8 s ASP 1048CO 0.07 -1.13 1.31 -0.78 0.52 0.00 0.00 175.17 175.16 3kg8 h ASP 1049N 9.47 0.00 -3.59 -0.34 3.58 -1.94 -3.44 116.42 120.17 3kg8 h ASP 1049Ca -0.26 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.61 3kg8 h ASP 1049Cb 1.10 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.06 3kg8 h ASP 1049CO 1.04 0.49 0.72 -0.44 -2.88 0.00 0.00 179.24 178.18 3kg8 s SER 1050N -6.29 6.64 0.00 2.28 0.01 -1.26 -5.12 113.70 109.96 3kg8 s SER 1050Ca 0.03 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.75 3kg8 s SER 1050Cb 0.08 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3kg8 s SER 1050CO 0.76 -1.04 0.00 -0.11 0.41 0.00 0.00 173.24 173.26 3kg8 n LEU 1051N 7.23 0.00 0.00 2.44 -0.00 -1.26 -5.20 117.00 120.21 3kg8 n LEU 1051Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 3kg8 n LEU 1051Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 3kg8 n LEU 1051CO 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 178.03 3kg8 n HIS 1064N 0.00 0.00 -3.94 1.96 1.44 -1.26 -5.28 115.22 108.14 3kg8 n HIS 1064Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 3kg8 n HIS 1064Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 3kg8 n HIS 1064CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3kg8 s ILE 1065N 0.00 2.78 -0.19 0.61 -1.09 -1.26 -4.97 121.20 117.08 3kg8 s ILE 1065Ca 0.00 -1.50 0.16 0.00 -2.23 0.00 0.00 60.65 57.08 3kg8 s ILE 1065Cb 0.00 -2.63 -0.23 0.00 -1.58 0.00 0.00 42.46 38.01 3kg8 s ILE 1065CO 0.00 -0.13 0.05 -1.54 -1.23 0.00 0.00 174.94 172.09 3kg8 n SER 1066N 4.56 0.34 -4.28 3.58 3.41 -1.26 -4.94 113.62 115.04 3kg8 n SER 1066Ca -0.12 -0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 3kg8 n SER 1066Cb 0.43 0.89 -0.15 0.00 -0.26 0.00 0.00 64.21 65.12 3kg8 n SER 1066CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kg8 s ASP 1067N -5.45 3.63 0.11 4.04 1.11 -1.26 -5.10 116.67 113.75 3kg8 s ASP 1067Ca -0.11 -0.45 -0.25 0.00 0.18 0.00 0.00 52.55 51.92 3kg8 s ASP 1067Cb 0.06 -1.54 0.08 0.00 1.07 0.00 0.00 42.92 42.58 3kg8 s ASP 1067CO 0.78 0.12 0.71 -1.66 1.18 0.00 0.00 175.17 176.30 3kg8 s TRP 1068N 0.61 -0.45 0.09 4.23 1.48 -1.26 -4.65 118.94 119.00 3kg8 s TRP 1068Ca -0.09 0.25 0.05 0.00 -1.06 0.00 0.00 56.10 55.25 3kg8 s TRP 1068Cb -0.16 0.56 -0.03 0.00 -1.16 0.00 0.00 33.47 32.68 3kg8 s TRP 1068CO 0.03 -0.76 -0.12 0.00 -4.06 0.00 0.00 176.95 172.04 3kg8 s ALA 1069N -3.53 1.22 -0.16 2.67 0.00 -0.43 -4.99 121.76 116.54 3kg8 s ALA 1069Ca 0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 3kg8 s ALA 1069Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3kg8 s ALA 1069CO -0.11 0.07 -0.03 0.08 0.00 0.00 0.00 175.76 175.78 3kg8 s VAL 1070N -1.92 3.93 -0.04 0.00 1.01 -1.26 -1.12 120.40 121.00 3kg8 s VAL 1070Ca 0.03 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.79 3kg8 s VAL 1070Cb -0.06 -2.73 -0.17 0.00 0.00 0.00 0.00 36.38 33.41 3kg8 s VAL 1070CO 0.02 0.48 0.20 1.41 0.00 0.00 0.00 175.10 177.20 3kg8 n HIS 1071N 3.65 0.00 -3.64 5.22 8.25 0.14 -2.75 115.22 126.09 3kg8 n HIS 1071Ca -0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 3kg8 n HIS 1071Cb 0.52 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.66 -1.51 0.06 -1.41 0.00 -1.19 -3.63 121.76 111.41 3kg8 s ALA 1072Ca -0.05 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3kg8 s ALA 1072Cb 0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3kg8 s ALA 1072CO 0.48 -0.30 -0.05 0.95 0.00 0.00 0.00 175.76 176.84 3kg8 s THR 1073N -0.13 0.38 -4.94 0.00 -4.23 -0.53 -0.98 115.64 105.21 3kg8 s THR 1073Ca -0.03 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3kg8 s THR 1073Cb -0.03 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.59 3kg8 s THR 1073CO 0.03 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 3kg8 n GLY 1074N 0.52 -0.49 3.19 3.99 0.00 -1.13 -1.09 105.19 110.17 3kg8 n GLY 1074Ca -0.16 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 3kg8 n GLY 1074CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kg8 s LYS 1075N -1.98 1.19 -0.05 1.61 2.20 -0.67 -0.33 119.74 121.72 3kg8 s LYS 1075Ca 0.00 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 3kg8 s LYS 1075Cb 0.00 -1.24 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 3kg8 s LYS 1075CO 0.00 0.32 -0.11 -1.17 -0.36 0.00 0.00 175.35 174.03 3kg8 s LEU 1076N -1.04 1.69 0.27 5.43 0.20 0.14 -0.40 118.68 124.97 3kg8 s LEU 1076Ca 0.05 -0.24 -0.21 0.00 0.69 0.00 0.00 54.13 54.41 3kg8 s LEU 1076Cb -0.08 -0.70 0.03 0.00 -0.43 0.00 0.00 46.19 45.01 3kg8 s LEU 1076CO 0.01 0.05 0.78 -0.94 -0.29 0.00 0.00 176.35 175.96 3kg8 s SER 1077N 0.45 -0.21 0.16 3.68 1.04 -0.22 -0.63 113.70 117.96 3kg8 s SER 1077Ca -0.09 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 3kg8 s SER 1077Cb -0.13 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 3kg8 s SER 1077CO 0.02 -1.30 1.19 -0.69 0.98 0.00 0.00 173.24 173.45 3kg8 s VAL 1078N -3.61 3.67 0.34 5.02 1.01 -1.26 0.44 120.40 126.01 3kg8 s VAL 1078Ca 0.12 1.36 0.07 0.00 0.00 0.00 0.00 61.98 63.53 3kg8 s VAL 1078Cb -0.05 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3kg8 s VAL 1078CO 0.07 0.20 0.43 0.00 0.00 0.00 0.00 175.10 175.79 3kg8 s ALA 1079N 0.14 4.15 0.47 5.51 0.00 -1.03 -4.63 121.76 126.37 3kg8 s ALA 1079Ca 0.54 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 3kg8 s ALA 1079Cb -0.32 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3kg8 s ALA 1079CO 0.35 -0.05 0.79 -0.80 0.00 0.00 0.00 175.76 176.06 3kg8 s ASN 1080N -4.14 6.32 0.48 0.00 0.01 -1.26 -4.71 114.94 111.64 3kg8 s ASN 1080Ca 0.45 1.00 -0.21 0.00 -0.71 0.00 0.00 52.86 53.39 3kg8 s ASN 1080Cb -0.08 -2.28 -0.08 0.00 0.41 0.00 0.00 41.25 39.22 3kg8 s ASN 1080CO 0.30 -0.55 1.05 0.00 -1.51 0.00 0.00 177.10 176.39 3kg8 s ALA 1081N -2.67 2.89 -0.29 0.60 0.00 -1.26 -4.98 121.76 116.05 3kg8 s ALA 1081Ca 0.49 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 3kg8 s ALA 1081Cb -0.10 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.85 3kg8 s ALA 1081CO 0.42 -0.33 0.14 -1.21 0.00 0.00 0.00 175.76 174.78 3kg8 s GLU 1082N -3.13 0.19 0.01 0.00 2.02 -1.26 -5.23 118.70 111.31 3kg8 s GLU 1082Ca 0.66 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.86 3kg8 s GLU 1082Cb -0.18 -1.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 3kg8 s GLU 1082CO 0.21 -1.01 1.34 -0.65 0.02 0.00 0.00 175.26 175.17 3kg8 s GLN 1083N 2.12 4.32 -0.03 1.61 -0.21 -1.26 -4.73 119.66 121.47 3kg8 s GLN 1083Ca 0.09 1.90 0.01 0.00 0.02 0.00 0.00 55.36 57.37 3kg8 s GLN 1083Cb -0.16 -3.50 0.02 0.00 1.00 0.00 0.00 33.01 30.37 3kg8 s GLN 1083CO -0.36 -0.50 -0.01 -2.14 -2.12 0.00 0.00 175.29 170.17 3kg8 s PRO 1087N 2.04 0.33 0.02 2.91 0.02 -1.26 -4.89 135.00 134.17 3kg8 s PRO 1087Ca 0.62 0.04 -0.18 0.00 0.02 0.00 0.00 61.00 61.50 3kg8 s PRO 1087Cb -0.31 -0.48 -0.26 0.00 0.02 0.00 0.00 34.50 33.47 3kg8 s PRO 1087CO 0.26 -0.11 1.08 1.25 -0.33 0.00 0.00 177.00 179.15 3kg8 h LEU 1088N 7.13 0.65 -1.10 -5.54 5.85 -1.96 -3.11 115.31 117.23 3kg8 h LEU 1088Ca -0.41 -0.80 0.10 0.00 0.84 0.00 0.00 57.88 57.60 3kg8 h LEU 1088Cb 1.14 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 3kg8 h LEU 1088CO 0.48 1.38 0.61 1.05 -0.34 0.00 0.00 178.44 181.62 3kg8 h GLU 1089N -0.00 0.95 -0.43 1.25 9.09 -2.00 -1.09 114.58 122.35 3kg8 h GLU 1089Ca -0.12 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.12 3kg8 h GLU 1089Cb 1.55 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 3kg8 h GLU 1089CO 0.16 0.63 -0.18 0.93 0.05 0.00 0.00 179.01 180.61 3kg8 h GLU 1090N 0.98 0.89 -0.27 1.06 4.39 -2.01 -2.78 114.58 116.85 3kg8 h GLU 1090Ca 0.44 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kg8 h GLU 1090Cb 0.38 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3kg8 h GLU 1090CO -0.20 1.02 0.16 0.82 -1.16 0.00 0.00 179.01 179.65 3kg8 h ILE 1091N 0.71 1.10 -0.17 3.13 2.04 -1.33 -2.18 117.51 120.81 3kg8 h ILE 1091Ca 0.10 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kg8 h ILE 1091Cb 0.74 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3kg8 h ILE 1091CO 0.06 0.10 0.12 1.56 0.00 0.00 0.00 178.15 179.99 3kg8 h GLN 1092N 0.34 0.01 -0.11 2.37 4.20 -1.18 -0.08 115.11 120.67 3kg8 h GLN 1092Ca 0.10 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3kg8 h GLN 1092Cb 0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kg8 h GLN 1092CO -0.02 0.01 -0.20 0.00 -0.67 0.00 0.00 178.83 177.96 3kg8 h ALA 1093N 1.91 0.17 -0.72 3.87 0.00 -1.18 -3.33 119.26 119.99 3kg8 h ALA 1093Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3kg8 h ALA 1093Cb 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kg8 h ALA 1093CO -0.00 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.63 3kg8 h ARG 1094N -0.11 1.08 -4.99 0.00 3.08 -0.63 -3.39 114.38 109.43 3kg8 h ARG 1094Ca 0.01 -0.20 -0.68 0.00 0.07 0.00 0.00 59.98 59.17 3kg8 h ARG 1094Cb 0.78 -0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.48 3kg8 h ARG 1094CO 0.04 0.90 0.19 0.00 -1.07 0.00 0.00 179.97 180.03 3kg8 n SER 1096N 6.56 4.41 -4.55 0.00 3.41 -1.02 -4.77 113.62 117.66 3kg8 n SER 1096Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 3kg8 n SER 1096Cb 0.44 0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 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 -1.78 3.25 0.17 4.33 0.74 -0.73 -4.86 119.66 120.77 3kg8 s GLN 1097Ca 0.00 -0.38 -0.31 0.00 0.05 0.00 0.00 55.36 54.72 3kg8 s GLN 1097Cb 0.00 -4.36 -0.09 0.00 1.10 0.00 0.00 33.01 29.65 3kg8 s GLN 1097CO 0.00 -2.16 1.46 0.21 -0.55 0.00 0.00 175.29 174.25 3kg8 s LYS 1098N 5.61 4.27 0.17 1.67 2.20 -1.26 0.20 119.74 132.60 3kg8 s LYS 1098Ca 0.37 2.23 0.06 0.00 -0.36 0.00 0.00 55.97 58.27 3kg8 s LYS 1098Cb -0.07 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3kg8 s LYS 1098CO 0.11 -0.48 -0.13 0.96 -0.36 0.00 0.00 175.35 175.45 3kg8 s ILE 1099N 0.81 1.48 0.04 5.43 -4.36 0.11 -4.92 121.20 119.79 3kg8 s ILE 1099Ca 0.65 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 3kg8 s ILE 1099Cb -0.40 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.38 3kg8 s ILE 1099CO 0.34 -0.59 1.30 -0.62 0.24 0.00 0.00 174.94 175.60 3kg8 s ASP 1100N -3.06 6.96 0.55 4.36 -1.08 -1.26 -3.67 116.67 119.46 3kg8 s ASP 1100Ca 0.18 2.08 0.22 0.00 -0.52 0.00 0.00 52.55 54.51 3kg8 s ASP 1100Cb -0.01 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.36 3kg8 s ASP 1100CO 0.04 -0.60 2.15 0.77 0.52 0.00 0.00 175.17 178.05 3kg8 h SER 1101N 7.20 0.00 -0.77 -0.34 4.64 -1.92 -1.44 113.55 120.92 3kg8 h SER 1101Ca -0.39 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.13 3kg8 h SER 1101Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3kg8 h SER 1101CO 0.86 0.00 0.54 0.00 -0.87 0.00 0.00 176.83 177.36 3kg8 h ALA 1102N 1.93 2.50 -0.78 5.18 0.00 -1.93 -0.35 119.26 125.81 3kg8 h ALA 1102Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kg8 h ALA 1102Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3kg8 h ALA 1102CO -0.00 -0.72 0.48 0.93 0.00 0.00 0.00 179.25 179.94 3kg8 h GLU 1103N 0.15 1.05 -0.05 0.00 5.08 -1.65 0.21 114.58 119.37 3kg8 h GLU 1103Ca 0.38 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3kg8 h GLU 1103Cb 1.26 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kg8 h GLU 1103CO -0.06 0.73 -0.01 0.82 -1.00 0.00 0.00 179.01 179.49 3kg8 h ILE 1104N 1.07 1.28 -0.22 3.13 2.04 -1.23 -0.96 117.51 122.62 3kg8 h ILE 1104Ca 0.28 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 3kg8 h ILE 1104Cb -0.06 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3kg8 h ILE 1104CO -0.05 0.24 -0.34 1.88 0.00 0.00 0.00 178.15 179.87 3kg8 h TYR 1105N -0.23 0.55 -0.31 1.37 0.05 -1.33 -2.51 116.97 114.56 3kg8 h TYR 1105Ca 0.01 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 3kg8 h TYR 1105Cb 0.39 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3kg8 h TYR 1105CO 0.05 0.76 0.07 0.37 -1.05 0.00 0.00 178.16 178.35 3kg8 h GLN 1106N 0.40 0.51 -0.59 4.88 5.75 -0.59 0.19 115.11 125.66 3kg8 h GLN 1106Ca 0.05 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.51 3kg8 h GLN 1106Cb 0.79 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.21 3kg8 h GLN 1106CO 0.06 0.58 0.22 1.25 -2.65 0.00 0.00 178.83 178.30 3kg8 h HIS 1107N 0.34 0.39 -0.18 3.99 2.76 -0.92 -0.38 115.15 121.16 3kg8 h HIS 1107Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3kg8 h HIS 1107Cb 0.31 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3kg8 h HIS 1107CO 0.02 0.11 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.56 3kg8 h LEU 1108N 0.41 0.42 -0.62 0.26 3.38 -1.29 -3.19 115.31 114.68 3kg8 h LEU 1108Ca 0.29 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3kg8 h LEU 1108Cb 0.35 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3kg8 h LEU 1108CO -0.29 0.77 0.21 -0.25 0.09 0.00 0.00 178.44 178.96 3kg8 h TRP 1109N 0.07 0.35 0.00 1.13 2.91 -0.19 -1.00 115.95 119.22 3kg8 h TRP 1109Ca 0.04 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 3kg8 h TRP 1109Cb 0.63 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.21 3kg8 h TRP 1109CO 0.07 0.06 -0.05 -0.44 -1.03 0.00 0.00 178.44 177.05 3kg8 h ASP 1110N 0.37 0.00 -0.32 2.65 3.32 -1.08 -0.41 116.42 120.96 3kg8 h ASP 1110Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kg8 h ASP 1110Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kg8 h ASP 1110CO -0.34 0.05 0.00 0.54 -1.72 0.00 0.00 179.24 177.77 3kg8 n ARG 1111N -3.55 1.97 -1.46 3.56 3.00 -0.47 -4.94 116.66 114.77 3kg8 n ARG 1111Ca -0.02 -1.48 -0.03 0.00 -0.01 0.00 0.00 57.85 56.31 3kg8 n ARG 1111Cb 0.16 -1.39 -0.01 0.00 0.00 0.00 0.00 32.46 31.23 3kg8 n ARG 1111CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3kg8 n GLN 1112N 0.70 -0.19 -3.40 5.56 1.13 -0.16 -4.73 117.38 116.28 3kg8 n GLN 1112Ca 0.16 0.41 -0.45 0.00 -1.94 0.00 0.00 57.00 55.18 3kg8 n GLN 1112Cb 0.39 -4.03 -0.04 0.00 0.11 0.00 0.00 30.24 26.66 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 -2.11 5.14 -0.66 5.09 1.01 -0.66 -1.39 121.20 127.63 3kg8 s ILE 1113Ca 0.00 -2.29 -0.21 0.00 0.00 0.00 0.00 60.65 58.15 3kg8 s ILE 1113Cb 0.00 -4.23 0.09 0.00 0.01 0.00 0.00 42.46 38.33 3kg8 s ILE 1113CO 0.00 -0.95 0.87 -1.00 0.00 0.00 0.00 174.94 173.86 3kg8 s HIS 1114N 0.51 2.86 -0.22 3.97 3.76 0.97 -3.14 115.29 124.01 3kg8 s HIS 1114Ca 0.14 -0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 54.00 3kg8 s HIS 1114Cb -0.17 -4.18 -0.01 0.00 1.11 0.00 0.00 32.58 29.33 3kg8 s HIS 1114CO -0.05 -1.48 0.75 -0.51 -0.85 0.00 0.00 174.74 172.60 3kg8 s LEU 1115N 3.32 4.11 0.00 0.89 1.43 -1.26 -2.28 118.68 124.90 3kg8 s LEU 1115Ca 0.19 0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.15 3kg8 s LEU 1115Cb -0.19 -3.08 0.14 0.00 0.03 0.00 0.00 46.19 43.09 3kg8 s LEU 1115CO 0.06 -0.42 0.83 0.61 0.23 0.00 0.00 176.35 177.67 3kg8 n GLY 1116N 3.77 -1.31 0.25 -3.19 0.00 0.14 -4.93 105.19 99.91 3kg8 n GLY 1116Ca 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.35 3kg8 n GLY 1116CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kg8 h GLN 1117N 0.00 0.45 0.00 1.61 4.15 -1.97 -2.47 115.11 116.88 3kg8 h GLN 1117Ca -0.27 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3kg8 h GLN 1117Cb 0.74 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3kg8 h GLN 1117CO 0.19 0.29 0.00 0.66 -1.93 0.00 0.00 178.83 178.05 3kg8 h SER 1118N 0.46 0.00 -0.47 -0.69 4.64 -1.92 -1.73 113.55 113.83 3kg8 h SER 1118Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3kg8 h SER 1118Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kg8 h SER 1118CO -0.31 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.14 3kg8 n PHE 1119N -2.43 0.65 -3.55 4.77 3.72 -0.93 -4.69 117.46 115.00 3kg8 n PHE 1119Ca 0.03 -0.32 -0.33 0.00 -0.05 0.00 0.00 57.45 56.78 3kg8 n PHE 1119Cb 0.30 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.76 3kg8 n PHE 1119CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kg8 n ARG 1120N 0.88 2.69 0.10 -1.08 1.74 -0.65 -4.73 116.66 115.60 3kg8 n ARG 1120Ca 0.16 -4.55 -0.18 0.00 -0.77 0.00 0.00 57.85 52.51 3kg8 n ARG 1120Cb 0.41 -2.35 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 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 5.25 0.57 -2.37 -1.55 4.06 -1.83 -3.43 115.95 116.64 3kg8 h TRP 1121Ca 0.18 -0.41 -0.55 0.00 2.06 0.00 0.00 58.89 60.17 3kg8 h TRP 1121Cb 0.73 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.87 3kg8 h TRP 1121CO 0.75 1.37 1.25 0.42 -3.56 0.00 0.00 178.44 178.68 3kg8 s ILE 1122N -2.63 3.17 -0.20 1.49 1.01 -1.26 -1.05 121.20 121.73 3kg8 s ILE 1122Ca -0.07 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.85 3kg8 s ILE 1122Cb 0.06 -3.15 -0.17 0.00 0.01 0.00 0.00 42.46 39.22 3kg8 s ILE 1122CO 0.88 -0.04 -0.09 -0.62 0.00 0.00 0.00 174.94 175.07 3kg8 n GLU 1123N 7.73 0.82 -3.86 2.79 -0.58 0.64 -4.93 120.64 123.26 3kg8 n GLU 1123Ca 0.21 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.91 3kg8 n GLU 1123Cb 0.42 -1.44 -0.11 0.00 -0.57 0.00 0.00 31.44 29.75 3kg8 n GLU 1123CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kg8 s GLN 1124N -2.42 0.40 -0.02 3.49 -0.21 -1.21 -4.62 119.66 115.06 3kg8 s GLN 1124Ca -0.21 -0.24 0.01 0.00 0.02 0.00 0.00 55.36 54.94 3kg8 s GLN 1124Cb 0.07 0.17 0.01 0.00 1.00 0.00 0.00 33.01 34.26 3kg8 s GLN 1124CO 0.58 -0.09 -0.03 0.08 -2.12 0.00 0.00 175.29 173.71 3kg8 s VAL 1125N -0.99 0.37 -0.14 1.09 1.01 -1.24 -1.29 120.40 119.21 3kg8 s VAL 1125Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3kg8 s VAL 1125Cb -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3kg8 s VAL 1125CO 0.01 0.16 -0.13 0.26 0.00 0.00 0.00 175.10 175.40 3kg8 s TRP 1126N 0.55 2.06 0.22 5.22 0.51 -0.21 -0.71 118.94 126.58 3kg8 s TRP 1126Ca -0.06 -1.15 -0.21 0.00 -2.12 0.00 0.00 56.10 52.56 3kg8 s TRP 1126Cb -0.10 -1.53 -0.08 0.00 -0.81 0.00 0.00 33.47 30.95 3kg8 s TRP 1126CO -0.00 -0.65 0.75 -0.51 -0.51 0.00 0.00 176.95 176.03 3kg8 s LEU 1127N 1.52 4.39 0.00 2.99 1.43 0.13 -0.83 118.68 128.31 3kg8 s LEU 1127Ca 0.05 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3kg8 s LEU 1127Cb -0.13 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3kg8 s LEU 1127CO -0.10 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3kg8 n GLY 1128N 0.87 4.59 3.50 -3.19 0.00 0.01 -1.78 105.19 109.20 3kg8 n GLY 1128Ca -0.03 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3kg8 n GLY 1128CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kg8 s GLU 1129N 4.33 3.20 -1.09 1.61 2.56 -1.26 -4.38 118.70 123.67 3kg8 s GLU 1129Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 54.36 3kg8 s GLU 1129Cb 0.00 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 32.19 3kg8 s GLU 1129CO 0.00 -0.85 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 3kg8 n GLY 1130N 5.06 -0.22 3.24 -1.50 0.00 -1.26 -4.92 105.19 105.59 3kg8 n GLY 1130Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.70 0.77 -0.02 1.61 -1.05 -1.26 -2.57 118.70 111.48 3kg8 s GLU 1131Ca 0.00 -0.44 -0.03 0.00 -0.15 0.00 0.00 54.97 54.35 3kg8 s GLU 1131Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3kg8 s GLU 1131CO 0.00 -0.24 0.07 0.54 0.95 0.00 0.00 175.26 176.58 3kg8 s VAL 1132N -2.27 0.02 -0.17 1.83 0.11 0.35 -0.81 120.40 119.45 3kg8 s VAL 1132Ca -0.07 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3kg8 s VAL 1132Cb -0.02 -0.15 -0.00 0.00 -1.53 0.00 0.00 36.38 34.68 3kg8 s VAL 1132CO -0.02 -0.07 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.35 3kg8 s LEU 1133N -0.20 2.65 -0.09 2.54 2.96 -0.01 -1.58 118.68 124.94 3kg8 s LEU 1133Ca -0.03 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3kg8 s LEU 1133Cb -0.02 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3kg8 s LEU 1133CO 0.00 0.06 -0.14 0.00 -1.32 0.00 0.00 176.35 174.95 3kg8 s GLN 1135N -0.24 4.18 0.17 0.00 0.74 -0.41 -0.87 119.66 123.22 3kg8 s GLN 1135Ca 0.01 0.18 0.07 0.00 0.05 0.00 0.00 55.36 55.67 3kg8 s GLN 1135Cb -0.13 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 3kg8 s GLN 1135CO 0.03 -0.00 -0.02 -1.64 -0.55 0.00 0.00 175.29 173.11 3kg8 s MET 1136N 1.20 2.36 -0.09 1.67 -1.94 0.35 -0.26 119.30 122.59 3kg8 s MET 1136Ca 0.18 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.01 3kg8 s MET 1136Cb -0.15 -2.35 0.04 0.00 2.01 0.00 0.00 34.83 34.39 3kg8 s MET 1136CO 0.07 0.46 0.22 0.21 -0.01 0.00 0.00 175.02 175.97 3kg8 s LYS 1137N -2.85 0.20 -0.13 2.03 2.36 -0.22 -1.52 119.74 119.61 3kg8 s LYS 1137Ca 0.27 0.43 -0.35 0.00 -2.55 0.00 0.00 55.97 53.77 3kg8 s LYS 1137Cb -0.09 -0.06 -0.12 0.00 -1.05 0.00 0.00 37.83 36.50 3kg8 s LYS 1137CO 0.18 -0.12 1.90 1.55 1.55 0.00 0.00 175.35 180.40 3kg8 n VAL 1138N 3.86 0.53 -1.52 4.02 3.14 -0.74 -4.43 118.33 123.18 3kg8 n VAL 1138Ca -0.22 -0.12 -0.37 0.00 -2.96 0.00 0.00 64.34 60.67 3kg8 n VAL 1138Cb 0.54 -1.81 0.07 0.00 -1.06 0.00 0.00 33.84 31.58 3kg8 n VAL 1138CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3kg8 n PRO 1139N 6.67 0.72 0.23 1.45 -0.02 -1.26 -4.89 135.00 137.90 3kg8 n PRO 1139Ca 0.24 0.29 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 3kg8 n PRO 1139Cb 0.27 -2.17 0.54 0.00 -0.02 0.00 0.00 33.50 32.12 3kg8 n PRO 1139CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kg8 h LYS 1140N 0.16 0.00 0.00 -0.52 1.57 -1.91 -2.97 116.57 112.90 3kg8 h LYS 1140Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3kg8 h LYS 1140Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3kg8 h LYS 1140CO 0.49 0.14 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 3kg8 n THR 1141N -4.34 0.24 -3.49 -0.16 -2.24 -1.26 -4.58 114.28 98.45 3kg8 n THR 1141Ca -0.03 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3kg8 n THR 1141Cb 0.21 -0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.74 3kg8 n THR 1141CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kg8 s ILE 1142N -2.95 4.61 -2.33 2.28 1.01 -1.12 -4.92 121.20 117.78 3kg8 s ILE 1142Ca 0.14 -1.46 0.22 0.00 0.00 0.00 0.00 60.65 59.55 3kg8 s ILE 1142Cb 0.17 -3.89 0.47 0.00 0.01 0.00 0.00 42.46 39.22 3kg8 s ILE 1142CO 0.46 -0.66 1.44 0.18 0.00 0.00 0.00 174.94 176.36 3kg8 n LEU 1143N 5.04 3.22 -0.40 2.97 4.77 -1.26 -4.59 117.00 126.74 3kg8 n LEU 1143Ca -0.11 -1.44 0.04 0.00 -0.03 0.00 0.00 56.01 54.47 3kg8 n LEU 1143Cb 0.42 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3kg8 n LEU 1143CO 0.45 0.72 0.45 -3.20 -1.33 0.00 0.00 177.39 174.48 3kg8 n ASN 1144N 1.31 2.04 0.34 -1.43 5.15 -1.26 -4.79 115.26 116.61 3kg8 n ASN 1144Ca 0.20 -1.56 0.20 0.00 -0.60 0.00 0.00 54.58 52.82 3kg8 n ASN 1144Cb 0.55 -0.05 1.07 0.00 -0.53 0.00 0.00 39.78 40.82 3kg8 n ASN 1144CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kg8 h THR 1145N 1.71 0.00 0.00 -0.44 1.35 -1.96 -2.19 112.91 111.38 3kg8 h THR 1145Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 3kg8 h THR 1145Cb 0.46 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3kg8 h THR 1145CO 0.00 0.00 -0.20 0.71 -0.25 0.00 0.00 175.52 175.78 3kg8 h THR 1146N 0.00 0.63 0.00 6.82 1.35 -1.93 -2.38 112.91 117.40 3kg8 h THR 1146Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3kg8 h THR 1146Cb 0.26 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3kg8 h THR 1146CO 0.00 0.20 -0.04 0.29 -0.25 0.00 0.00 175.52 175.72 3kg8 n LYS 1147N -3.54 0.22 -3.92 4.72 4.01 -0.82 -4.87 118.16 113.95 3kg8 n LYS 1147Ca -0.01 0.17 -0.31 0.00 -0.51 0.00 0.00 58.31 57.65 3kg8 n LYS 1147Cb 0.35 -1.75 -0.04 0.00 -0.51 0.00 0.00 35.03 33.08 3kg8 n LYS 1147CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3kg8 s TYR 1148N -3.09 3.51 -0.00 2.13 2.02 -0.90 -4.74 117.35 116.29 3kg8 s TYR 1148Ca 0.11 0.26 -0.18 0.00 -0.37 0.00 0.00 57.07 56.89 3kg8 s TYR 1148Cb 0.13 -1.77 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 3kg8 s TYR 1148CO 0.59 0.60 0.85 1.96 -1.57 0.00 0.00 175.55 177.98 3kg8 h GLN 1149N 3.20 -0.61 -3.55 -0.62 7.50 -1.89 -3.44 115.11 115.69 3kg8 h GLN 1149Ca -0.46 0.04 -0.39 0.00 0.50 0.00 0.00 58.65 58.34 3kg8 h GLN 1149Cb 1.16 0.14 -0.38 0.00 0.05 0.00 0.00 27.48 28.46 3kg8 h GLN 1149CO 0.75 -0.41 -0.75 -0.51 -1.50 0.00 0.00 178.83 176.41 3kg8 s LEU 1150N -8.23 0.54 0.34 1.46 1.43 -1.26 -4.61 118.68 108.35 3kg8 s LEU 1150Ca -0.09 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3kg8 s LEU 1150Cb 0.01 -0.28 -0.11 0.00 0.03 0.00 0.00 46.19 45.84 3kg8 s LEU 1150CO 0.28 -0.20 1.53 -2.28 0.23 0.00 0.00 176.35 175.91 3kg8 s HIS 1151N 1.85 2.64 0.37 0.29 5.65 -1.26 -4.71 115.29 120.12 3kg8 s HIS 1151Ca 0.02 1.01 0.15 0.00 0.25 0.00 0.00 55.06 56.49 3kg8 s HIS 1151Cb -0.12 -4.05 1.03 0.00 -1.18 0.00 0.00 32.58 28.26 3kg8 s HIS 1151CO -0.04 -3.26 1.75 -1.35 -0.65 0.00 0.00 174.74 171.20 3kg8 h PRO 1152N 3.73 0.44 0.00 2.88 0.11 -1.90 0.25 132.00 137.51 3kg8 h PRO 1152Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3kg8 h PRO 1152Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kg8 h PRO 1152CO 0.70 0.29 -0.13 1.79 -0.21 0.00 0.00 178.00 180.44 3kg8 h THR 1153N 0.46 0.29 -0.05 -1.15 1.35 -1.89 -1.38 112.91 110.52 3kg8 h THR 1153Ca 0.62 -1.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.35 3kg8 h THR 1153Cb 1.43 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3kg8 h THR 1153CO -0.36 0.13 -0.31 0.25 -0.25 0.00 0.00 175.52 174.98 3kg8 h LEU 1154N 0.00 0.36 -0.54 3.87 5.85 -0.86 -2.49 115.31 121.50 3kg8 h LEU 1154Ca -0.00 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.07 3kg8 h LEU 1154Cb 0.82 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3kg8 h LEU 1154CO 0.02 0.97 0.34 0.58 -0.34 0.00 0.00 178.44 180.01 3kg8 h VAL 1155N -0.22 1.08 -0.86 1.05 2.07 -1.14 -2.31 116.25 115.92 3kg8 h VAL 1155Ca -0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3kg8 h VAL 1155Cb 0.97 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3kg8 h VAL 1155CO 0.06 0.12 0.45 -0.78 0.02 0.00 0.00 177.57 177.45 3kg8 h ASP 1156N 0.68 1.09 -0.75 0.57 1.82 -1.31 -2.26 116.42 116.25 3kg8 h ASP 1156Ca 0.21 -0.11 0.06 0.00 -0.39 0.00 0.00 57.03 56.81 3kg8 h ASP 1156Cb -0.01 -0.28 -0.06 0.00 0.68 0.00 0.00 39.33 39.66 3kg8 h ASP 1156CO -0.08 0.89 0.44 0.28 -1.61 0.00 0.00 179.24 179.16 3kg8 h SER 1157N 1.21 0.67 -0.55 2.28 0.02 -1.09 0.15 113.55 116.25 3kg8 h SER 1157Ca 0.30 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.33 3kg8 h SER 1157Cb 0.06 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 3kg8 h SER 1157CO -0.04 0.43 0.26 0.00 -1.14 0.00 0.00 176.83 176.33 3kg8 h PHE 1159N 0.50 0.56 -0.44 0.00 0.04 -1.00 -2.36 116.94 114.24 3kg8 h PHE 1159Ca 0.25 -0.11 0.07 0.00 2.80 0.00 0.00 57.97 60.98 3kg8 h PHE 1159Cb 0.19 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3kg8 h PHE 1159CO -0.11 0.70 0.30 1.96 -0.60 0.00 0.00 178.31 180.55 3kg8 h GLN 1160N 0.45 0.29 -0.17 1.51 4.20 -0.05 -2.55 115.11 118.79 3kg8 h GLN 1160Ca 0.07 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.81 3kg8 h GLN 1160Cb 0.64 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3kg8 h GLN 1160CO 0.05 0.19 0.15 0.66 -0.67 0.00 0.00 178.83 179.21 3kg8 h SER 1161N 0.30 0.00 0.56 1.46 4.64 -0.93 0.10 113.55 119.69 3kg8 h SER 1161Ca 0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 3kg8 h SER 1161Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kg8 h SER 1161CO -0.04 0.00 -0.16 0.16 -0.87 0.00 0.00 176.83 175.92 3kg8 h ILE 1162N 0.00 0.55 -0.79 0.95 3.07 -1.61 -1.87 117.51 117.81 3kg8 h ILE 1162Ca 0.08 -0.74 0.11 0.00 1.55 0.00 0.00 64.86 65.86 3kg8 h ILE 1162Cb 0.37 1.49 -0.06 0.00 -0.27 0.00 0.00 36.82 38.36 3kg8 h ILE 1162CO -0.00 0.15 0.52 0.40 -1.05 0.00 0.00 178.15 178.17 3kg8 h ILE 1163N 0.00 0.90 0.00 0.16 1.08 -0.96 -1.69 117.51 116.99 3kg8 h ILE 1163Ca -0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3kg8 h ILE 1163Cb 0.48 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3kg8 h ILE 1163CO 0.02 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 3kg8 h ALA 1164N 1.61 1.00 -0.32 1.87 0.00 -1.47 -1.47 119.26 120.49 3kg8 h ALA 1164Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kg8 h ALA 1164Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kg8 h ALA 1164CO -0.14 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.39 3kg8 n LEU 1165N -2.59 2.97 -0.05 0.00 4.77 -0.64 -4.21 117.00 117.26 3kg8 n LEU 1165Ca -0.00 -1.26 0.01 0.00 -0.03 0.00 0.00 56.01 54.72 3kg8 n LEU 1165Cb 0.15 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3kg8 n LEU 1165CO 0.18 0.63 0.36 1.33 -1.33 0.00 0.00 177.39 178.56 3kg8 n VAL 1166N 1.18 0.47 -0.35 4.08 0.24 -0.57 -4.93 118.33 118.47 3kg8 n VAL 1166Ca 0.18 -0.50 0.07 0.00 -2.04 0.00 0.00 64.34 62.05 3kg8 n VAL 1166Cb 0.53 0.70 0.25 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.00 0.91 -5.02 1.34 3.38 -1.68 -3.12 115.31 111.13 3kg8 h LEU 1167Ca 0.00 0.04 -0.60 0.00 0.09 0.00 0.00 57.88 57.41 3kg8 h LEU 1167Cb 0.86 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 41.05 3kg8 h LEU 1167CO 0.00 0.51 -0.58 0.47 0.09 0.00 0.00 178.44 178.93 3kg8 n ASP 1168N -4.58 4.75 -4.88 -0.43 10.43 -1.26 -5.02 116.55 115.55 3kg8 n ASP 1168Ca 0.18 -3.71 -0.35 0.00 2.57 0.00 0.00 54.79 53.48 3kg8 n ASP 1168Cb 0.33 -0.55 -0.06 0.00 1.84 0.00 0.00 41.12 42.68 3kg8 n ASP 1168CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3kg8 s GLN 1169N -3.55 3.42 0.91 -1.24 -0.21 -1.18 -5.11 119.66 112.70 3kg8 s GLN 1169Ca 0.48 -0.23 -0.16 0.00 0.02 0.00 0.00 55.36 55.48 3kg8 s GLN 1169Cb 0.33 -3.13 0.21 0.00 1.00 0.00 0.00 33.01 31.42 3kg8 s GLN 1169CO -0.17 0.73 1.21 0.43 -2.12 0.00 0.00 175.29 175.37 3kg8 n SER 1170N 1.52 -0.05 0.00 5.90 7.64 -1.26 -4.98 113.62 122.39 3kg8 n SER 1170Ca -0.16 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.30 3kg8 n SER 1170Cb 0.54 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3kg8 n SER 1170CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kg8 n GLY 1171N -3.05 -0.02 3.62 0.23 0.00 -1.26 -4.97 105.19 99.74 3kg8 n GLY 1171Ca 0.15 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3kg8 n GLY 1171CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kg8 s ASN 1172N -4.00 6.26 0.59 1.61 3.84 -1.26 -4.89 114.94 117.09 3kg8 s ASN 1172Ca 0.00 1.37 0.29 0.00 0.21 0.00 0.00 52.86 54.73 3kg8 s ASN 1172Cb 0.00 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.68 3kg8 s ASN 1172CO 0.00 -1.40 1.93 0.11 -2.79 0.00 0.00 177.10 174.95 3kg8 h LYS 1173N 11.22 0.00 -0.00 0.43 1.57 -1.97 -0.44 116.57 127.39 3kg8 h LYS 1173Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3kg8 h LYS 1173Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3kg8 h LYS 1173CO 1.03 0.00 -0.11 0.09 -0.57 0.00 0.00 179.45 179.88 3kg8 n ASN 1174N -3.68 0.20 -4.77 0.86 3.02 -1.26 -4.68 115.26 104.95 3kg8 n ASN 1174Ca 0.07 -0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 3kg8 n ASN 1174Cb 0.60 -0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 3kg8 n ASN 1174CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kg8 s GLU 1175N -2.79 3.10 0.25 3.52 2.02 -0.17 -4.21 118.70 120.42 3kg8 s GLU 1175Ca 0.20 -0.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 3kg8 s GLU 1175Cb 0.19 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3kg8 s GLU 1175CO 0.53 0.69 0.25 -0.08 0.02 0.00 0.00 175.26 176.67 3kg8 s THR 1176N -1.08 0.00 -0.24 3.63 -1.32 -0.49 -4.91 115.64 111.23 3kg8 s THR 1176Ca 0.19 -1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 58.50 3kg8 s THR 1176Cb -0.12 -2.48 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3kg8 s THR 1176CO 0.09 0.00 1.02 -0.36 -2.21 0.00 0.00 174.62 173.16 3kg8 s PHE 1177N -3.84 3.32 -0.07 9.09 0.40 -1.26 -0.66 117.98 124.96 3kg8 s PHE 1177Ca 0.37 1.40 -0.00 0.00 -0.60 0.00 0.00 56.93 58.10 3kg8 s PHE 1177Cb 0.04 -3.29 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 3kg8 s PHE 1177CO 0.17 -0.50 -0.03 0.08 0.70 0.00 0.00 175.22 175.63 3kg8 s VAL 1178N 3.21 4.00 0.31 -0.44 1.01 0.74 -4.79 120.40 124.44 3kg8 s VAL 1178Ca 0.43 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3kg8 s VAL 1178Cb -0.15 -2.67 -0.12 0.00 0.00 0.00 0.00 36.38 33.45 3kg8 s VAL 1178CO 0.07 0.58 1.55 -2.65 0.00 0.00 0.00 175.10 174.65 3kg8 n PRO 1179N 2.10 2.64 0.00 2.72 -0.02 -1.26 -0.56 135.00 140.61 3kg8 n PRO 1179Ca -0.18 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3kg8 n PRO 1179Cb 0.53 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.69 0.00 -3.46 6.00 7.35 0.25 -4.82 117.46 124.47 3kg8 n PHE 1180Ca 0.07 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.63 3kg8 n PHE 1180Cb 0.37 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.17 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 -3.72 -0.55 -0.07 -2.13 1.04 -1.05 -3.76 113.70 103.45 3kg8 s SER 1181Ca 0.00 0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 3kg8 s SER 1181Cb 0.00 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3kg8 s SER 1181CO 0.00 -0.81 0.15 -0.63 0.98 0.00 0.00 173.24 172.92 3kg8 s ILE 1182N -2.97 -0.18 0.06 -1.02 1.01 -0.96 -0.92 121.20 116.21 3kg8 s ILE 1182Ca -0.01 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 3kg8 s ILE 1182Cb -0.01 -0.27 -0.13 0.00 0.01 0.00 0.00 42.46 42.07 3kg8 s ILE 1182CO -0.07 0.12 1.36 0.44 0.00 0.00 0.00 174.94 176.80 3kg8 h ASP 1183N 7.97 0.54 -2.89 3.58 3.32 -1.12 -1.17 116.42 126.65 3kg8 h ASP 1183Ca -0.24 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.22 3kg8 h ASP 1183Cb 1.12 -0.15 -0.27 0.00 0.22 0.00 0.00 39.33 40.26 3kg8 h ASP 1183CO 0.24 0.93 -0.31 -0.75 -1.72 0.00 0.00 179.24 177.63 3kg8 s LYS 1184N -4.25 0.38 -0.22 3.56 2.20 -0.83 -1.28 119.74 119.30 3kg8 s LYS 1184Ca -0.13 0.93 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 3kg8 s LYS 1184Cb 0.06 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 3kg8 s LYS 1184CO 0.79 -0.20 -0.08 0.12 -0.36 0.00 0.00 175.35 175.62 3kg8 s PHE 1185N 1.96 2.94 -0.15 4.03 5.36 0.66 -0.10 117.98 132.67 3kg8 s PHE 1185Ca -0.06 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.73 3kg8 s PHE 1185Cb -0.10 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.52 3kg8 s PHE 1185CO -0.13 -0.63 -0.15 0.99 -1.46 0.00 0.00 175.22 173.83 3kg8 s THR 1186N 1.42 2.66 -0.22 0.12 2.01 0.10 -0.18 115.64 121.55 3kg8 s THR 1186Ca 0.05 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 3kg8 s THR 1186Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3kg8 s THR 1186CO -0.06 0.52 0.04 0.12 -0.69 0.00 0.00 174.62 174.55 3kg8 s PHE 1187N 0.81 3.09 -0.10 4.92 2.19 -0.23 -0.74 117.98 127.90 3kg8 s PHE 1187Ca -0.05 -0.38 -0.10 0.00 0.33 0.00 0.00 56.93 56.73 3kg8 s PHE 1187Cb -0.15 -2.16 -0.03 0.00 -1.31 0.00 0.00 43.02 39.37 3kg8 s PHE 1187CO -0.00 -0.25 -0.19 0.66 1.83 0.00 0.00 175.22 177.27 3kg8 n TYR 1188N 4.48 0.11 -3.79 10.12 4.01 -0.76 -1.12 117.16 130.21 3kg8 n TYR 1188Ca -0.17 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.50 3kg8 n TYR 1188Cb 0.52 -0.35 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 3kg8 n TYR 1188CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kg8 s ASN 1189N -5.10 -0.13 0.47 7.72 4.22 -1.23 -3.84 114.94 117.05 3kg8 s ASN 1189Ca -0.16 0.01 -0.20 0.00 -2.14 0.00 0.00 52.86 50.38 3kg8 s ASN 1189Cb 0.02 0.29 -0.09 0.00 1.28 0.00 0.00 41.25 42.75 3kg8 s ASN 1189CO 0.24 -0.42 0.99 -0.55 -2.04 0.00 0.00 177.10 175.32 3kg8 s SER 1190N -1.31 6.63 -0.19 3.54 0.15 -1.26 -4.68 113.70 116.59 3kg8 s SER 1190Ca -0.14 1.77 -0.06 0.00 0.70 0.00 0.00 55.95 58.22 3kg8 s SER 1190Cb -0.06 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 3kg8 s SER 1190CO 0.03 -0.58 0.02 -0.55 1.20 0.00 0.00 173.24 173.36 3kg8 s SER 1191N -2.25 5.12 0.07 5.45 0.15 -1.26 -4.97 113.70 116.00 3kg8 s SER 1191Ca 0.64 -0.09 0.20 0.00 0.70 0.00 0.00 55.95 57.40 3kg8 s SER 1191Cb -0.12 -1.87 0.83 0.00 -1.71 0.00 0.00 66.02 63.15 3kg8 s SER 1191CO 0.19 0.12 1.63 -0.67 1.20 0.00 0.00 173.24 175.71 3kg8 n ASP 1192N 3.86 0.19 -4.89 5.45 2.03 -1.26 -4.90 116.55 117.03 3kg8 n ASP 1192Ca -0.17 0.54 -0.31 0.00 0.52 0.00 0.00 54.79 55.37 3kg8 n ASP 1192Cb 0.52 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 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 -3.36 6.54 0.32 1.67 0.01 -1.26 -4.99 114.94 113.88 3kg8 s ASN 1193Ca 0.08 0.75 0.24 0.00 -0.71 0.00 0.00 52.86 53.23 3kg8 s ASN 1193Cb 0.12 -2.16 0.42 0.00 0.41 0.00 0.00 41.25 40.04 3kg8 s ASN 1193CO 0.37 -0.05 1.56 0.44 -1.51 0.00 0.00 177.10 177.91 3kg8 h ASP 1194N 2.48 0.00 -3.56 -1.22 5.19 -1.94 -3.45 116.42 113.91 3kg8 h ASP 1194Ca -0.47 -0.02 -0.67 0.00 -0.62 0.00 0.00 57.03 55.26 3kg8 h ASP 1194Cb 1.17 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.42 3kg8 h ASP 1194CO 0.70 0.01 -0.78 -0.22 -3.12 0.00 0.00 179.24 175.82 3kg8 s LEU 1195N -5.50 2.63 0.14 1.55 0.20 -1.26 -1.79 118.68 114.66 3kg8 s LEU 1195Ca 0.07 -0.32 -0.00 0.00 0.69 0.00 0.00 54.13 54.57 3kg8 s LEU 1195Cb 0.08 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 3kg8 s LEU 1195CO 0.67 0.22 0.03 -0.76 -0.29 0.00 0.00 176.35 176.22 3kg8 s LEU 1196N 0.02 1.92 -0.06 -0.68 1.43 -0.57 -4.17 118.68 116.57 3kg8 s LEU 1196Ca -0.05 -1.19 0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3kg8 s LEU 1196Cb -0.15 0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 3kg8 s LEU 1196CO 0.04 -0.67 -0.25 0.26 0.23 0.00 0.00 176.35 175.97 3kg8 s TRP 1197N -3.90 2.39 -0.19 0.29 0.52 -0.04 -0.50 118.94 117.52 3kg8 s TRP 1197Ca 0.24 -0.72 0.01 0.00 0.02 0.00 0.00 56.10 55.64 3kg8 s TRP 1197Cb 0.07 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 3kg8 s TRP 1197CO 0.02 -0.22 -0.18 0.00 0.02 0.00 0.00 176.95 176.59 3kg8 s TYR 1199N 1.30 3.05 -0.03 0.00 6.14 0.49 -0.60 117.35 127.71 3kg8 s TYR 1199Ca 0.05 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.58 3kg8 s TYR 1199Cb -0.13 -1.93 0.02 0.00 0.42 0.00 0.00 41.96 40.34 3kg8 s TYR 1199CO -0.12 0.07 -0.00 0.99 0.64 0.00 0.00 175.55 177.13 3kg8 s THR 1200N 0.12 0.17 -0.01 4.34 2.01 -0.62 0.05 115.64 121.71 3kg8 s THR 1200Ca -0.00 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 3kg8 s THR 1200Cb -0.13 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.12 3kg8 s THR 1200CO 0.03 0.13 0.04 0.00 -0.69 0.00 0.00 174.62 174.12 3kg8 n GLY 1202N 2.92 -1.05 3.75 0.00 0.00 -1.06 -1.11 105.19 108.63 3kg8 n GLY 1202Ca -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 3kg8 n GLY 1202CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kg8 s SER 1203N -4.00 -0.15 0.55 1.61 1.04 -0.23 -4.70 113.70 107.82 3kg8 s SER 1203Ca 0.00 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 55.82 3kg8 s SER 1203Cb 0.00 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 3kg8 s SER 1203CO 0.00 -0.83 1.37 -0.54 0.98 0.00 0.00 173.24 174.22 3kg8 s LYS 1204N -3.09 3.13 0.05 4.02 3.01 -1.26 -1.59 119.74 124.00 3kg8 s LYS 1204Ca 0.13 2.27 -0.31 0.00 -1.01 0.00 0.00 55.97 57.06 3kg8 s LYS 1204Cb -0.01 -2.27 -0.07 0.00 -1.01 0.00 0.00 37.83 34.48 3kg8 s LYS 1204CO 0.02 -1.21 1.47 0.34 0.51 0.00 0.00 175.35 176.48 3kg8 s ASP 1205N -0.91 6.77 0.36 2.83 2.15 -0.19 -4.86 116.67 122.81 3kg8 s ASP 1205Ca 0.72 2.29 0.12 0.00 0.43 0.00 0.00 52.55 56.10 3kg8 s ASP 1205Cb -0.41 -2.57 0.91 0.00 -0.30 0.00 0.00 42.92 40.55 3kg8 s ASP 1205CO 0.49 -0.75 1.80 0.11 -0.17 0.00 0.00 175.17 176.64 3kg8 h LYS 1206N 7.69 0.57 0.34 4.34 6.56 -1.91 -2.78 116.57 131.36 3kg8 h LYS 1206Ca -0.40 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.14 3kg8 h LYS 1206Cb 1.19 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 3kg8 h LYS 1206CO 0.90 0.38 -0.16 1.96 -2.06 0.00 0.00 179.45 180.47 3kg8 h GLN 1207N 0.59 -0.43 -4.87 3.15 4.20 -1.99 -3.45 115.11 112.30 3kg8 h GLN 1207Ca 0.55 0.03 -0.61 0.00 0.06 0.00 0.00 58.65 58.68 3kg8 h GLN 1207Cb 1.10 0.10 -0.34 0.00 0.30 0.00 0.00 27.48 28.64 3kg8 h GLN 1207CO -0.31 -0.29 -0.84 -1.54 -0.67 0.00 0.00 178.83 175.18 3kg8 s SER 1208N -4.77 2.60 0.00 1.46 1.04 -1.05 -5.00 113.70 107.98 3kg8 s SER 1208Ca -0.07 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3kg8 s SER 1208Cb 0.01 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.95 3kg8 s SER 1208CO 0.20 0.04 0.47 0.61 0.98 0.00 0.00 173.24 175.54 3kg8 n GLY 1209N 4.13 -0.31 0.05 7.32 0.00 -1.25 -2.87 105.19 112.27 3kg8 n GLY 1209Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.38 0.22 -4.56 1.61 1.02 -1.26 -4.86 120.64 112.43 3kg8 n GLU 1210Ca 0.00 0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.89 3kg8 n GLU 1210Cb 0.02 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 3kg8 n GLU 1210CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3kg8 s LYS 1211N -3.12 2.64 -0.15 3.49 1.02 -1.14 -0.90 119.74 121.58 3kg8 s LYS 1211Ca 0.08 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.45 3kg8 s LYS 1211Cb 0.14 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 3kg8 s LYS 1211CO 0.70 0.63 -0.20 0.12 -0.92 0.00 0.00 175.35 175.68 3kg8 s PHE 1212N -0.90 2.56 -0.01 3.18 5.36 0.16 -1.02 117.98 127.30 3kg8 s PHE 1212Ca 0.15 -1.35 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 3kg8 s PHE 1212Cb -0.11 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 3kg8 s PHE 1212CO 0.04 -0.64 -0.03 0.21 -1.46 0.00 0.00 175.22 173.34 3kg8 s LYS 1213N 1.00 2.72 -0.07 10.12 2.20 -0.62 -0.78 119.74 134.31 3kg8 s LYS 1213Ca -0.03 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 3kg8 s LYS 1213Cb -0.15 -2.62 0.05 0.00 -1.51 0.00 0.00 37.83 33.61 3kg8 s LYS 1213CO -0.05 0.63 0.55 0.00 -0.36 0.00 0.00 175.35 176.12 3kg8 s ALA 1214N -1.02 -1.41 -0.04 3.13 0.00 -0.33 -1.07 121.76 121.02 3kg8 s ALA 1214Ca 0.18 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3kg8 s ALA 1214Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3kg8 s ALA 1214CO 0.08 -0.32 -0.07 -0.51 0.00 0.00 0.00 175.76 174.94 3kg8 s ASP 1215N -0.93 4.62 0.01 0.00 -0.00 -0.27 -0.54 116.67 119.57 3kg8 s ASP 1215Ca -0.10 -0.06 0.05 0.00 -0.00 0.00 0.00 52.55 52.44 3kg8 s ASP 1215Cb -0.02 -1.13 -0.02 0.00 -0.00 0.00 0.00 42.92 41.75 3kg8 s ASP 1215CO 0.06 0.34 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.78 3kg8 s ILE 1216N -0.87 1.25 -0.06 0.77 1.01 0.44 -1.29 121.20 122.45 3kg8 s ILE 1216Ca 0.14 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3kg8 s ILE 1216Cb -0.11 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3kg8 s ILE 1216CO 0.03 0.26 -0.11 -1.10 0.00 0.00 0.00 174.94 174.02 3kg8 s GLN 1217N -0.62 1.51 -0.21 2.79 -0.21 0.11 -0.54 119.66 122.48 3kg8 s GLN 1217Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.05 3kg8 s GLN 1217Cb -0.07 -1.28 -0.00 0.00 1.00 0.00 0.00 33.01 32.66 3kg8 s GLN 1217CO 0.00 0.01 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.94 3kg8 s LEU 1218N 0.69 2.75 0.09 2.90 2.96 0.37 -0.38 118.68 128.06 3kg8 s LEU 1218Ca -0.14 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 3kg8 s LEU 1218Cb -0.15 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3kg8 s LEU 1218CO 0.03 -0.00 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.53 3kg8 s PHE 1219N 1.37 2.57 0.96 5.38 0.40 0.19 -0.01 117.98 128.84 3kg8 s PHE 1219Ca 0.05 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 3kg8 s PHE 1219Cb -0.14 -1.39 0.17 0.00 0.51 0.00 0.00 43.02 42.17 3kg8 s PHE 1219CO -0.04 0.35 1.10 0.34 0.70 0.00 0.00 175.22 177.67 3kg8 s ASP 1220N -1.95 2.65 0.35 1.36 -1.08 0.55 -0.86 116.67 117.70 3kg8 s ASP 1220Ca 0.17 1.87 0.26 0.00 -0.52 0.00 0.00 52.55 54.33 3kg8 s ASP 1220Cb -0.11 -2.43 1.22 0.00 -1.46 0.00 0.00 42.92 40.14 3kg8 s ASP 1220CO 0.09 -3.21 1.79 0.06 0.52 0.00 0.00 175.17 174.42 3kg8 h GLN 1221N -1.95 0.00 -0.02 4.34 3.07 -1.89 -1.68 115.11 116.98 3kg8 h GLN 1221Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 3kg8 h GLN 1221Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 3kg8 h GLN 1221CO 0.47 0.00 -0.06 0.72 0.09 0.00 0.00 178.83 180.05 3kg8 n HIS 1222N -2.44 0.00 -0.73 0.06 8.25 -1.26 -4.95 115.22 114.15 3kg8 n HIS 1222Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kg8 n HIS 1222Cb 0.17 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 1.29 0.69 3.72 -1.41 0.00 -0.63 -5.03 105.19 103.82 3kg8 n GLY 1223Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.27 4.38 -0.14 1.61 -0.21 -1.26 -4.77 119.66 118.99 3kg8 s GLN 1224Ca 0.00 2.00 -0.29 0.00 0.02 0.00 0.00 55.36 57.09 3kg8 s GLN 1224Cb 0.00 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 3kg8 s GLN 1224CO 0.00 -0.32 1.50 -1.17 -2.12 0.00 0.00 175.29 173.18 3kg8 s LEU 1225N 0.59 4.15 -0.12 2.90 2.96 -1.26 -0.33 118.68 127.57 3kg8 s LEU 1225Ca 0.60 1.86 -0.11 0.00 -0.22 0.00 0.00 54.13 56.26 3kg8 s LEU 1225Cb -0.35 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.54 3kg8 s LEU 1225CO 0.33 -0.96 0.42 0.58 -1.32 0.00 0.00 176.35 175.40 3kg8 h VAL 1226N 5.71 0.77 -2.63 1.68 2.07 -0.71 -3.40 116.25 119.74 3kg8 h VAL 1226Ca -0.33 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 64.80 3kg8 h VAL 1226Cb 1.14 2.54 -0.15 0.00 -1.52 0.00 0.00 31.29 33.31 3kg8 h VAL 1226CO 0.97 0.79 0.19 0.00 0.02 0.00 0.00 177.57 179.54 3kg8 s ALA 1227N -2.52 -1.64 -0.11 1.67 0.00 -0.99 -1.83 121.76 116.34 3kg8 s ALA 1227Ca -0.22 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 3kg8 s ALA 1227Cb 0.06 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.75 3kg8 s ALA 1227CO 0.76 -0.61 0.28 -1.14 0.00 0.00 0.00 175.76 175.05 3kg8 s GLN 1228N -2.73 0.29 -0.20 0.00 0.74 0.08 -0.48 119.66 117.36 3kg8 s GLN 1228Ca -0.04 0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.85 3kg8 s GLN 1228Cb -0.01 0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.20 3kg8 s GLN 1228CO -0.04 -0.09 -0.10 0.08 -0.55 0.00 0.00 175.29 174.59 3kg8 s VAL 1229N 0.61 1.65 -0.17 1.34 1.01 0.29 0.03 120.40 125.16 3kg8 s VAL 1229Ca -0.04 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 3kg8 s VAL 1229Cb -0.05 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3kg8 s VAL 1229CO -0.04 0.16 0.10 -0.63 0.00 0.00 0.00 175.10 174.70 3kg8 s ILE 1230N 1.39 5.18 -0.89 2.22 -1.09 0.86 -0.42 121.20 128.44 3kg8 s ILE 1230Ca -0.01 0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.49 3kg8 s ILE 1230Cb -0.16 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3kg8 s ILE 1230CO -0.08 0.49 0.76 0.61 -1.23 0.00 0.00 174.94 175.49 3kg8 n GLY 1231N 3.11 -0.40 3.70 6.18 0.00 -1.15 -1.96 105.19 114.67 3kg8 n GLY 1231Ca -0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.29 3.57 -0.17 1.61 5.36 0.30 -1.71 117.98 123.65 3kg8 s PHE 1232Ca 0.15 1.63 0.01 0.00 -0.96 0.00 0.00 56.93 57.75 3kg8 s PHE 1232Cb -0.02 -3.15 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 3kg8 s PHE 1232CO 0.58 -0.13 -0.18 -2.00 -1.46 0.00 0.00 175.22 172.02 3kg8 s GLU 1233N 1.59 3.07 0.03 10.12 2.12 -0.10 -1.19 118.70 134.35 3kg8 s GLU 1233Ca 0.50 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 3kg8 s GLU 1233Cb -0.19 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3kg8 s GLU 1233CO 0.22 -0.12 0.17 0.20 -0.54 0.00 0.00 175.26 175.18 3kg8 s GLY 1234N 1.11 2.14 0.02 -1.50 0.00 0.04 -0.58 107.32 108.54 3kg8 s GLY 1234Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.95 3kg8 s GLY 1234CO -0.07 -0.78 -0.22 0.50 0.00 0.00 0.00 173.10 172.53 3kg8 s ARG 1235N -2.21 1.63 -0.09 2.90 0.52 0.27 -0.67 118.95 121.30 3kg8 s ARG 1235Ca 0.30 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.32 3kg8 s ARG 1235Cb -0.13 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.62 3kg8 s ARG 1235CO 0.22 0.44 1.68 0.15 0.02 0.00 0.00 175.30 177.82 3kg8 s LYS 1236N -0.89 4.05 0.01 3.54 -0.14 -0.08 -0.19 119.74 126.04 3kg8 s LYS 1236Ca 0.09 2.08 -0.19 0.00 -1.36 0.00 0.00 55.97 56.58 3kg8 s LYS 1236Cb -0.09 -4.02 0.04 0.00 -1.68 0.00 0.00 37.83 32.08 3kg8 s LYS 1236CO 0.01 -1.01 0.42 0.00 -0.76 0.00 0.00 175.35 174.01 3kg8 s ALA 1237N 4.50 -1.06 -0.29 5.17 0.00 0.17 -4.94 121.76 125.31 3kg8 s ALA 1237Ca 0.75 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3kg8 s ALA 1237Cb -0.32 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kg8 s ALA 1237CO 0.30 -0.38 1.11 1.21 0.00 0.00 0.00 175.76 178.01 3kg8 s ASN 1238N -1.66 6.93 0.64 0.00 3.84 -1.26 -1.40 114.94 122.03 3kg8 s ASN 1238Ca -0.09 1.19 0.25 0.00 0.21 0.00 0.00 52.86 54.42 3kg8 s ASN 1238Cb -0.02 -2.54 1.34 0.00 -0.55 0.00 0.00 41.25 39.48 3kg8 s ASN 1238CO 0.02 -0.85 1.75 -0.65 -2.79 0.00 0.00 177.10 174.57 3kg8 h PRO 1239N 8.13 0.00 -0.50 0.43 0.11 -1.85 0.23 132.00 138.55 3kg8 h PRO 1239Ca -0.21 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.97 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 0.33 -0.22 -0.21 0.00 0.00 178.00 178.92 3kg8 h LYS 1240N 0.00 0.36 -0.26 1.05 3.64 -1.91 -2.92 116.57 116.53 3kg8 h LYS 1240Ca 0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3kg8 h LYS 1240Cb 0.83 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3kg8 h LYS 1240CO 0.00 0.24 -0.07 0.97 -2.27 0.00 0.00 179.45 178.32 3kg8 h ILE 1241N 0.37 1.19 0.00 2.00 6.09 -0.89 -0.54 117.51 125.73 3kg8 h ILE 1241Ca 0.22 -0.80 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 3kg8 h ILE 1241Cb 0.40 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.76 3kg8 h ILE 1241CO -0.05 0.26 0.00 0.00 -3.07 0.00 0.00 178.15 175.29 3kg8 n LEU 1242N -4.27 0.00 0.01 2.19 -0.00 -1.10 -3.95 117.00 109.88 3kg8 n LEU 1242Ca 0.00 0.33 -0.12 0.00 -0.00 0.00 0.00 56.01 56.22 3kg8 n LEU 1242Cb 0.26 -0.33 -0.09 0.00 -0.00 0.00 0.00 43.42 43.26 3kg8 n LEU 1242CO 0.39 -0.12 0.52 -0.07 -0.00 0.00 0.00 177.39 178.11 3kg8 h LEU 1243N 0.00 -0.08 0.00 1.47 3.38 -1.23 -3.39 115.31 115.46 3kg8 h LEU 1243Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kg8 h LEU 1243Cb 0.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kg8 h LEU 1243CO 0.00 0.49 0.00 0.23 0.09 0.00 0.00 178.44 179.25