#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg9 s HIS 963 N 0.00 3.08 0.54 -1.77 5.65 -1.26 -4.91 115.29 116.63 3kg9 s HIS 963 Ca 0.00 1.02 0.29 0.00 0.25 0.00 0.00 55.06 56.62 3kg9 s HIS 963 Cb 0.00 -3.78 1.72 0.00 -1.18 0.00 0.00 32.58 29.34 3kg9 s HIS 963 CO 0.00 -2.58 2.21 -1.35 -0.65 0.00 0.00 174.74 172.37 3kg9 h PRO 964 N 5.39 0.00 0.00 2.88 0.11 -1.95 -1.30 132.00 137.14 3kg9 h PRO 964 Ca -0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 3kg9 h PRO 964 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3kg9 h PRO 964 CO 0.80 0.04 -1.90 1.28 -0.21 0.00 0.00 178.00 178.00 3kg9 n LEU 965 N -3.79 2.74 -0.02 2.35 4.77 -1.26 -4.62 117.00 117.16 3kg9 n LEU 965 Ca -0.03 -0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.71 3kg9 n LEU 965 Cb 0.13 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 3kg9 n LEU 965 CO 0.28 0.73 0.30 0.25 -1.33 0.00 0.00 177.39 177.62 3kg9 h LEU 966 N 0.00 0.82 0.00 2.23 5.85 -1.92 -3.41 115.31 118.88 3kg9 h LEU 966 Ca -0.35 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 57.73 3kg9 h LEU 966 Cb 1.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3kg9 h LEU 966 CO -0.05 1.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.99 3kg9 n GLY 967 N 0.72 0.11 3.82 3.75 0.00 -0.49 -3.27 105.19 109.84 3kg9 n GLY 967 Ca -0.08 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3kg9 n GLY 967 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kg9 s GLU 968 N 0.00 3.22 0.12 1.61 -1.05 -0.08 -4.43 118.70 118.09 3kg9 s GLU 968 Ca 0.00 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.13 3kg9 s GLU 968 Cb 0.00 -2.97 -0.07 0.00 -0.44 0.00 0.00 34.13 30.66 3kg9 s GLU 968 CO 0.00 0.68 1.17 0.21 0.95 0.00 0.00 175.26 178.27 3kg9 s LYS 969 N -1.64 4.49 0.12 -4.83 2.20 -1.26 -0.72 119.74 118.10 3kg9 s LYS 969 Ca 0.22 1.77 -0.22 0.00 -0.36 0.00 0.00 55.97 57.39 3kg9 s LYS 969 Cb -0.12 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 3kg9 s LYS 969 CO 0.13 -0.13 0.67 -0.51 -0.36 0.00 0.00 175.35 175.15 3kg9 s LEU 970 N 0.39 4.55 -0.41 5.43 1.43 0.78 -4.96 118.68 125.89 3kg9 s LEU 970 Ca 0.55 1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 3kg9 s LEU 970 Cb -0.30 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 42.84 3kg9 s LEU 970 CO 0.32 0.24 0.41 0.21 0.23 0.00 0.00 176.35 177.76 3kg9 s ASN 971 N -1.14 6.18 -0.07 2.29 2.47 -1.26 -4.60 114.94 118.81 3kg9 s ASN 971 Ca 0.32 -0.64 0.04 0.00 0.42 0.00 0.00 52.86 53.01 3kg9 s ASN 971 Cb -0.21 -2.21 -0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3kg9 s ASN 971 CO 0.22 -0.53 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.11 3kg9 s LEU 972 N 2.07 1.96 0.61 3.21 1.43 -1.26 -5.13 118.68 121.56 3kg9 s LEU 972 Ca 0.11 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3kg9 s LEU 972 Cb -0.17 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3kg9 s LEU 972 CO 0.13 0.15 1.06 0.00 0.23 0.00 0.00 176.35 177.93 3kg9 s ALA 973 N 0.20 2.70 0.00 4.21 0.00 -1.26 -4.31 121.76 123.30 3kg9 s ALA 973 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3kg9 s ALA 973 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3kg9 s ALA 973 CO 0.05 -0.91 0.00 -2.13 0.00 0.00 0.00 175.76 172.77 3kg9 n ARG 974 N -2.17 0.00 -1.99 0.00 0.63 -1.26 -4.92 116.66 106.95 3kg9 n ARG 974 Ca 0.09 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.60 3kg9 n ARG 974 Cb 0.53 -0.12 -0.03 0.00 0.45 0.00 0.00 32.46 33.29 3kg9 n ARG 974 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kg9 s ILE 975 N 0.00 3.42 0.00 5.15 1.01 -1.26 -5.01 121.20 124.52 3kg9 s ILE 975 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.33 3kg9 s ILE 975 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3kg9 s ILE 975 CO 0.00 -0.04 -0.05 -1.61 0.00 0.00 0.00 174.94 173.24 3kg9 s GLU 976 N 3.52 2.60 -0.95 2.79 2.02 -1.26 -4.67 118.70 122.74 3kg9 s GLU 976 Ca 0.73 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.02 3kg9 s GLU 976 Cb -0.35 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3kg9 s GLU 976 CO 0.31 0.61 0.00 0.09 0.02 0.00 0.00 175.26 176.28 3kg9 n ASN 977 N 1.53 -3.29 -3.90 -0.19 3.02 -1.26 -4.94 115.26 106.24 3kg9 n ASN 977 Ca -0.15 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.49 3kg9 n ASN 977 Cb 0.53 -2.90 -0.15 0.00 -0.61 0.00 0.00 39.78 36.64 3kg9 n ASN 977 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3kg9 s GLN 978 N -4.47 0.31 -0.01 3.52 0.74 -1.26 -1.32 119.66 117.16 3kg9 s GLN 978 Ca 0.00 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.37 3kg9 s GLN 978 Cb 0.00 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.76 3kg9 s GLN 978 CO 0.00 0.01 -0.12 -1.01 -0.55 0.00 0.00 175.29 173.63 3kg9 s HIS 979 N 0.25 1.08 -0.11 1.67 3.76 0.42 -4.97 115.29 117.38 3kg9 s HIS 979 Ca -0.02 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.69 3kg9 s HIS 979 Cb -0.05 -0.71 -0.00 0.00 1.11 0.00 0.00 32.58 32.92 3kg9 s HIS 979 CO -0.01 -0.05 -0.21 -1.01 -0.85 0.00 0.00 174.74 172.62 3kg9 s HIS 980 N -0.15 2.65 0.21 1.40 3.76 -1.26 -0.69 115.29 121.20 3kg9 s HIS 980 Ca 0.02 -0.97 0.09 0.00 -0.15 0.00 0.00 55.06 54.06 3kg9 s HIS 980 Cb -0.06 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 3kg9 s HIS 980 CO -0.00 -0.39 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.38 3kg9 s PHE 981 N 0.41 2.65 -0.09 1.40 0.08 -0.15 -0.16 117.98 122.12 3kg9 s PHE 981 Ca -0.15 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 3kg9 s PHE 981 Cb -0.17 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3kg9 s PHE 981 CO 0.07 0.56 0.20 -1.14 -0.10 0.00 0.00 175.22 174.81 3kg9 s GLN 982 N -3.15 0.16 0.27 0.44 0.74 0.10 -1.60 119.66 116.63 3kg9 s GLN 982 Ca 0.27 0.44 0.02 0.00 0.05 0.00 0.00 55.36 56.15 3kg9 s GLN 982 Cb -0.08 -0.12 -0.05 0.00 1.10 0.00 0.00 33.01 33.86 3kg9 s GLN 982 CO 0.17 -0.15 0.07 -1.54 -0.55 0.00 0.00 175.29 173.29 3kg9 s SER 983 N 1.11 1.62 -0.08 6.67 1.04 -0.18 -0.91 113.70 122.97 3kg9 s SER 983 Ca -0.08 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.02 3kg9 s SER 983 Cb -0.10 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3kg9 s SER 983 CO -0.07 -0.66 -0.16 -0.31 0.98 0.00 0.00 173.24 173.02 3kg9 s TYR 984 N -3.58 1.82 0.07 5.02 1.51 -1.26 -0.58 117.35 120.35 3kg9 s TYR 984 Ca 0.36 -0.71 0.09 0.00 -1.01 0.00 0.00 57.07 55.80 3kg9 s TYR 984 Cb 0.08 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3kg9 s TYR 984 CO 0.13 -0.32 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.50 3kg9 s LEU 985 N 0.56 2.21 0.28 -1.29 1.43 0.43 -4.85 118.68 117.45 3kg9 s LEU 985 Ca -0.16 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 3kg9 s LEU 985 Cb -0.17 -1.10 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 3kg9 s LEU 985 CO 0.05 0.18 0.03 0.42 0.23 0.00 0.00 176.35 177.26 3kg9 s THR 986 N -0.89 1.11 -1.48 5.49 -4.23 -0.55 -0.57 115.64 114.51 3kg9 s THR 986 Ca 0.10 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 3kg9 s THR 986 Cb -0.10 -2.56 0.11 0.00 1.34 0.00 0.00 72.50 71.30 3kg9 s THR 986 CO 0.03 -0.16 1.02 0.00 -0.54 0.00 0.00 174.62 174.97 3kg9 n ALA 987 N -0.54 1.50 -0.97 3.99 0.00 -1.26 -1.79 120.51 121.44 3kg9 n ALA 987 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.38 3kg9 n ALA 987 Cb 0.65 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 19.01 3kg9 n ALA 987 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kg9 n GLU 988 N -1.26 0.77 -3.32 0.00 0.28 -1.26 -3.43 120.64 112.42 3kg9 n GLU 988 Ca 0.03 -0.98 -0.03 0.00 -0.16 0.00 0.00 57.16 56.03 3kg9 n GLU 988 Cb 0.05 -0.69 -0.05 0.00 1.43 0.00 0.00 31.44 32.18 3kg9 n GLU 988 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3kg9 s SER 989 N -0.63 -0.62 0.54 -1.84 0.15 -0.74 -3.31 113.70 107.25 3kg9 s SER 989 Ca 0.03 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.16 3kg9 s SER 989 Cb 0.02 1.69 -0.06 0.00 -1.71 0.00 0.00 66.02 65.97 3kg9 s SER 989 CO 0.00 -0.27 1.24 -2.65 1.20 0.00 0.00 173.24 172.77 3kg9 n PRO 990 N 5.40 1.52 0.22 5.44 -0.02 -1.26 -1.48 135.00 144.82 3kg9 n PRO 990 Ca -0.04 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 3kg9 n PRO 990 Cb 0.50 -2.43 0.61 0.00 -0.02 0.00 0.00 33.50 32.17 3kg9 n PRO 990 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kg9 h ALA 991 N 1.30 1.97 0.00 3.55 0.00 -1.92 -1.64 119.26 122.52 3kg9 h ALA 991 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kg9 h ALA 991 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kg9 h ALA 991 CO 0.56 0.02 0.00 0.10 0.00 0.00 0.00 179.25 179.93 3kg9 h TYR 992 N 0.07 0.00 -0.40 0.00 -0.00 -1.94 -2.82 116.97 111.88 3kg9 h TYR 992 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.75 3kg9 h TYR 992 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.73 3kg9 h TYR 992 CO -0.00 0.00 0.23 -0.07 -0.00 0.00 0.00 178.16 178.32 3kg9 h LEU 993 N 0.00 0.47 -2.50 0.10 3.38 -1.61 -0.91 115.31 114.24 3kg9 h LEU 993 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kg9 h LEU 993 Cb 0.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kg9 h LEU 993 CO 0.00 0.37 0.00 0.77 0.09 0.00 0.00 178.44 179.67 3kg9 h SER 994 N 0.54 0.00 -0.65 -0.43 4.64 -1.52 -1.86 113.55 114.28 3kg9 h SER 994 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kg9 h SER 994 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3kg9 h SER 994 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3kg9 n GLN 995 N -2.93 3.99 -3.79 4.77 6.02 -0.35 -4.55 117.38 120.55 3kg9 n GLN 995 Ca -0.02 -2.95 -0.29 0.00 -0.01 0.00 0.00 57.00 53.73 3kg9 n GLN 995 Cb 0.10 -1.98 -0.12 0.00 1.02 0.00 0.00 30.24 29.26 3kg9 n GLN 995 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3kg9 s HIS 996 N -2.03 2.72 -0.17 1.08 2.46 -0.70 -0.46 115.29 118.19 3kg9 s HIS 996 Ca 0.52 -2.92 -0.03 0.00 0.47 0.00 0.00 55.06 53.10 3kg9 s HIS 996 Cb 0.35 -2.26 -0.02 0.00 -0.13 0.00 0.00 32.58 30.52 3kg9 s HIS 996 CO 0.23 -0.69 -0.06 -0.65 -2.47 0.00 0.00 174.74 171.10 3kg9 s GLN 997 N -0.53 3.49 -0.19 2.88 -0.21 -1.03 -2.50 119.66 121.58 3kg9 s GLN 997 Ca 0.22 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3kg9 s GLN 997 Cb -0.13 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.01 3kg9 s GLN 997 CO -0.09 0.06 -0.17 0.08 -2.12 0.00 0.00 175.29 173.05 3kg9 s VAL 998 N 0.80 2.26 -1.48 1.09 1.01 0.36 -0.32 120.40 124.12 3kg9 s VAL 998 Ca -0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3kg9 s VAL 998 Cb -0.15 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.31 3kg9 s VAL 998 CO 0.02 0.51 0.65 0.49 0.00 0.00 0.00 175.10 176.77 3kg9 n PHE 999 N 4.64 -1.84 -1.41 5.22 3.72 0.65 -2.05 117.46 126.39 3kg9 n PHE 999 Ca -0.20 0.80 -0.14 0.00 -0.05 0.00 0.00 57.45 57.87 3kg9 n PHE 999 Cb 0.50 -3.73 -0.06 0.00 -0.94 0.00 0.00 39.48 35.25 3kg9 n PHE 999 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3kg9 n ASN 1000N -2.90 -4.63 -4.29 4.37 4.05 -1.26 -4.99 115.26 105.61 3kg9 n ASN 1000Ca -0.16 0.33 -0.27 0.00 0.45 0.00 0.00 54.58 54.93 3kg9 n ASN 1000Cb 0.61 -3.33 -0.14 0.00 1.23 0.00 0.00 39.78 38.15 3kg9 n ASN 1000CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3kg9 s LYS 1001N -3.18 1.54 -0.31 1.20 1.02 -0.87 -5.09 119.74 114.05 3kg9 s LYS 1001Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.68 3kg9 s LYS 1001Cb 0.00 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3kg9 s LYS 1001CO 0.00 0.43 1.54 0.08 -0.92 0.00 0.00 175.35 176.48 3kg9 s VAL 1002N -0.81 3.79 -0.16 3.17 1.01 -1.26 -0.49 120.40 125.64 3kg9 s VAL 1002Ca 0.09 0.85 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 3kg9 s VAL 1002Cb -0.09 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 3kg9 s VAL 1002CO 0.02 -0.47 -0.15 -0.22 0.00 0.00 0.00 175.10 174.28 3kg9 s LEU 1003N 5.45 2.50 0.13 3.92 2.96 -1.04 -0.90 118.68 131.70 3kg9 s LEU 1003Ca 0.68 -0.47 -0.33 0.00 -0.22 0.00 0.00 54.13 53.79 3kg9 s LEU 1003Cb -0.20 -1.57 -0.12 0.00 0.50 0.00 0.00 46.19 44.80 3kg9 s LEU 1003CO 0.30 0.08 1.72 0.33 -1.32 0.00 0.00 176.35 177.46 3kg9 n PHE 1004N 4.11 2.49 -2.28 5.38 7.35 -0.12 -4.80 117.46 129.58 3kg9 n PHE 1004Ca -0.19 0.07 -0.37 0.00 -0.76 0.00 0.00 57.45 56.20 3kg9 n PHE 1004Cb 0.52 -2.64 -0.01 0.00 0.35 0.00 0.00 39.48 37.69 3kg9 n PHE 1004CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kg9 s PRO 1005N 1.84 3.79 0.31 -7.13 0.04 -1.26 -4.70 135.00 127.90 3kg9 s PRO 1005Ca 0.80 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.67 3kg9 s PRO 1005Cb -0.58 -2.41 0.85 0.00 0.04 0.00 0.00 34.50 32.40 3kg9 s PRO 1005CO 0.38 -0.52 1.72 0.00 0.04 0.00 0.00 177.00 178.62 3kg9 h ALA 1006N 2.07 1.72 0.00 8.56 0.00 -1.91 0.16 119.26 129.86 3kg9 h ALA 1006Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kg9 h ALA 1006Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kg9 h ALA 1006CO 0.60 -0.28 0.00 1.79 0.00 0.00 0.00 179.25 181.36 3kg9 h THR 1007N 0.55 0.00 -0.60 0.00 1.35 -1.91 -1.44 112.91 110.85 3kg9 h THR 1007Ca 0.63 -0.20 -0.07 0.00 -0.55 0.00 0.00 66.41 66.22 3kg9 h THR 1007Cb 1.19 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3kg9 h THR 1007CO -0.48 0.00 0.11 1.23 -0.25 0.00 0.00 175.52 176.12 3kg9 h GLY 1008N 1.28 1.07 1.00 5.82 0.00 -0.97 -1.14 103.07 110.13 3kg9 h GLY 1008Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 3kg9 h GLY 1008CO 0.00 0.65 -0.17 -0.97 0.00 0.00 0.00 176.54 176.05 3kg9 h TYR 1009N 0.90 0.91 -0.81 5.60 0.05 -1.32 -0.61 116.97 121.69 3kg9 h TYR 1009Ca 0.18 -0.22 0.05 0.00 0.05 0.00 0.00 58.73 58.79 3kg9 h TYR 1009Cb 0.41 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 3kg9 h TYR 1009CO 0.03 0.97 0.50 -0.07 -1.05 0.00 0.00 178.16 178.54 3kg9 h LEU 1010N 0.59 0.81 -0.70 3.88 3.38 -1.46 -1.56 115.31 120.24 3kg9 h LEU 1010Ca 0.09 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3kg9 h LEU 1010Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kg9 h LEU 1010CO 0.05 0.53 -0.27 -0.08 0.09 0.00 0.00 178.44 178.77 3kg9 h GLU 1011N 0.95 0.70 -0.37 1.13 4.57 -0.95 0.25 114.58 120.85 3kg9 h GLU 1011Ca 0.34 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3kg9 h GLU 1011Cb 0.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3kg9 h GLU 1011CO -0.15 0.90 0.22 0.82 -1.18 0.00 0.00 179.01 179.62 3kg9 h ILE 1012N 0.61 1.05 -0.50 2.32 2.04 -0.64 0.15 117.51 122.54 3kg9 h ILE 1012Ca 0.08 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3kg9 h ILE 1012Cb 0.77 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3kg9 h ILE 1012CO 0.06 0.08 0.30 0.00 0.00 0.00 0.00 178.15 178.60 3kg9 h ALA 1013N 1.16 0.64 -0.83 1.87 0.00 -0.92 -0.68 119.26 120.49 3kg9 h ALA 1013Ca 0.15 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kg9 h ALA 1013Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kg9 h ALA 1013CO -0.06 0.01 0.53 0.00 0.00 0.00 0.00 179.25 179.73 3kg9 h ALA 1014N 1.22 1.10 -0.43 0.00 0.00 -0.56 -1.09 119.26 119.49 3kg9 h ALA 1014Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kg9 h ALA 1014Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kg9 h ALA 1014CO -0.09 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.73 3kg9 h ALA 1015N 1.35 0.56 -0.57 0.00 0.00 -0.25 -0.69 119.26 119.66 3kg9 h ALA 1015Ca 0.33 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3kg9 h ALA 1015Cb 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3kg9 h ALA 1015CO -0.12 0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.79 3kg9 h VAL 1016N 0.56 0.86 -0.80 0.00 2.07 -0.76 -1.90 116.25 116.29 3kg9 h VAL 1016Ca 0.15 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3kg9 h VAL 1016Cb 0.12 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 3kg9 h VAL 1016CO -0.02 0.09 0.48 1.23 0.02 0.00 0.00 177.57 179.36 3kg9 h GLY 1017N 0.47 1.20 2.00 2.17 0.00 -0.52 -0.80 103.07 107.59 3kg9 h GLY 1017Ca 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3kg9 h GLY 1017CO -0.23 0.21 -0.21 1.70 0.00 0.00 0.00 176.54 178.01 3kg9 h LYS 1018N 0.86 0.00 0.00 4.80 1.63 -0.65 -2.43 116.57 120.79 3kg9 h LYS 1018Ca 0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 3kg9 h LYS 1018Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3kg9 h LYS 1018CO -0.19 0.21 0.00 -0.91 -3.45 0.00 0.00 179.45 175.12 3kg9 h ASN 1019N 0.00 0.00 -3.95 4.20 2.35 -0.37 -3.46 115.58 114.35 3kg9 h ASN 1019Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 3kg9 h ASN 1019Cb 0.49 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.91 3kg9 h ASN 1019CO 0.03 0.00 0.48 -0.76 -1.65 0.00 0.00 177.43 175.53 3kg9 s LEU 1020N -5.14 4.17 -0.42 1.61 1.43 -0.92 -4.96 118.68 114.46 3kg9 s LEU 1020Ca 0.07 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.15 3kg9 s LEU 1020Cb 0.09 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.26 3kg9 s LEU 1020CO 0.57 -0.64 1.30 -0.22 0.23 0.00 0.00 176.35 177.58 3kg9 s LEU 1021N -2.56 3.64 0.29 1.79 0.20 -1.26 -4.99 118.68 115.79 3kg9 s LEU 1021Ca 0.58 0.74 0.05 0.00 0.69 0.00 0.00 54.13 56.19 3kg9 s LEU 1021Cb -0.28 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 41.87 3kg9 s LEU 1021CO 0.35 -1.33 0.00 0.42 -0.29 0.00 0.00 176.35 175.51 3kg9 s THR 1022N 4.97 1.37 -0.52 3.68 -4.23 -1.26 -5.07 115.64 114.58 3kg9 s THR 1022Ca 0.56 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 3kg9 s THR 1022Cb -0.12 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.49 3kg9 s THR 1022CO 0.31 -0.17 0.95 0.35 -0.54 0.00 0.00 174.62 175.51 3kg9 n THR 1023N -0.61 2.49 -0.38 3.99 -2.24 -1.26 -4.90 114.28 111.37 3kg9 n THR 1023Ca -0.04 -5.28 0.00 0.00 -2.27 0.00 0.00 64.05 56.46 3kg9 n THR 1023Cb 0.65 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 3kg9 n THR 1023CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kg9 n GLY 1024N -0.21 0.75 3.80 3.38 0.00 -1.26 -5.04 105.19 106.60 3kg9 n GLY 1024Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 3kg9 n GLY 1024CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg9 s GLU 1025N -0.59 3.40 -0.09 1.61 8.01 -1.26 -4.98 118.70 124.79 3kg9 s GLU 1025Ca 0.00 1.29 -0.30 0.00 0.01 0.00 0.00 54.97 55.98 3kg9 s GLU 1025Cb 0.00 -2.04 -0.02 0.00 -4.31 0.00 0.00 34.13 27.76 3kg9 s GLU 1025CO 0.00 -0.76 1.07 -1.14 0.01 0.00 0.00 175.26 174.44 3kg9 s GLN 1026N -3.80 4.40 0.04 1.61 2.00 -0.44 -4.88 119.66 118.59 3kg9 s GLN 1026Ca 0.66 1.48 -0.30 0.00 -2.00 0.00 0.00 55.36 55.19 3kg9 s GLN 1026Cb -0.17 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 3kg9 s GLN 1026CO 0.32 -0.36 1.08 0.08 -0.50 0.00 0.00 175.29 175.92 3kg9 s VAL 1027N 2.07 4.44 -0.16 1.34 1.01 -1.26 -0.08 120.40 127.75 3kg9 s VAL 1027Ca 0.51 1.78 0.01 0.00 0.00 0.00 0.00 61.98 64.28 3kg9 s VAL 1027Cb -0.20 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3kg9 s VAL 1027CO 0.19 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.56 3kg9 s VAL 1028N 0.92 2.17 -0.17 2.92 1.01 0.22 -4.52 120.40 122.95 3kg9 s VAL 1028Ca 0.55 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 3kg9 s VAL 1028Cb -0.25 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3kg9 s VAL 1028CO 0.29 0.54 0.32 -0.69 0.00 0.00 0.00 175.10 175.55 3kg9 s VAL 1029N 1.08 5.28 0.08 2.92 1.01 -0.45 -1.65 120.40 128.68 3kg9 s VAL 1029Ca -0.00 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3kg9 s VAL 1029Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3kg9 s VAL 1029CO -0.07 0.36 -0.05 -0.94 0.00 0.00 0.00 175.10 174.39 3kg9 s SER 1030N 0.61 0.93 -1.32 3.32 1.04 0.16 -0.42 113.70 118.02 3kg9 s SER 1030Ca 0.17 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3kg9 s SER 1030Cb -0.13 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 3kg9 s SER 1030CO 0.05 -0.51 0.56 0.47 0.98 0.00 0.00 173.24 174.79 3kg9 n ASP 1031N 0.00 -1.71 -4.73 7.02 8.00 -0.38 -0.61 116.55 124.14 3kg9 n ASP 1031Ca -0.13 -0.98 -0.39 0.00 0.71 0.00 0.00 54.79 54.00 3kg9 n ASP 1031Cb 0.61 -3.31 -0.05 0.00 -0.02 0.00 0.00 41.12 38.35 3kg9 n ASP 1031CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kg9 s VAL 1032N -3.78 4.98 -0.05 2.53 1.01 -0.71 -4.14 120.40 120.23 3kg9 s VAL 1032Ca 0.12 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.51 3kg9 s VAL 1032Cb -0.04 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3kg9 s VAL 1032CO 0.87 0.31 -0.07 0.42 0.00 0.00 0.00 175.10 176.62 3kg9 s THR 1033N 0.44 0.74 -0.39 3.92 -4.23 -0.34 -1.74 115.64 114.04 3kg9 s THR 1033Ca 0.35 -0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 3kg9 s THR 1033Cb -0.18 -0.71 0.01 0.00 1.34 0.00 0.00 72.50 72.96 3kg9 s THR 1033CO 0.18 0.26 0.57 -0.63 -0.54 0.00 0.00 174.62 174.47 3kg9 s ILE 1034N 0.73 4.93 -0.03 2.99 1.01 0.77 -1.79 121.20 129.81 3kg9 s ILE 1034Ca -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 3kg9 s ILE 1034Cb -0.14 -4.08 -0.28 0.00 0.01 0.00 0.00 42.46 37.98 3kg9 s ILE 1034CO 0.01 -0.39 0.74 0.58 0.00 0.00 0.00 174.94 175.89 3kg9 h VAL 1035N 5.73 1.02 -2.27 2.92 2.07 -0.63 -3.47 116.25 121.62 3kg9 h VAL 1035Ca -0.27 -2.68 -0.04 0.00 0.82 0.00 0.00 66.70 64.54 3kg9 h VAL 1035Cb 1.11 2.70 -0.23 0.00 -1.52 0.00 0.00 31.29 33.35 3kg9 h VAL 1035CO 0.83 0.81 -0.11 -0.60 0.02 0.00 0.00 177.57 178.52 3kg9 s ARG 1036N -2.60 0.59 0.70 1.57 3.52 -0.99 -5.02 118.95 116.72 3kg9 s ARG 1036Ca -0.12 1.03 -0.16 0.00 -0.13 0.00 0.00 55.73 56.36 3kg9 s ARG 1036Cb 0.07 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 3kg9 s ARG 1036CO 0.84 -0.15 1.19 0.20 -0.81 0.00 0.00 175.30 176.57 3kg9 s GLY 1037N 1.46 2.37 -0.37 8.12 0.00 -1.26 -4.47 107.32 113.18 3kg9 s GLY 1037Ca -0.09 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 3kg9 s GLY 1037CO -0.16 1.23 0.13 -2.27 0.00 0.00 0.00 173.10 172.04 3kg9 s LEU 1038N -4.94 4.68 -0.14 0.66 2.96 -1.26 -5.01 118.68 115.64 3kg9 s LEU 1038Ca 0.73 -1.60 -0.19 0.00 -0.22 0.00 0.00 54.13 52.85 3kg9 s LEU 1038Cb -0.28 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3kg9 s LEU 1038CO 0.43 -0.42 0.53 -0.69 -1.32 0.00 0.00 176.35 174.88 3kg9 s VAL 1039N 1.25 5.13 -0.51 1.68 1.01 -1.26 -0.95 120.40 126.75 3kg9 s VAL 1039Ca 0.02 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 3kg9 s VAL 1039Cb -0.21 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.42 3kg9 s VAL 1039CO -0.01 0.26 0.44 -0.63 0.00 0.00 0.00 175.10 175.15 3kg9 s ILE 1040N 1.03 4.88 0.85 2.22 1.01 -0.08 -5.00 121.20 126.11 3kg9 s ILE 1040Ca 0.27 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.26 3kg9 s ILE 1040Cb -0.16 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.28 3kg9 s ILE 1040CO 0.11 -0.81 1.09 -2.84 0.00 0.00 0.00 174.94 172.49 3kg9 s PRO 1041N 1.52 1.62 0.61 2.79 0.02 -1.26 -4.32 135.00 135.98 3kg9 s PRO 1041Ca 0.04 0.92 -0.19 0.00 0.02 0.00 0.00 61.00 61.79 3kg9 s PRO 1041Cb -0.28 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3kg9 s PRO 1041CO 0.02 -2.01 1.31 -1.21 -0.33 0.00 0.00 177.00 174.77 3kg9 s GLU 1042N -4.94 2.80 -1.80 5.54 2.02 -1.26 -3.18 118.70 117.88 3kg9 s GLU 1042Ca 0.63 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.71 3kg9 s GLU 1042Cb -0.17 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.06 3kg9 s GLU 1042CO 0.56 -1.41 0.00 0.25 0.02 0.00 0.00 175.26 174.68 3kg9 n THR 1043N -1.57 -0.11 -4.71 3.63 -2.24 -1.26 -4.95 114.28 103.06 3kg9 n THR 1043Ca 0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.61 3kg9 n THR 1043Cb 0.47 -1.77 -0.13 0.00 -2.10 0.00 0.00 70.33 66.80 3kg9 n THR 1043CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kg9 s ASP 1044N -2.42 3.62 -0.22 3.42 2.15 -1.19 -5.12 116.67 116.91 3kg9 s ASP 1044Ca 0.00 -0.48 -0.06 0.00 0.43 0.00 0.00 52.55 52.44 3kg9 s ASP 1044Cb 0.00 -0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 42.08 3kg9 s ASP 1044CO 0.00 0.25 0.03 -0.63 -0.17 0.00 0.00 175.17 174.66 3kg9 s ILE 1045N -0.90 4.13 -0.19 4.11 1.01 -1.26 -4.40 121.20 123.70 3kg9 s ILE 1045Ca 0.14 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 3kg9 s ILE 1045Cb -0.10 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3kg9 s ILE 1045CO 0.04 0.39 0.34 -0.54 0.00 0.00 0.00 174.94 175.17 3kg9 s LYS 1046N 1.28 4.19 -0.13 2.79 -0.14 0.26 -4.18 119.74 123.82 3kg9 s LYS 1046Ca 0.04 0.12 -0.19 0.00 -1.36 0.00 0.00 55.97 54.58 3kg9 s LYS 1046Cb -0.15 -3.50 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 3kg9 s LYS 1046CO 0.02 0.06 0.52 0.99 -0.76 0.00 0.00 175.35 176.19 3kg9 s THR 1047N 1.01 5.15 -0.19 2.17 2.01 -0.07 -0.43 115.64 125.29 3kg9 s THR 1047Ca 0.17 1.04 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 3kg9 s THR 1047Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3kg9 s THR 1047CO 0.06 0.28 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 3kg9 s VAL 1048N 0.87 2.86 -0.14 3.82 1.01 0.26 -1.36 120.40 127.72 3kg9 s VAL 1048Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3kg9 s VAL 1048Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3kg9 s VAL 1048CO 0.11 0.48 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 3kg9 s GLN 1049N 1.22 3.29 -0.22 2.72 -0.21 -0.02 -1.01 119.66 125.42 3kg9 s GLN 1049Ca 0.02 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.60 3kg9 s GLN 1049Cb -0.14 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 3kg9 s GLN 1049CO -0.05 0.12 0.07 0.99 -2.12 0.00 0.00 175.29 174.30 3kg9 s THR 1050N 0.57 4.56 -0.20 -0.19 2.01 -0.63 -0.73 115.64 121.04 3kg9 s THR 1050Ca -0.09 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3kg9 s THR 1050Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.25 3kg9 s THR 1050CO 0.03 0.39 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.56 3kg9 s VAL 1051N 1.07 2.88 -0.18 3.82 1.01 0.29 -0.98 120.40 128.31 3kg9 s VAL 1051Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3kg9 s VAL 1051Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3kg9 s VAL 1051CO 0.03 0.47 -0.10 -0.63 0.00 0.00 0.00 175.10 174.88 3kg9 s ILE 1052N 1.33 3.12 -0.08 2.22 1.09 0.13 -1.09 121.20 127.91 3kg9 s ILE 1052Ca 0.04 -0.60 0.02 0.00 -1.10 0.00 0.00 60.65 59.00 3kg9 s ILE 1052Cb -0.14 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.87 3kg9 s ILE 1052CO -0.06 0.48 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.70 3kg9 s SER 1053N 0.94 4.15 -0.30 3.58 0.01 0.10 -0.44 113.70 121.74 3kg9 s SER 1053Ca -0.02 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 56.81 3kg9 s SER 1053Cb -0.15 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 3kg9 s SER 1053CO -0.00 0.28 0.71 -0.89 0.41 0.00 0.00 173.24 173.75 3kg9 s THR 1054N -0.33 4.87 0.02 1.44 2.01 -0.43 -0.83 115.64 122.39 3kg9 s THR 1054Ca 0.03 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.06 3kg9 s THR 1054Cb -0.13 -4.07 -0.28 0.00 0.01 0.00 0.00 72.50 68.03 3kg9 s THR 1054CO 0.02 -0.17 0.94 -0.07 -0.69 0.00 0.00 174.62 174.65 3kg9 h LEU 1055N 9.27 0.43 0.00 4.42 3.38 -1.07 -3.49 115.31 128.25 3kg9 h LEU 1055Ca -0.25 -0.54 0.11 0.00 0.09 0.00 0.00 57.88 57.28 3kg9 h LEU 1055Cb 1.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3kg9 h LEU 1055CO 0.84 1.44 0.43 -1.84 0.09 0.00 0.00 178.44 179.40 3kg9 n GLU 1056N -3.49 0.53 -1.68 1.13 0.28 -1.15 -5.02 120.64 111.24 3kg9 n GLU 1056Ca -0.14 -1.17 -0.49 0.00 -0.16 0.00 0.00 57.16 55.19 3kg9 n GLU 1056Cb 1.04 1.57 -0.05 0.00 1.43 0.00 0.00 31.44 35.44 3kg9 n GLU 1056CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3kg9 n ASN 1057N -1.15 3.06 -2.23 -1.84 5.15 -1.26 -2.05 115.26 114.94 3kg9 n ASN 1057Ca -0.02 1.03 -0.19 0.00 -0.60 0.00 0.00 54.58 54.79 3kg9 n ASN 1057Cb 0.44 -1.34 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 3kg9 n ASN 1057CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kg9 n ASN 1058N 5.31 -5.50 -3.82 1.20 5.03 -1.26 -4.98 115.26 111.24 3kg9 n ASN 1058Ca 0.21 0.12 -0.18 0.00 0.87 0.00 0.00 54.58 55.60 3kg9 n ASN 1058Cb 0.26 -4.65 -0.16 0.00 -1.02 0.00 0.00 39.78 34.21 3kg9 n ASN 1058CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3kg9 s SER 1059N -2.17 0.70 0.07 6.41 0.15 -0.87 -3.88 113.70 114.11 3kg9 s SER 1059Ca 0.00 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.64 3kg9 s SER 1059Cb 0.00 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 3kg9 s SER 1059CO 0.00 -0.11 -0.10 -0.31 1.20 0.00 0.00 173.24 173.92 3kg9 s TYR 1060N 1.18 0.95 0.02 3.44 1.51 0.13 -0.40 117.35 124.17 3kg9 s TYR 1060Ca -0.07 -0.58 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 3kg9 s TYR 1060Cb -0.13 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 3kg9 s TYR 1060CO -0.02 -0.03 -0.21 0.21 -1.11 0.00 0.00 175.55 174.40 3kg9 s LYS 1061N -2.21 2.07 0.06 -0.62 2.20 -0.01 -1.33 119.74 119.89 3kg9 s LYS 1061Ca -0.01 -0.96 0.05 0.00 -0.36 0.00 0.00 55.97 54.68 3kg9 s LYS 1061Cb -0.06 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.09 3kg9 s LYS 1061CO 0.00 0.55 -0.13 -0.48 -0.36 0.00 0.00 175.35 174.93 3kg9 s LEU 1062N -1.15 2.24 -0.02 5.43 0.05 -0.09 -0.72 118.68 124.41 3kg9 s LEU 1062Ca 0.13 -0.55 0.01 0.00 0.05 0.00 0.00 54.13 53.77 3kg9 s LEU 1062Cb -0.10 -0.48 0.01 0.00 -2.05 0.00 0.00 46.19 43.57 3kg9 s LEU 1062CO 0.03 -0.06 -0.03 -1.61 -0.55 0.00 0.00 176.35 174.13 3kg9 s GLU 1063N -1.51 0.41 -0.17 1.48 2.02 -0.25 -1.35 118.70 119.32 3kg9 s GLU 1063Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.89 3kg9 s GLU 1063Cb -0.09 -0.45 0.01 0.00 0.10 0.00 0.00 34.13 33.69 3kg9 s GLU 1063CO 0.02 0.00 -0.16 0.42 0.02 0.00 0.00 175.26 175.56 3kg9 s ILE 1064N 0.37 2.46 0.27 -1.63 1.01 0.02 -0.55 121.20 123.15 3kg9 s ILE 1064Ca -0.04 -0.82 0.12 0.00 0.00 0.00 0.00 60.65 59.91 3kg9 s ILE 1064Cb -0.07 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3kg9 s ILE 1064CO -0.01 0.51 -0.20 -0.36 0.00 0.00 0.00 174.94 174.89 3kg9 s PHE 1065N 1.11 2.25 0.10 3.97 0.08 0.10 -0.43 117.98 125.16 3kg9 s PHE 1065Ca 0.00 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.70 3kg9 s PHE 1065Cb -0.14 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 3kg9 s PHE 1065CO -0.06 0.67 -0.00 -1.54 -0.10 0.00 0.00 175.22 174.19 3kg9 s SER 1066N -3.43 0.65 0.15 1.36 1.04 -0.23 -0.84 113.70 112.40 3kg9 s SER 1066Ca 0.29 -1.09 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 3kg9 s SER 1066Cb -0.05 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.29 3kg9 s SER 1066CO 0.14 -0.61 0.36 0.28 0.98 0.00 0.00 173.24 174.39 3kg9 s THR 1067N -3.87 0.07 -0.37 2.02 -1.32 -0.46 -1.00 115.64 110.70 3kg9 s THR 1067Ca 0.16 -0.93 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 3kg9 s THR 1067Cb 0.07 -1.46 0.03 0.00 -1.51 0.00 0.00 72.50 69.63 3kg9 s THR 1067CO -0.03 -0.32 0.20 -0.44 -2.21 0.00 0.00 174.62 171.81 3kg9 s SER 1068N -2.87 5.69 -1.07 8.08 0.01 -1.26 -0.89 113.70 121.38 3kg9 s SER 1068Ca 0.08 -1.00 -0.19 0.00 1.31 0.00 0.00 55.95 56.15 3kg9 s SER 1068Cb 0.02 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.35 3kg9 s SER 1068CO -0.07 -0.38 1.37 -0.70 0.41 0.00 0.00 173.24 173.88 3kg9 s GLU 1069N 1.54 3.76 0.00 12.44 2.12 -1.26 -4.73 118.70 132.57 3kg9 s GLU 1069Ca 0.02 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.54 3kg9 s GLU 1069Cb -0.19 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.04 3kg9 s GLU 1069CO 0.06 -1.96 0.00 0.00 -0.54 0.00 0.00 175.26 172.82 3kg9 n ALA 1075N 7.25 0.00 0.38 6.30 0.00 -1.26 -4.99 120.51 128.19 3kg9 n ALA 1075Ca 0.33 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.86 3kg9 n ALA 1075Cb 0.48 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.18 3kg9 n ALA 1075CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kg9 n ASN 1076N -0.45 2.84 -4.46 0.00 3.02 -1.26 -4.86 115.26 110.08 3kg9 n ASN 1076Ca 0.00 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 3kg9 n ASN 1076Cb 0.00 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 3kg9 n ASN 1076CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kg9 s GLN 1077N -1.35 3.09 0.03 3.52 -1.52 -1.26 -5.06 119.66 117.11 3kg9 s GLN 1077Ca 0.36 -0.92 -0.18 0.00 -1.95 0.00 0.00 55.36 52.66 3kg9 s GLN 1077Cb 0.19 -3.87 -0.06 0.00 -0.22 0.00 0.00 33.01 29.05 3kg9 s GLN 1077CO 0.26 -0.65 0.53 -1.58 -0.25 0.00 0.00 175.29 173.60 3kg9 s TRP 1078N 1.66 3.75 -0.20 0.91 0.52 -1.26 -4.66 118.94 119.65 3kg9 s TRP 1078Ca 0.05 1.17 -0.06 0.00 0.02 0.00 0.00 56.10 57.27 3kg9 s TRP 1078Cb -0.19 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 3kg9 s TRP 1078CO 0.09 0.53 0.04 0.99 0.02 0.00 0.00 176.95 178.62 3kg9 s THR 1079N -0.81 4.36 -0.06 2.01 2.01 -0.17 -4.92 115.64 118.05 3kg9 s THR 1079Ca 0.28 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 3kg9 s THR 1079Cb -0.18 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3kg9 s THR 1079CO 0.17 0.42 1.02 -0.22 -0.69 0.00 0.00 174.62 175.32 3kg9 s LEU 1080N 0.86 4.29 -0.16 4.42 2.96 -1.26 -1.06 118.68 128.73 3kg9 s LEU 1080Ca 0.02 1.62 0.04 0.00 -0.22 0.00 0.00 54.13 55.60 3kg9 s LEU 1080Cb -0.14 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 3kg9 s LEU 1080CO 0.02 -0.40 -0.09 1.41 -1.32 0.00 0.00 176.35 175.97 3kg9 n HIS 1081N 4.63 0.00 -3.66 5.38 8.25 0.43 -4.20 115.22 126.05 3kg9 n HIS 1081Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3kg9 n HIS 1081Cb 0.49 -0.65 -0.07 0.00 1.12 0.00 0.00 29.99 30.88 3kg9 n HIS 1081CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg9 s ALA 1082N -2.33 -1.09 0.04 -1.41 0.00 -1.15 0.11 121.76 115.94 3kg9 s ALA 1082Ca -0.18 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 3kg9 s ALA 1082Cb 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3kg9 s ALA 1082CO 0.44 -0.41 -0.04 -1.83 0.00 0.00 0.00 175.76 173.92 3kg9 s GLU 1083N -2.08 0.50 0.10 0.00 -1.05 -0.74 -0.80 118.70 114.64 3kg9 s GLU 1083Ca -0.08 -0.95 -0.12 0.00 -0.15 0.00 0.00 54.97 53.67 3kg9 s GLU 1083Cb -0.02 0.10 0.04 0.00 -0.44 0.00 0.00 34.13 33.81 3kg9 s GLU 1083CO 0.01 -0.07 0.59 0.41 0.95 0.00 0.00 175.26 177.15 3kg9 n GLY 1084N 0.79 0.89 3.19 -3.83 0.00 -0.46 -1.20 105.19 104.57 3kg9 n GLY 1084Ca -0.18 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3kg9 n GLY 1084CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg9 s LYS 1085N -2.03 0.88 -0.03 1.61 1.02 0.22 -0.91 119.74 120.50 3kg9 s LYS 1085Ca 0.13 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3kg9 s LYS 1085Cb -0.02 -0.46 0.01 0.00 -0.52 0.00 0.00 37.83 36.85 3kg9 s LYS 1085CO 0.03 0.05 -0.05 0.42 -0.92 0.00 0.00 175.35 174.88 3kg9 s ILE 1086N -2.91 0.49 0.28 2.17 1.01 -0.44 -0.67 121.20 121.12 3kg9 s ILE 1086Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3kg9 s ILE 1086Cb 0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 3kg9 s ILE 1086CO -0.01 0.19 0.23 0.72 0.00 0.00 0.00 174.94 176.07 3kg9 s PHE 1087N 0.52 1.45 -0.04 3.97 -0.12 -0.66 -0.70 117.98 122.41 3kg9 s PHE 1087Ca -0.07 -1.51 0.03 0.00 -0.05 0.00 0.00 56.93 55.34 3kg9 s PHE 1087Cb -0.10 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 3kg9 s PHE 1087CO -0.00 -0.79 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.74 3kg9 s LEU 1088N -3.27 2.86 -0.31 -1.99 1.43 -1.25 -0.61 118.68 115.53 3kg9 s LEU 1088Ca 0.39 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3kg9 s LEU 1088Cb 0.04 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3kg9 s LEU 1088CO 0.21 0.34 0.07 -0.62 0.23 0.00 0.00 176.35 176.58 3kg9 s ASP 1089N -0.84 5.12 0.00 2.29 2.15 0.88 -4.95 116.67 121.32 3kg9 s ASP 1089Ca 0.12 -0.95 0.22 0.00 0.43 0.00 0.00 52.55 52.37 3kg9 s ASP 1089Cb -0.11 -1.84 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 3kg9 s ASP 1089CO 0.01 -0.25 1.06 -1.54 -0.17 0.00 0.00 175.17 174.28 3kg9 n SER 1090N 4.81 1.57 -4.81 -0.34 3.41 -1.26 -1.32 113.62 115.68 3kg9 n SER 1090Ca -0.14 -1.26 -0.32 0.00 -0.26 0.00 0.00 58.87 56.88 3kg9 n SER 1090Cb 0.46 0.64 0.01 0.00 -0.26 0.00 0.00 64.21 65.06 3kg9 n SER 1090CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kg9 s THR 1091N -2.68 3.89 -0.52 6.66 -4.23 -1.26 -4.89 115.64 112.62 3kg9 s THR 1091Ca 0.15 0.86 -0.37 0.00 -1.18 0.00 0.00 61.69 61.15 3kg9 s THR 1091Cb 0.17 -3.41 -0.16 0.00 1.34 0.00 0.00 72.50 70.45 3kg9 s THR 1091CO 0.68 -0.57 2.28 1.07 -0.54 0.00 0.00 174.62 177.54 3kg9 n THR 1092N -2.14 0.07 0.00 3.99 5.66 -1.26 -4.89 114.28 115.71 3kg9 n THR 1092Ca 0.08 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3kg9 n THR 1092Cb 0.53 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 3kg9 n THR 1092CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3kg9 n ASN 1093N 9.61 0.00 -3.74 1.09 5.15 -1.26 -4.97 115.26 121.13 3kg9 n ASN 1093Ca 0.50 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 54.25 3kg9 n ASN 1093Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 3kg9 n ASN 1093CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3kg9 n THR 1094N -0.01 -3.94 -2.53 -0.44 5.66 -1.26 -4.90 114.28 106.87 3kg9 n THR 1094Ca 0.00 -0.07 -0.42 0.00 -3.05 0.00 0.00 64.05 60.51 3kg9 n THR 1094Cb 0.00 -3.27 -0.03 0.00 -1.55 0.00 0.00 70.33 65.48 3kg9 n THR 1094CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kg9 s LYS 1095N -4.90 4.42 0.56 1.09 1.02 -1.26 -5.00 119.74 115.67 3kg9 s LYS 1095Ca 0.03 1.61 -0.20 0.00 0.02 0.00 0.00 55.97 57.43 3kg9 s LYS 1095Cb -0.01 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 33.76 3kg9 s LYS 1095CO 0.89 -0.30 1.00 0.00 -0.92 0.00 0.00 175.35 176.02 3kg9 n ALA 1096N 4.56 0.28 -1.80 5.17 0.00 -1.26 -4.81 120.51 122.65 3kg9 n ALA 1096Ca 0.09 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 3kg9 n ALA 1096Cb 0.48 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 3kg9 n ALA 1096CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kg9 s LYS 1097N -2.61 3.94 0.10 0.00 1.02 -1.26 -4.73 119.74 116.19 3kg9 s LYS 1097Ca 0.73 1.33 -0.23 0.00 0.02 0.00 0.00 55.97 57.82 3kg9 s LYS 1097Cb -0.44 -2.17 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 3kg9 s LYS 1097CO 0.49 -0.31 0.69 0.42 -0.92 0.00 0.00 175.35 175.72 3kg9 s ILE 1098N -1.98 4.59 -1.07 2.17 -1.09 0.19 -4.99 121.20 119.02 3kg9 s ILE 1098Ca 0.65 1.49 -0.22 0.00 -2.23 0.00 0.00 60.65 60.34 3kg9 s ILE 1098Cb -0.15 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3kg9 s ILE 1098CO 0.19 0.50 1.61 -0.62 -1.23 0.00 0.00 174.94 175.39 3kg9 s ASP 1099N -0.89 6.29 0.20 3.58 -1.08 -1.26 -4.32 116.67 119.19 3kg9 s ASP 1099Ca 0.33 -1.55 -0.10 0.00 -0.52 0.00 0.00 52.55 50.71 3kg9 s ASP 1099Cb -0.21 -2.57 0.14 0.00 -1.46 0.00 0.00 42.92 38.81 3kg9 s ASP 1099CO 0.23 -1.70 1.82 0.25 0.52 0.00 0.00 175.17 176.28 3kg9 h LEU 1100N 13.75 0.90 -1.12 -1.34 5.85 -1.91 -2.22 115.31 129.23 3kg9 h LEU 1100Ca 0.24 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.00 3kg9 h LEU 1100Cb 0.98 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 3kg9 h LEU 1100CO 1.39 0.73 0.61 -0.08 -0.34 0.00 0.00 178.44 180.75 3kg9 h GLU 1101N 1.00 0.83 -0.20 1.25 4.22 -1.93 0.22 114.58 119.98 3kg9 h GLU 1101Ca 0.26 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.61 3kg9 h GLU 1101Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3kg9 h GLU 1101CO -0.04 0.55 -0.03 0.37 -2.18 0.00 0.00 179.01 177.67 3kg9 h GLN 1102N 0.86 0.37 -0.55 1.92 5.75 -1.81 0.08 115.11 121.73 3kg9 h GLN 1102Ca 0.49 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 3kg9 h GLN 1102Cb 0.61 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3kg9 h GLN 1102CO -0.25 0.61 0.27 1.88 -2.65 0.00 0.00 178.83 178.69 3kg9 h TYR 1103N 0.10 0.75 -0.69 3.99 0.05 -1.19 -0.26 116.97 119.71 3kg9 h TYR 1103Ca 0.05 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 3kg9 h TYR 1103Cb 0.47 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3kg9 h TYR 1103CO 0.05 0.55 0.19 1.96 -1.05 0.00 0.00 178.16 179.86 3kg9 h GLN 1104N 0.77 1.09 -0.28 4.88 4.20 -0.62 -0.38 115.11 124.77 3kg9 h GLN 1104Ca 0.19 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3kg9 h GLN 1104Cb 0.07 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kg9 h GLN 1104CO -0.03 0.94 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.97 3kg9 h ARG 1105N 1.04 0.50 0.00 1.46 2.43 -0.44 -3.33 114.38 116.04 3kg9 h ARG 1105Ca 0.22 -0.17 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3kg9 h ARG 1105Cb 0.33 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3kg9 h ARG 1105CO -0.00 0.67 -0.83 0.93 -1.51 0.00 0.00 179.97 179.22 3kg9 h GLU 1106N 0.28 0.00 -4.08 0.20 4.39 -0.88 -3.36 114.58 111.13 3kg9 h GLU 1106Ca 0.08 0.00 -0.77 0.00 0.34 0.00 0.00 59.36 59.01 3kg9 h GLU 1106Cb 0.45 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.86 3kg9 h GLU 1106CO 0.02 0.83 0.78 0.00 -1.16 0.00 0.00 179.01 179.48 3kg9 n SER 1108N 4.02 0.37 -4.60 0.00 3.41 -1.15 -4.47 113.62 111.20 3kg9 n SER 1108Ca 0.28 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 3kg9 n SER 1108Cb 0.41 1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.72 3kg9 n SER 1108CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kg9 s GLN 1109N -3.38 3.73 0.17 4.33 -0.21 -0.94 -4.90 119.66 118.46 3kg9 s GLN 1109Ca -0.03 0.53 -0.31 0.00 0.02 0.00 0.00 55.36 55.57 3kg9 s GLN 1109Cb 0.13 -3.88 -0.09 0.00 1.00 0.00 0.00 33.01 30.17 3kg9 s GLN 1109CO 0.86 -1.25 1.49 0.08 -2.12 0.00 0.00 175.29 174.36 3kg9 s VAL 1110N 4.10 2.81 -0.16 1.09 1.01 -1.26 -0.85 120.40 127.14 3kg9 s VAL 1110Ca 0.44 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 3kg9 s VAL 1110Cb -0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3kg9 s VAL 1110CO 0.27 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 3kg9 s ILE 1111N 0.87 4.34 -0.25 2.22 -1.09 -0.21 -4.92 121.20 122.16 3kg9 s ILE 1111Ca 0.66 -0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 58.60 3kg9 s ILE 1111Cb -0.41 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 3kg9 s ILE 1111CO 0.34 0.48 1.67 -0.62 -1.23 0.00 0.00 174.94 175.58 3kg9 s ASP 1112N 0.30 6.24 0.25 3.58 -1.08 -1.26 -4.44 116.67 120.25 3kg9 s ASP 1112Ca 0.00 1.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.56 3kg9 s ASP 1112Cb -0.13 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.09 3kg9 s ASP 1112CO 0.02 -1.39 1.65 0.40 0.52 0.00 0.00 175.17 176.36 3kg9 h ILE 1113N 6.34 1.29 -0.92 4.11 2.04 -1.94 -0.30 117.51 128.12 3kg9 h ILE 1113Ca -0.34 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 3kg9 h ILE 1113Cb 1.16 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3kg9 h ILE 1113CO 1.01 0.46 0.54 1.56 0.00 0.00 0.00 178.15 181.72 3kg9 h GLN 1114N 0.46 1.26 -0.30 2.37 4.20 -1.97 -2.16 115.11 118.97 3kg9 h GLN 1114Ca 0.05 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 3kg9 h GLN 1114Cb 0.80 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3kg9 h GLN 1114CO 0.07 0.89 -0.40 0.37 -0.67 0.00 0.00 178.83 179.09 3kg9 h GLN 1115N 1.28 0.73 -0.46 1.46 5.75 -1.84 -1.34 115.11 120.68 3kg9 h GLN 1115Ca 0.33 -0.38 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 3kg9 h GLN 1115Cb -0.03 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.44 3kg9 h GLN 1115CO -0.06 0.99 -0.13 1.25 -2.65 0.00 0.00 178.83 178.24 3kg9 h HIS 1116N 0.59 -0.28 -0.10 3.99 2.76 -0.72 0.65 115.15 122.05 3kg9 h HIS 1116Ca 0.05 0.04 -0.23 0.00 -2.20 0.00 0.00 60.37 58.03 3kg9 h HIS 1116Cb 0.94 0.19 0.01 0.00 1.55 0.00 0.00 27.41 30.11 3kg9 h HIS 1116CO 0.05 -0.21 -0.86 1.88 -1.30 0.00 0.00 177.93 177.48 3kg9 h TYR 1117N -0.01 1.02 -0.66 5.26 0.05 -1.22 -2.41 116.97 118.99 3kg9 h TYR 1117Ca 0.22 -0.48 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 3kg9 h TYR 1117Cb 0.35 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 3kg9 h TYR 1117CO -0.41 1.31 0.21 1.96 -1.05 0.00 0.00 178.16 180.19 3kg9 h GLN 1118N 0.47 1.00 -0.32 4.88 1.08 -1.12 -1.09 115.11 120.02 3kg9 h GLN 1118Ca -0.08 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 3kg9 h GLN 1118Cb 1.50 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 3kg9 h GLN 1118CO 0.17 0.86 0.07 0.37 -0.95 0.00 0.00 178.83 179.35 3kg9 h GLN 1119N 0.97 0.51 -0.34 1.46 -0.00 -0.81 -0.41 115.11 116.50 3kg9 h GLN 1119Ca 0.22 -0.13 0.05 0.00 -0.00 0.00 0.00 58.65 58.79 3kg9 h GLN 1119Cb 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 3kg9 h GLN 1119CO -0.01 0.58 0.06 0.74 0.00 0.00 0.00 178.83 180.20 3kg9 h PHE 1120N 0.35 0.10 -0.72 3.99 0.04 -1.31 -2.87 116.94 116.53 3kg9 h PHE 1120Ca 0.10 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3kg9 h PHE 1120Cb 0.30 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3kg9 h PHE 1120CO 0.02 0.01 0.46 -0.22 -0.60 0.00 0.00 178.31 177.98 3kg9 h LYS 1121N 0.18 0.88 0.00 1.51 3.64 -0.48 -1.25 116.57 121.05 3kg9 h LYS 1121Ca 0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3kg9 h LYS 1121Cb 0.18 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3kg9 h LYS 1121CO -0.21 0.58 -0.05 0.66 -2.27 0.00 0.00 179.45 178.16 3kg9 h SER 1122N 0.90 0.00 0.26 4.20 4.64 -0.89 -1.08 113.55 121.57 3kg9 h SER 1122Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3kg9 h SER 1122Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3kg9 h SER 1122CO -0.10 0.05 -0.47 0.54 -0.87 0.00 0.00 176.83 175.98 3kg9 n ARG 1123N -3.31 0.50 0.00 4.77 1.74 -0.57 -4.95 116.66 114.83 3kg9 n ARG 1123Ca -0.01 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 3kg9 n ARG 1123Cb 0.21 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3kg9 n ARG 1123CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kg9 n GLY 1124N 1.43 0.85 3.27 -0.13 0.00 -0.41 -4.43 105.19 105.76 3kg9 n GLY 1124Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3kg9 n GLY 1124CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg9 s ILE 1125N -2.00 4.14 -0.56 -0.61 1.01 -0.60 -0.25 121.20 122.32 3kg9 s ILE 1125Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 3kg9 s ILE 1125Cb 0.00 -3.51 0.14 0.00 0.01 0.00 0.00 42.46 39.10 3kg9 s ILE 1125CO 0.00 -0.46 0.47 -0.62 0.00 0.00 0.00 174.94 174.33 3kg9 s ASP 1126N 1.99 6.00 -0.32 3.58 -1.08 0.57 -1.90 116.67 125.50 3kg9 s ASP 1126Ca 0.03 -2.06 -0.21 0.00 -0.52 0.00 0.00 52.55 49.78 3kg9 s ASP 1126Cb -0.22 -2.10 -0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3kg9 s ASP 1126CO 0.02 -0.71 0.69 -0.31 0.52 0.00 0.00 175.17 175.38 3kg9 s TYR 1127N 1.15 3.19 0.77 -5.34 2.02 -1.26 -2.46 117.35 115.42 3kg9 s TYR 1127Ca 0.07 0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 57.25 3kg9 s TYR 1127Cb -0.25 -3.12 0.18 0.00 -0.40 0.00 0.00 41.96 38.38 3kg9 s TYR 1127CO -0.01 -0.55 0.98 0.41 -1.57 0.00 0.00 175.55 174.81 3kg9 n GLY 1128N 4.42 -1.60 0.27 0.71 0.00 0.39 -4.80 105.19 104.58 3kg9 n GLY 1128Ca 0.01 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.41 3kg9 n GLY 1128CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kg9 h ASN 1129N -1.46 0.23 -0.47 1.61 4.21 -1.97 -0.79 115.58 116.94 3kg9 h ASN 1129Ca -0.32 0.11 0.10 0.00 1.21 0.00 0.00 56.30 57.40 3kg9 h ASN 1129Cb 0.90 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.18 3kg9 h ASN 1129CO 0.23 0.08 0.32 0.28 -1.29 0.00 0.00 177.43 177.05 3kg9 h SER 1130N 0.41 0.19 -0.44 5.81 0.02 -1.93 -1.32 113.55 116.30 3kg9 h SER 1130Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3kg9 h SER 1130Cb 0.63 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3kg9 h SER 1130CO -0.42 0.11 0.00 0.49 -1.14 0.00 0.00 176.83 175.88 3kg9 n PHE 1131N -4.45 0.58 -1.83 3.45 3.01 -0.32 -4.30 117.46 113.60 3kg9 n PHE 1131Ca 0.07 -0.29 -0.35 0.00 1.01 0.00 0.00 57.45 57.89 3kg9 n PHE 1131Cb 0.39 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.90 3kg9 n PHE 1131CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3kg9 n GLN 1132N 0.94 2.90 0.00 -1.08 6.02 -0.50 -4.70 117.38 120.97 3kg9 n GLN 1132Ca 0.17 -3.64 0.08 0.00 -0.01 0.00 0.00 57.00 53.60 3kg9 n GLN 1132Cb 0.44 -2.27 0.38 0.00 1.02 0.00 0.00 30.24 29.80 3kg9 n GLN 1132CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg9 n GLY 1133N -0.66 -0.93 3.63 1.08 0.00 -1.26 -4.72 105.19 102.34 3kg9 n GLY 1133Ca 0.54 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 3kg9 n GLY 1133CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg9 s ILE 1134N -2.76 4.13 -0.15 -0.61 1.01 -1.26 -1.55 121.20 120.01 3kg9 s ILE 1134Ca 0.12 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.09 3kg9 s ILE 1134Cb 0.11 -4.12 -0.23 0.00 0.01 0.00 0.00 42.46 38.23 3kg9 s ILE 1134CO 0.27 -0.44 0.22 0.29 0.00 0.00 0.00 174.94 175.28 3kg9 n LYS 1135N 7.28 0.69 -3.86 2.79 5.02 0.66 -4.96 118.16 125.78 3kg9 n LYS 1135Ca 0.15 0.20 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 3kg9 n LYS 1135Cb 0.46 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 3kg9 n LYS 1135CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kg9 s GLN 1136N -2.55 0.28 -0.09 1.97 -0.21 -1.12 -5.00 119.66 112.95 3kg9 s GLN 1136Ca -0.20 -0.10 -0.05 0.00 0.02 0.00 0.00 55.36 55.03 3kg9 s GLN 1136Cb 0.07 0.12 0.04 0.00 1.00 0.00 0.00 33.01 34.24 3kg9 s GLN 1136CO 0.75 -0.05 0.21 -1.17 -2.12 0.00 0.00 175.29 172.90 3kg9 s LEU 1137N -0.60 0.70 0.07 2.90 2.96 -1.26 -0.71 118.68 122.74 3kg9 s LEU 1137Ca -0.07 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3kg9 s LEU 1137Cb -0.04 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.23 3kg9 s LEU 1137CO 0.01 -0.14 -0.09 0.26 -1.32 0.00 0.00 176.35 175.07 3kg9 s TRP 1138N 0.96 0.92 0.12 5.38 0.51 0.14 -1.05 118.94 125.92 3kg9 s TRP 1138Ca -0.07 -0.62 0.06 0.00 -2.12 0.00 0.00 56.10 53.35 3kg9 s TRP 1138Cb -0.09 -0.52 -0.04 0.00 -0.81 0.00 0.00 33.47 32.02 3kg9 s TRP 1138CO -0.06 -0.05 -0.16 -1.59 -0.51 0.00 0.00 176.95 174.59 3kg9 s LYS 1139N -2.42 1.04 0.00 4.98 -2.85 -0.03 -0.66 119.74 119.82 3kg9 s LYS 1139Ca 0.00 -1.21 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 3kg9 s LYS 1139Cb -0.05 -1.02 0.00 0.00 -2.06 0.00 0.00 37.83 34.70 3kg9 s LYS 1139CO -0.00 0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.07 3kg9 n GLY 1140N 0.69 6.29 3.58 0.59 0.00 0.46 -2.20 105.19 114.59 3kg9 n GLY 1140Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3kg9 n GLY 1140CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kg9 s GLN 1141N 1.34 3.73 -0.31 1.61 2.00 -1.26 -3.98 119.66 122.79 3kg9 s GLN 1141Ca 0.00 0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.59 3kg9 s GLN 1141Cb 0.00 -3.81 0.00 0.00 0.80 0.00 0.00 33.01 30.00 3kg9 s GLN 1141CO 0.00 -0.81 0.00 0.41 -0.50 0.00 0.00 175.29 174.39 3kg9 n GLY 1142N 4.57 0.53 3.34 2.59 0.00 -1.25 -4.96 105.19 110.00 3kg9 n GLY 1142Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3kg9 n GLY 1142CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg9 s LYS 1143N -1.50 1.03 0.13 1.61 -2.85 -1.25 -1.23 119.74 115.69 3kg9 s LYS 1143Ca 0.00 -0.51 -0.10 0.00 -1.00 0.00 0.00 55.97 54.36 3kg9 s LYS 1143Cb 0.00 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 3kg9 s LYS 1143CO 0.00 -0.39 0.26 0.00 0.10 0.00 0.00 175.35 175.32 3kg9 s ALA 1144N -3.20 -0.23 -0.03 0.59 0.00 0.12 -0.40 121.76 118.62 3kg9 s ALA 1144Ca -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kg9 s ALA 1144Cb 0.00 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.82 3kg9 s ALA 1144CO -0.08 -0.59 0.04 -1.17 0.00 0.00 0.00 175.76 173.97 3kg9 s LEU 1145N -2.90 0.85 0.01 0.00 2.96 0.17 -1.11 118.68 118.66 3kg9 s LEU 1145Ca 0.10 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 3kg9 s LEU 1145Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 3kg9 s LEU 1145CO -0.06 -0.16 -0.17 -0.83 -1.32 0.00 0.00 176.35 173.81 3kg9 s GLY 1146N 1.33 0.85 -0.29 7.98 0.00 -0.39 -0.68 107.32 116.12 3kg9 s GLY 1146Ca -0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 3kg9 s GLY 1146CO -0.03 -0.70 0.26 1.25 0.00 0.00 0.00 173.10 173.88 3kg9 s LYS 1147N -0.67 3.89 0.02 2.90 2.20 0.11 0.00 119.74 128.19 3kg9 s LYS 1147Ca 0.06 -0.26 0.06 0.00 -0.36 0.00 0.00 55.97 55.47 3kg9 s LYS 1147Cb -0.07 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 3kg9 s LYS 1147CO 0.00 -0.26 -0.19 0.42 -0.36 0.00 0.00 175.35 174.96 3kg9 s ILE 1148N 1.87 1.52 0.11 5.43 1.01 -0.26 -0.24 121.20 130.63 3kg9 s ILE 1148Ca 0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3kg9 s ILE 1148Cb -0.16 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3kg9 s ILE 1148CO 0.11 0.27 0.28 0.00 0.00 0.00 0.00 174.94 175.60 3kg9 s ALA 1149N -0.65 -0.49 0.01 9.38 0.00 -0.60 -1.19 121.76 128.23 3kg9 s ALA 1149Ca 0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 3kg9 s ALA 1149Cb -0.08 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.55 3kg9 s ALA 1149CO 0.01 -0.57 1.57 -0.51 0.00 0.00 0.00 175.76 176.26 3kg9 s LEU 1150N -2.84 4.34 0.91 0.00 1.43 -0.70 -4.45 118.68 117.36 3kg9 s LEU 1150Ca 0.05 2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 3kg9 s LEU 1150Cb 0.04 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.84 3kg9 s LEU 1150CO -0.11 -0.85 1.14 -2.84 0.23 0.00 0.00 176.35 173.92 3kg9 s PRO 1151N 2.93 1.10 0.54 1.29 0.02 -1.26 -4.57 135.00 135.04 3kg9 s PRO 1151Ca 0.71 1.50 0.24 0.00 0.02 0.00 0.00 61.00 63.47 3kg9 s PRO 1151Cb -0.35 -1.74 1.40 0.00 0.02 0.00 0.00 34.50 33.83 3kg9 s PRO 1151CO 0.30 -2.56 2.02 1.05 -0.33 0.00 0.00 177.00 177.48 3kg9 h GLU 1152N -1.82 0.00 -0.15 5.54 4.11 -1.94 -0.56 114.58 119.76 3kg9 h GLU 1152Ca -0.43 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.04 3kg9 h GLU 1152Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3kg9 h GLU 1152CO 0.43 0.00 0.14 0.93 0.07 0.00 0.00 179.01 180.57 3kg9 h GLU 1153N 0.00 0.00 0.00 1.06 3.07 -1.93 -3.19 114.58 113.59 3kg9 h GLU 1153Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3kg9 h GLU 1153Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3kg9 h GLU 1153CO -0.00 0.00 -0.07 0.44 -1.40 0.00 0.00 179.01 177.97 3kg9 n ILE 1154N -4.05 0.21 0.26 3.13 -5.35 -0.54 -4.89 119.36 108.12 3kg9 n ILE 1154Ca 0.01 -0.22 0.14 0.00 -0.27 0.00 0.00 62.75 62.41 3kg9 n ILE 1154Cb 0.25 0.81 0.82 0.00 -1.74 0.00 0.00 39.64 39.79 3kg9 n ILE 1154CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kg9 h ALA 1155N 0.00 1.75 -0.20 -1.28 0.00 -1.14 -1.12 119.26 117.28 3kg9 h ALA 1155Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kg9 h ALA 1155Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3kg9 h ALA 1155CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3kg9 n GLY 1156N -1.41 0.25 1.06 0.00 0.00 -1.26 -4.30 105.19 99.53 3kg9 n GLY 1156Ca -0.02 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kg9 n GLY 1156CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kg9 n GLN 1157N 0.27 2.40 0.25 1.61 6.02 -0.42 -4.50 117.38 123.01 3kg9 n GLN 1157Ca 0.14 -2.09 0.08 0.00 -0.01 0.00 0.00 57.00 55.13 3kg9 n GLN 1157Cb 0.29 -1.49 0.63 0.00 1.02 0.00 0.00 30.24 30.69 3kg9 n GLN 1157CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kg9 h ALA 1158N 4.53 1.76 -0.00 -1.58 0.00 -1.77 -1.18 119.26 121.02 3kg9 h ALA 1158Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kg9 h ALA 1158Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kg9 h ALA 1158CO 0.00 0.10 -0.14 0.25 0.00 0.00 0.00 179.25 179.46 3kg9 n THR 1159N -4.29 0.00 0.70 0.00 -2.24 -1.26 -3.34 114.28 103.84 3kg9 n THR 1159Ca -0.03 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 3kg9 n THR 1159Cb 0.16 -0.07 0.20 0.00 -2.10 0.00 0.00 70.33 68.52 3kg9 n THR 1159CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kg9 n ASP 1160N -1.02 0.62 -4.18 3.42 8.00 -0.45 -4.95 116.55 118.00 3kg9 n ASP 1160Ca 0.13 0.03 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 3kg9 n ASP 1160Cb 0.29 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 3kg9 n ASP 1160CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kg9 s TYR 1161N -3.12 1.09 -0.00 1.24 1.51 -1.21 -4.64 117.35 112.21 3kg9 s TYR 1161Ca 0.08 -0.63 -0.17 0.00 -1.01 0.00 0.00 57.07 55.34 3kg9 s TYR 1161Cb 0.15 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.31 3kg9 s TYR 1161CO 0.71 0.01 0.84 1.96 -1.11 0.00 0.00 175.55 177.97 3kg9 h GLN 1162N 3.65 -0.58 -3.92 -0.62 1.08 -1.85 -3.44 115.11 109.43 3kg9 h GLN 1162Ca -0.38 0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 56.34 3kg9 h GLN 1162Cb 1.19 0.13 -0.38 0.00 -0.05 0.00 0.00 27.48 28.37 3kg9 h GLN 1162CO 0.51 -0.38 -0.78 -0.51 -0.95 0.00 0.00 178.83 176.72 3kg9 s LEU 1163N -7.99 1.27 -0.01 1.46 1.43 -1.26 -4.50 118.68 109.09 3kg9 s LEU 1163Ca -0.09 -0.56 -0.35 0.00 -1.03 0.00 0.00 54.13 52.10 3kg9 s LEU 1163Cb 0.01 -0.73 -0.14 0.00 0.03 0.00 0.00 46.19 45.36 3kg9 s LEU 1163CO 0.26 -0.21 1.67 1.57 0.23 0.00 0.00 176.35 179.87 3kg9 n HIS 1164N 4.98 2.13 -0.32 0.29 -0.00 -1.26 -4.80 115.22 116.23 3kg9 n HIS 1164Ca -0.10 0.28 0.21 0.00 -0.00 0.00 0.00 57.72 58.11 3kg9 n HIS 1164Cb 0.48 -2.54 0.48 0.00 -0.00 0.00 0.00 29.99 28.41 3kg9 n HIS 1164CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kg9 h PRO 1165N 7.05 0.43 0.00 1.57 0.11 -1.98 0.06 132.00 139.24 3kg9 h PRO 1165Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3kg9 h PRO 1165Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kg9 h PRO 1165CO 0.90 0.28 -0.65 0.00 -0.21 0.00 0.00 178.00 178.33 3kg9 h ALA 1166N 1.64 0.87 -0.05 -0.75 0.00 -1.89 -0.29 119.26 118.79 3kg9 h ALA 1166Ca 0.59 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kg9 h ALA 1166Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kg9 h ALA 1166CO -0.32 0.81 -0.28 1.25 0.00 0.00 0.00 179.25 180.72 3kg9 h LEU 1167N 0.00 0.33 -0.92 0.00 5.85 -1.33 -2.34 115.31 116.90 3kg9 h LEU 1167Ca -0.01 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 57.98 3kg9 h LEU 1167Cb 1.19 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3kg9 h LEU 1167CO 0.08 0.95 0.08 0.25 -0.34 0.00 0.00 178.44 179.46 3kg9 h LEU 1168N -0.27 0.82 -0.84 2.25 5.85 -1.30 -2.68 115.31 119.15 3kg9 h LEU 1168Ca -0.02 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3kg9 h LEU 1168Cb 0.95 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3kg9 h LEU 1168CO 0.06 0.84 0.31 -0.78 -0.34 0.00 0.00 178.44 178.53 3kg9 h ASP 1169N 0.82 1.07 -0.79 1.25 3.58 -1.06 -1.00 116.42 120.29 3kg9 h ASP 1169Ca 0.17 -0.16 0.09 0.00 0.42 0.00 0.00 57.03 57.54 3kg9 h ASP 1169Cb 0.38 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 3kg9 h ASP 1169CO 0.01 0.95 0.52 0.00 -2.88 0.00 0.00 179.24 177.83 3kg9 h ALA 1170N 1.20 1.74 -0.24 -0.78 0.00 -1.08 0.39 119.26 120.50 3kg9 h ALA 1170Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kg9 h ALA 1170Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kg9 h ALA 1170CO -0.02 0.11 -0.22 0.00 0.00 0.00 0.00 179.25 179.11 3kg9 h ALA 1171N 1.60 0.34 0.00 0.00 0.00 -1.08 -3.16 119.26 116.95 3kg9 h ALA 1171Ca 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3kg9 h ALA 1171Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kg9 h ALA 1171CO -0.13 0.30 -0.19 -0.07 0.00 0.00 0.00 179.25 179.15 3kg9 h LEU 1172N 0.27 0.00 -2.57 0.00 3.38 -0.04 -2.58 115.31 113.77 3kg9 h LEU 1172Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kg9 h LEU 1172Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kg9 h LEU 1172CO 0.06 0.19 0.07 1.56 0.09 0.00 0.00 178.44 180.41 3kg9 h GLN 1173N 0.00 0.00 0.00 1.13 4.20 -0.93 -1.95 115.11 117.56 3kg9 h GLN 1173Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kg9 h GLN 1173Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3kg9 h GLN 1173CO 0.02 0.00 0.00 -0.89 -0.67 0.00 0.00 178.83 177.29 3kg9 n ILE 1174N -3.48 0.69 -0.19 2.54 5.41 -0.97 -4.12 119.36 119.23 3kg9 n ILE 1174Ca -0.02 -0.04 -0.00 0.00 1.00 0.00 0.00 62.75 63.69 3kg9 n ILE 1174Cb 0.15 -0.85 0.09 0.00 -0.71 0.00 0.00 39.64 38.32 3kg9 n ILE 1174CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kg9 h LEU 1175N 0.00 -0.29 -1.41 1.39 5.85 -1.54 -1.52 115.31 117.80 3kg9 h LEU 1175Ca 0.00 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3kg9 h LEU 1175Cb 0.55 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3kg9 h LEU 1175CO 0.00 -0.11 0.51 1.23 -0.34 0.00 0.00 178.44 179.72 3kg9 h GLY 1176N 0.10 0.96 1.74 3.75 0.00 -1.83 -0.46 103.07 107.34 3kg9 h GLY 1176Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 3kg9 h GLY 1176CO -0.51 0.14 -0.44 0.45 0.00 0.00 0.00 176.54 176.19 3kg9 h HIS 1177N 0.65 0.34 -0.17 5.60 3.86 -1.56 0.20 115.15 124.07 3kg9 h HIS 1177Ca 0.36 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 59.30 3kg9 h HIS 1177Cb 0.53 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3kg9 h HIS 1177CO -0.00 0.68 -0.61 0.00 0.86 0.00 0.00 177.93 178.85 3kg9 h ALA 1178N 1.31 0.61 -0.32 2.45 0.00 -1.02 -3.23 119.26 119.06 3kg9 h ALA 1178Ca 0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3kg9 h ALA 1178Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kg9 h ALA 1178CO 0.07 0.70 -0.23 0.82 0.00 0.00 0.00 179.25 180.61 3kg9 h ILE 1179N 0.44 1.29 0.00 0.00 2.04 -0.82 -3.31 117.51 117.15 3kg9 h ILE 1179Ca -0.01 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.48 3kg9 h ILE 1179Cb 1.18 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3kg9 h ILE 1179CO 0.12 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.32 3kg9 n GLY 1180N 0.06 0.86 0.12 5.37 0.00 0.68 -4.91 105.19 107.37 3kg9 n GLY 1180Ca -0.03 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.84 3kg9 n GLY 1180CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kg9 n ASN 1181N 0.43 1.09 -0.27 1.61 6.94 -1.15 -4.74 115.26 119.16 3kg9 n ASN 1181Ca 0.00 -1.04 0.06 0.00 -0.02 0.00 0.00 54.58 53.57 3kg9 n ASN 1181Cb 0.00 0.84 0.20 0.00 -2.36 0.00 0.00 39.78 38.46 3kg9 n ASN 1181CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3kg9 h THR 1182N 0.61 0.69 0.00 5.53 1.35 -1.87 0.34 112.91 119.57 3kg9 h THR 1182Ca 0.00 -0.18 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 3kg9 h THR 1182Cb 0.46 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 3kg9 h THR 1182CO 0.00 0.09 -0.56 -0.08 -0.25 0.00 0.00 175.52 174.73 3kg9 h GLU 1183N 0.52 0.00 0.01 4.72 4.81 -1.95 -3.35 114.58 119.35 3kg9 h GLU 1183Ca 0.43 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.35 3kg9 h GLU 1183Cb 0.63 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 3kg9 h GLU 1183CO -0.38 0.56 -1.73 2.41 -0.73 0.00 0.00 179.01 179.14 3kg9 n THR 1184N -3.39 1.56 -2.64 0.32 -1.04 -0.60 -4.92 114.28 103.58 3kg9 n THR 1184Ca 0.01 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 3kg9 n THR 1184Cb 0.69 -1.94 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 3kg9 n THR 1184CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kg9 s ASP 1185N -7.03 7.09 0.00 8.00 -1.08 0.11 -4.91 116.67 118.84 3kg9 s ASP 1185Ca -0.31 1.41 0.24 0.00 -0.52 0.00 0.00 52.55 53.37 3kg9 s ASP 1185Cb 0.08 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.57 3kg9 s ASP 1185CO 0.59 -0.67 1.47 0.47 0.52 0.00 0.00 175.17 177.54 3kg9 n ASP 1186N 6.32 2.48 -4.81 -0.34 8.00 -1.26 -4.77 116.55 122.17 3kg9 n ASP 1186Ca 0.12 -1.82 -0.34 0.00 0.71 0.00 0.00 54.79 53.46 3kg9 n ASP 1186Cb 0.46 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 3kg9 n ASP 1186CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kg9 s LYS 1187N -1.83 4.14 -0.26 -1.24 1.02 -1.26 -4.82 119.74 115.50 3kg9 s LYS 1187Ca 0.34 1.25 -0.17 0.00 0.02 0.00 0.00 55.97 57.40 3kg9 s LYS 1187Cb 0.20 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 3kg9 s LYS 1187CO 0.30 -0.13 0.49 0.00 -0.92 0.00 0.00 175.35 175.10 3kg9 s ALA 1188N -2.02 3.58 -0.06 5.17 0.00 -1.26 -5.01 121.76 122.16 3kg9 s ALA 1188Ca 0.62 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 3kg9 s ALA 1188Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3kg9 s ALA 1188CO 0.17 -0.70 0.04 0.71 0.00 0.00 0.00 175.76 175.99 3kg9 s TYR 1189N 2.21 3.24 0.04 0.00 2.02 -1.26 0.07 117.35 123.66 3kg9 s TYR 1189Ca 0.20 0.23 0.05 0.00 -0.37 0.00 0.00 57.07 57.19 3kg9 s TYR 1189Cb -0.16 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3kg9 s TYR 1189CO 0.09 0.53 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.94 3kg9 s LEU 1190N -1.20 2.16 0.30 -1.29 1.43 -0.69 -4.94 118.68 114.45 3kg9 s LEU 1190Ca 0.17 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3kg9 s LEU 1190Cb -0.12 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 45.31 3kg9 s LEU 1190CO 0.06 0.07 1.54 -2.65 0.23 0.00 0.00 176.35 175.59 3kg9 n PRO 1191N 1.96 2.57 -0.00 1.29 -0.02 -1.26 -1.35 135.00 138.19 3kg9 n PRO 1191Ca -0.18 0.91 0.01 0.00 -2.02 0.00 0.00 63.50 62.23 3kg9 n PRO 1191Cb 0.54 -2.66 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3kg9 n PRO 1191CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kg9 n VAL 1192N 1.73 0.00 0.00 -1.45 3.14 0.51 -4.85 118.33 117.41 3kg9 n VAL 1192Ca 0.08 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 3kg9 n VAL 1192Cb 0.36 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 33.93 3kg9 n VAL 1192CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kg9 n GLY 1193N 1.57 0.64 3.09 7.55 0.00 -1.11 -0.16 105.19 116.77 3kg9 n GLY 1193Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3kg9 n GLY 1193CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kg9 s ILE 1194N -2.00 0.45 -0.06 -0.61 -4.36 -0.71 -0.78 121.20 113.12 3kg9 s ILE 1194Ca 0.00 -1.51 -0.06 0.00 -0.26 0.00 0.00 60.65 58.82 3kg9 s ILE 1194Cb 0.00 -1.12 -0.28 0.00 1.25 0.00 0.00 42.46 42.31 3kg9 s ILE 1194CO 0.00 -0.71 0.59 0.44 0.24 0.00 0.00 174.94 175.50 3kg9 h ASP 1195N 3.70 0.46 -3.95 4.36 3.32 -0.91 -1.90 116.42 121.50 3kg9 h ASP 1195Ca -0.35 -0.80 -0.08 0.00 0.02 0.00 0.00 57.03 55.82 3kg9 h ASP 1195Cb 1.18 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.35 3kg9 h ASP 1195CO 0.55 1.70 -0.05 -0.75 -1.72 0.00 0.00 179.24 178.96 3kg9 s LYS 1196N -2.58 0.66 -0.06 3.56 2.20 -0.94 -1.25 119.74 121.32 3kg9 s LYS 1196Ca -0.16 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.23 3kg9 s LYS 1196Cb 0.06 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 3kg9 s LYS 1196CO 0.82 -0.08 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.50 3kg9 s LEU 1197N 0.28 1.31 -0.04 5.43 2.96 0.44 -0.28 118.68 128.78 3kg9 s LEU 1197Ca -0.00 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3kg9 s LEU 1197Cb -0.04 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 46.06 3kg9 s LEU 1197CO 0.01 -0.06 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.37 3kg9 s LYS 1198N 1.09 0.96 -0.12 1.98 1.02 -0.62 -1.34 119.74 122.71 3kg9 s LYS 1198Ca -0.08 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.72 3kg9 s LYS 1198Cb -0.14 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3kg9 s LYS 1198CO -0.01 -0.00 -0.16 -1.14 -0.92 0.00 0.00 175.35 173.12 3kg9 s GLN 1199N 0.63 3.31 -0.02 1.68 0.74 -1.26 -0.93 119.66 123.81 3kg9 s GLN 1199Ca -0.09 -0.73 0.16 0.00 0.05 0.00 0.00 55.36 54.75 3kg9 s GLN 1199Cb -0.13 -2.56 -0.24 0.00 1.10 0.00 0.00 33.01 31.19 3kg9 s GLN 1199CO 0.01 0.20 0.44 0.66 -0.55 0.00 0.00 175.29 176.05 3kg9 n TYR 1200N 3.53 0.00 -4.37 1.67 4.02 0.79 -4.88 117.16 117.92 3kg9 n TYR 1200Ca -0.18 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.52 3kg9 n TYR 1200Cb 0.53 -0.28 -0.14 0.00 -0.02 0.00 0.00 39.34 39.42 3kg9 n TYR 1200CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3kg9 s ARG 1201N -2.99 0.81 0.04 -0.72 3.52 -1.20 -5.03 118.95 113.38 3kg9 s ARG 1201Ca -0.03 -0.50 -0.18 0.00 -0.13 0.00 0.00 55.73 54.89 3kg9 s ARG 1201Cb 0.11 -0.78 -0.17 0.00 -1.56 0.00 0.00 34.95 32.55 3kg9 s ARG 1201CO 0.68 0.20 1.25 0.37 -0.81 0.00 0.00 175.30 176.99 3kg9 h GLN 1202N 5.52 0.48 -5.26 5.12 5.75 -1.93 -3.44 115.11 121.36 3kg9 h GLN 1202Ca -0.33 -0.36 -0.67 0.00 -0.15 0.00 0.00 58.65 57.14 3kg9 h GLN 1202Cb 1.18 0.07 -0.30 0.00 1.07 0.00 0.00 27.48 29.50 3kg9 h GLN 1202CO 0.47 0.99 -0.81 0.99 -2.65 0.00 0.00 178.83 177.82 3kg9 s THR 1203N -3.79 2.65 -0.13 2.39 2.01 -1.26 -4.75 115.64 112.75 3kg9 s THR 1203Ca -0.13 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 3kg9 s THR 1203Cb 0.05 -2.10 0.04 0.00 0.01 0.00 0.00 72.50 70.50 3kg9 s THR 1203CO 0.81 0.53 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.61 3kg9 s ILE 1204N 0.59 0.71 -0.03 1.82 1.01 -1.26 -4.99 121.20 119.05 3kg9 s ILE 1204Ca -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3kg9 s ILE 1204Cb -0.16 -0.91 -0.06 0.00 0.01 0.00 0.00 42.46 41.34 3kg9 s ILE 1204CO 0.03 0.16 0.10 0.35 0.00 0.00 0.00 174.94 175.59 3kg9 n THR 1205N 5.02 0.00 -3.68 2.92 -2.24 -1.26 -4.77 114.28 110.27 3kg9 n THR 1205Ca -0.10 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 3kg9 n THR 1205Cb 0.49 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3kg9 n THR 1205CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kg9 s GLN 1206N -2.13 0.66 0.06 -0.78 -2.07 -1.26 -1.72 119.66 112.42 3kg9 s GLN 1206Ca -0.01 0.81 -0.11 0.00 -1.82 0.00 0.00 55.36 54.22 3kg9 s GLN 1206Cb 0.03 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 3kg9 s GLN 1206CO 0.17 -0.08 0.25 0.14 -1.32 0.00 0.00 175.29 174.44 3kg9 s VAL 1207N 0.39 0.11 -0.17 3.63 -7.23 -0.33 -4.91 120.40 111.89 3kg9 s VAL 1207Ca -0.01 -0.87 -0.18 0.00 -1.81 0.00 0.00 61.98 59.11 3kg9 s VAL 1207Cb -0.04 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 3kg9 s VAL 1207CO -0.00 -0.48 0.51 0.26 -0.31 0.00 0.00 175.10 175.07 3kg9 s TRP 1208N -3.07 3.43 -0.30 2.82 0.52 0.41 -1.11 118.94 121.64 3kg9 s TRP 1208Ca -0.01 0.83 -0.11 0.00 0.02 0.00 0.00 56.10 56.83 3kg9 s TRP 1208Cb 0.01 -2.63 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 3kg9 s TRP 1208CO -0.07 0.00 0.18 0.00 0.02 0.00 0.00 176.95 177.09 3kg9 s ALA 1209N 1.23 3.40 -0.34 0.98 0.00 0.10 -0.77 121.76 126.37 3kg9 s ALA 1209Ca 0.25 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 3kg9 s ALA 1209Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3kg9 s ALA 1209CO 0.10 -0.76 0.19 0.42 0.00 0.00 0.00 175.76 175.71 3kg9 s ILE 1210N 1.69 4.74 -0.15 0.00 1.01 0.33 -1.26 121.20 127.57 3kg9 s ILE 1210Ca 0.06 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3kg9 s ILE 1210Cb -0.17 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3kg9 s ILE 1210CO 0.09 -0.07 -0.20 -0.69 0.00 0.00 0.00 174.94 174.07 3kg9 s VAL 1211N 1.62 2.24 -0.01 2.92 1.01 -0.26 -0.97 120.40 126.94 3kg9 s VAL 1211Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3kg9 s VAL 1211Cb -0.18 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3kg9 s VAL 1211CO 0.07 0.54 0.06 -0.70 0.00 0.00 0.00 175.10 175.07 3kg9 s GLU 1212N 0.83 0.17 -0.35 2.72 2.12 -0.43 -0.70 118.70 123.06 3kg9 s GLU 1212Ca -0.06 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 3kg9 s GLU 1212Cb -0.15 0.07 0.06 0.00 0.26 0.00 0.00 34.13 34.37 3kg9 s GLU 1212CO -0.02 -0.03 0.10 0.42 -0.54 0.00 0.00 175.26 175.19 3kg9 s ILE 1213N -0.42 3.41 0.52 -3.70 -1.09 -0.36 -0.41 121.20 119.14 3kg9 s ILE 1213Ca -0.05 -1.45 -0.23 0.00 -2.23 0.00 0.00 60.65 56.69 3kg9 s ILE 1213Cb -0.03 -3.04 -0.06 0.00 -1.58 0.00 0.00 42.46 37.75 3kg9 s ILE 1213CO 0.00 -0.29 1.40 -2.84 -1.23 0.00 0.00 174.94 171.98 3kg9 s PRO 1214N 1.29 3.31 0.63 2.79 0.02 -1.26 -4.84 135.00 136.94 3kg9 s PRO 1214Ca -0.01 2.33 0.34 0.00 0.02 0.00 0.00 61.00 63.69 3kg9 s PRO 1214Cb -0.21 -2.40 1.95 0.00 0.02 0.00 0.00 34.50 33.87 3kg9 s PRO 1214CO -0.00 -1.09 2.20 0.93 -0.33 0.00 0.00 177.00 178.71 3kg9 h GLU 1215N 1.75 0.00 -0.73 5.54 5.08 -1.98 -2.41 114.58 121.83 3kg9 h GLU 1215Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3kg9 h GLU 1215Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3kg9 h GLU 1215CO 0.58 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.86 3kg9 n ASN 1216N -3.45 3.98 -4.02 1.42 6.94 -1.26 -4.96 115.26 113.91 3kg9 n ASN 1216Ca -0.01 -2.01 -0.10 0.00 -0.02 0.00 0.00 54.58 52.44 3kg9 n ASN 1216Cb 0.20 -0.49 -0.08 0.00 -2.36 0.00 0.00 39.78 37.04 3kg9 n ASN 1216CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3kg9 s THR 1217N -1.02 0.08 -0.94 5.53 -1.32 -0.91 -5.05 115.64 112.02 3kg9 s THR 1217Ca 0.49 -1.56 0.16 0.00 -1.21 0.00 0.00 61.69 59.57 3kg9 s THR 1217Cb 0.26 -1.90 -0.14 0.00 -1.51 0.00 0.00 72.50 69.21 3kg9 s THR 1217CO 0.33 -0.36 0.74 0.18 -2.21 0.00 0.00 174.62 173.30 3kg9 n LEU 1218N -0.17 0.97 -4.82 9.08 4.77 -1.26 -4.63 117.00 120.93 3kg9 n LEU 1218Ca -0.07 -0.55 -0.34 0.00 -0.03 0.00 0.00 56.01 55.02 3kg9 n LEU 1218Cb 0.63 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3kg9 n LEU 1218CO 0.26 0.22 0.53 -0.54 -1.33 0.00 0.00 177.39 176.54 3kg9 s LYS 1219N -2.44 4.19 0.09 3.23 1.02 -1.26 -4.99 119.74 119.58 3kg9 s LYS 1219Ca 0.08 0.95 -0.11 0.00 0.02 0.00 0.00 55.97 56.91 3kg9 s LYS 1219Cb 0.13 -2.44 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 3kg9 s LYS 1219CO 0.62 0.13 0.42 0.20 -0.92 0.00 0.00 175.35 175.81 3kg9 s GLY 1220N -2.07 2.37 -0.16 -3.33 0.00 -0.49 -4.44 107.32 99.19 3kg9 s GLY 1220Ca 0.55 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.89 3kg9 s GLY 1220CO 0.17 -0.10 -0.01 -0.45 0.00 0.00 0.00 173.10 172.72 3kg9 s SER 1221N -1.72 5.05 -0.15 1.64 0.15 0.45 -0.82 113.70 118.31 3kg9 s SER 1221Ca 0.33 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.93 3kg9 s SER 1221Cb -0.14 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.35 3kg9 s SER 1221CO 0.18 0.17 -0.17 -0.63 1.20 0.00 0.00 173.24 173.99 3kg9 s ILE 1222N 0.36 1.76 -0.14 6.45 -1.09 -0.79 -1.31 121.20 126.44 3kg9 s ILE 1222Ca -0.02 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 3kg9 s ILE 1222Cb -0.14 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3kg9 s ILE 1222CO 0.02 0.49 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.49 3kg9 s LYS 1223N 1.20 2.71 -0.27 2.79 1.02 -0.14 -0.56 119.74 126.49 3kg9 s LYS 1223Ca 0.00 -0.73 -0.10 0.00 0.02 0.00 0.00 55.97 55.16 3kg9 s LYS 1223Cb -0.14 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.85 3kg9 s LYS 1223CO -0.08 -0.09 0.17 -0.51 -0.92 0.00 0.00 175.35 173.92 3kg9 s LEU 1224N 1.04 3.92 0.20 3.17 1.43 0.04 -0.51 118.68 127.96 3kg9 s LEU 1224Ca -0.03 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3kg9 s LEU 1224Cb -0.15 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3kg9 s LEU 1224CO -0.05 -0.04 -0.15 0.68 0.23 0.00 0.00 176.35 177.02 3kg9 s VAL 1225N 1.71 1.74 0.13 -1.59 -7.23 0.05 0.06 120.40 115.27 3kg9 s VAL 1225Ca 0.07 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.08 3kg9 s VAL 1225Cb -0.16 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.82 3kg9 s VAL 1225CO 0.09 -0.54 0.18 -0.90 -0.31 0.00 0.00 175.10 173.62 3kg9 n ASP 1226N -0.23 0.09 0.28 4.85 5.68 -0.63 -0.44 116.55 126.15 3kg9 n ASP 1226Ca -0.09 -1.11 0.14 0.00 -0.50 0.00 0.00 54.79 53.22 3kg9 n ASP 1226Cb 0.60 -0.13 0.80 0.00 -1.14 0.00 0.00 41.12 41.25 3kg9 n ASP 1226CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3kg9 h ASN 1227N -0.19 0.00 -0.14 -1.12 4.21 -1.96 -2.08 115.58 114.30 3kg9 h ASN 1227Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3kg9 h ASN 1227Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3kg9 h ASN 1227CO 0.05 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 176.26 3kg9 n GLN 1228N -3.72 2.11 -0.75 0.81 6.02 -1.26 -4.94 117.38 115.65 3kg9 n GLN 1228Ca -0.02 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 3kg9 n GLN 1228Cb 0.18 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3kg9 n GLN 1228CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg9 n GLY 1229N 1.31 0.66 3.75 1.08 0.00 -0.78 -4.76 105.19 106.45 3kg9 n GLY 1229Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kg9 n GLY 1229CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kg9 s SER 1230N -2.14 6.80 -0.22 1.61 0.01 -1.26 -0.64 113.70 117.87 3kg9 s SER 1230Ca 0.00 2.57 -0.29 0.00 1.31 0.00 0.00 55.95 59.54 3kg9 s SER 1230Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3kg9 s SER 1230CO 0.00 -0.57 1.02 -0.22 0.41 0.00 0.00 173.24 173.88 3kg9 s LEU 1231N -0.76 4.12 -0.15 2.44 2.96 -1.26 -1.60 118.68 124.42 3kg9 s LEU 1231Ca 0.55 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.83 3kg9 s LEU 1231Cb -0.39 -3.51 -0.23 0.00 0.50 0.00 0.00 46.19 42.56 3kg9 s LEU 1231CO 0.44 -0.63 0.23 0.18 -1.32 0.00 0.00 176.35 175.25 3kg9 n LEU 1232N 6.13 2.25 -3.51 -0.68 4.77 0.11 -4.69 117.00 121.38 3kg9 n LEU 1232Ca 0.11 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3kg9 n LEU 1232Cb 0.46 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 3kg9 n LEU 1232CO 0.52 0.78 0.54 0.00 -1.33 0.00 0.00 177.39 177.90 3kg9 s ALA 1233N -2.55 -1.77 -0.07 -1.18 0.00 -1.08 -0.15 121.76 114.96 3kg9 s ALA 1233Ca -0.22 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 3kg9 s ALA 1233Cb 0.07 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3kg9 s ALA 1233CO 0.74 -0.50 0.17 -2.00 0.00 0.00 0.00 175.76 174.17 3kg9 s GLU 1234N -2.08 0.19 -0.11 0.00 2.12 -0.10 -0.78 118.70 117.93 3kg9 s GLU 1234Ca -0.04 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.55 3kg9 s GLU 1234Cb -0.00 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 3kg9 s GLU 1234CO -0.00 -0.05 -0.09 0.42 -0.54 0.00 0.00 175.26 175.01 3kg9 s ILE 1235N 0.27 3.49 -0.10 -3.70 1.01 0.28 -1.59 121.20 120.85 3kg9 s ILE 1235Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3kg9 s ILE 1235Cb -0.03 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3kg9 s ILE 1235CO -0.01 0.55 -0.02 -1.61 0.00 0.00 0.00 174.94 173.84 3kg9 s GLU 1236N -0.14 3.10 -0.67 2.79 2.02 0.62 -1.88 118.70 124.55 3kg9 s GLU 1236Ca 0.01 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 3kg9 s GLU 1236Cb -0.13 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3kg9 s GLU 1236CO 0.03 0.58 0.57 0.41 0.02 0.00 0.00 175.26 176.86 3kg9 n GLY 1237N 2.51 0.06 3.70 -1.39 0.00 -1.02 -0.79 105.19 108.26 3kg9 n GLY 1237Ca -0.18 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3kg9 n GLY 1237CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kg9 s LEU 1238N -4.34 4.35 -0.06 0.99 2.96 0.00 -3.14 118.68 119.43 3kg9 s LEU 1238Ca 0.10 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 3kg9 s LEU 1238Cb -0.04 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3kg9 s LEU 1238CO 0.39 -0.67 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.41 3kg9 s ARG 1239N 1.72 2.60 0.19 1.98 0.52 0.04 -1.39 118.95 124.61 3kg9 s ARG 1239Ca 0.64 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 55.12 3kg9 s ARG 1239Cb -0.34 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3kg9 s ARG 1239CO 0.29 0.45 -0.19 0.14 0.02 0.00 0.00 175.30 176.01 3kg9 s VAL 1240N -0.31 1.97 0.02 3.52 -7.23 -1.26 -0.36 120.40 116.75 3kg9 s VAL 1240Ca 0.01 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 3kg9 s VAL 1240Cb -0.13 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 3kg9 s VAL 1240CO 0.02 -0.34 -0.06 0.28 -0.31 0.00 0.00 175.10 174.70 3kg9 s THR 1241N -2.18 0.40 0.29 5.32 -1.32 -0.45 -4.86 115.64 112.84 3kg9 s THR 1241Ca 0.19 -0.68 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 3kg9 s THR 1241Cb -0.05 -0.43 -0.10 0.00 -1.51 0.00 0.00 72.50 70.40 3kg9 s THR 1241CO 0.08 -0.19 1.38 0.00 -2.21 0.00 0.00 174.62 173.67 3kg9 s ALA 1242N -0.85 3.56 0.08 11.08 0.00 -1.26 -1.71 121.76 132.67 3kg9 s ALA 1242Ca -0.06 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.30 3kg9 s ALA 1242Cb -0.06 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3kg9 s ALA 1242CO 0.00 -0.71 -0.27 -0.08 0.00 0.00 0.00 175.76 174.71 3kg9 s THR 1243N -0.58 2.18 0.35 0.00 -1.32 0.11 -4.92 115.64 111.46 3kg9 s THR 1243Ca 0.54 -1.54 0.07 0.00 -1.21 0.00 0.00 61.69 59.54 3kg9 s THR 1243Cb -0.41 -1.90 -0.07 0.00 -1.51 0.00 0.00 72.50 68.62 3kg9 s THR 1243CO 0.49 0.25 -0.01 0.42 -2.21 0.00 0.00 174.62 173.55 3kg9 s THR 1244N -0.91 1.80 0.26 5.08 -4.23 -1.26 -4.27 115.64 112.10 3kg9 s THR 1244Ca 0.13 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3kg9 s THR 1244Cb -0.10 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.23 3kg9 s THR 1244CO 0.04 -0.10 1.92 0.00 -0.54 0.00 0.00 174.62 175.93 3kg9 h ALA 1245N 2.00 1.33 0.00 3.99 0.00 -1.97 -2.45 119.26 122.16 3kg9 h ALA 1245Ca -0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kg9 h ALA 1245Cb 1.24 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kg9 h ALA 1245CO 0.74 0.59 -0.38 0.38 0.00 0.00 0.00 179.25 180.57 3kg9 h ASP 1246N 1.29 0.00 0.00 0.00 2.03 -1.99 -3.50 116.42 114.25 3kg9 h ASP 1246Ca 0.39 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 3kg9 h ASP 1246Cb -0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 3kg9 h ASP 1246CO -0.11 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 178.12