#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbu s GLY 912 N 0.00 2.37 0.03 3.41 0.00 -1.25 -3.47 107.32 108.40 3kbu s GLY 912 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3kbu s GLY 912 CO 0.00 0.97 -0.04 -0.11 0.00 0.00 0.00 173.10 173.92 3kbu s PHE 913 N -2.11 0.35 -0.13 1.90 -0.71 -0.81 -4.73 117.98 111.73 3kbu s PHE 913 Ca 0.68 -0.58 -0.20 0.00 -1.04 0.00 0.00 56.93 55.79 3kbu s PHE 913 Cb -0.20 -0.24 -0.18 0.00 -1.21 0.00 0.00 43.02 41.19 3kbu s PHE 913 CO 0.32 -0.19 0.50 -0.07 -1.34 0.00 0.00 175.22 174.45 3kbu h LEU 914 N 4.47 0.00 0.00 -1.99 3.38 -1.96 -1.98 115.31 117.24 3kbu h LEU 914 Ca -0.33 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 56.97 3kbu h LEU 914 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kbu h LEU 914 CO 0.43 0.88 0.00 1.33 0.09 0.00 0.00 178.44 181.18 3kbu n VAL 915 N -4.65 0.00 -3.62 1.22 0.24 -1.26 -4.92 118.33 105.33 3kbu n VAL 915 Ca -0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 3kbu n VAL 915 Cb 0.35 0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 3kbu n VAL 915 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3kbu s SER 916 N 0.00 -0.47 -0.02 -1.34 0.15 -1.26 -0.35 113.70 110.41 3kbu s SER 916 Ca 0.00 0.49 -0.29 0.00 0.70 0.00 0.00 55.95 56.85 3kbu s SER 916 Cb 0.00 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.88 3kbu s SER 916 CO 0.00 -0.52 0.75 0.72 1.20 0.00 0.00 173.24 175.39 3kbu s PHE 917 N -1.16 -0.54 0.04 3.44 -0.12 -0.54 -4.85 117.98 114.25 3kbu s PHE 917 Ca -0.11 0.75 -0.27 0.00 -0.05 0.00 0.00 56.93 57.24 3kbu s PHE 917 Cb -0.02 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 3kbu s PHE 917 CO 0.07 -0.60 0.86 -1.64 -0.05 0.00 0.00 175.22 173.86 3kbu s MET 918 N -1.96 4.56 0.10 1.99 -1.94 -1.26 -1.22 119.30 119.56 3kbu s MET 918 Ca -0.05 1.23 0.05 0.00 -1.71 0.00 0.00 55.69 55.21 3kbu s MET 918 Cb -0.00 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 3kbu s MET 918 CO 0.01 0.16 -0.13 0.54 -0.01 0.00 0.00 175.02 175.59 3kbu s VAL 919 N 0.33 1.12 0.00 -6.03 0.11 -0.54 -4.98 120.40 110.40 3kbu s VAL 919 Ca 0.44 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 3kbu s VAL 919 Cb -0.21 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 3kbu s VAL 919 CO 0.25 -0.39 0.00 -0.90 -3.33 0.00 0.00 175.10 170.73 3kbu n ASP 920 N 0.82 0.14 0.24 3.54 5.68 -1.26 -0.59 116.55 125.11 3kbu n ASP 920 Ca -0.18 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.22 3kbu n ASP 920 Cb 0.56 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.13 3kbu n ASP 920 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kbu h ALA 921 N 1.00 1.13 0.00 2.12 0.00 -1.81 -1.44 119.26 120.26 3kbu h ALA 921 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kbu h ALA 921 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kbu h ALA 921 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3kbu h ARG 922 N 0.00 0.00 0.00 0.00 3.08 -1.89 0.70 114.38 116.27 3kbu h ARG 922 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kbu h ARG 922 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kbu h ARG 922 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 3kbu n GLY 923 N -0.64 -1.50 0.00 0.04 0.00 -0.54 -3.92 105.19 98.63 3kbu n GLY 923 Ca -0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3kbu n GLY 923 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbu n GLY 924 N 0.00 2.55 3.35 -0.02 0.00 0.12 -4.56 105.19 106.64 3kbu n GLY 924 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 3kbu n GLY 924 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbu s SER 925 N 0.00 3.84 -0.02 1.61 0.15 -1.26 -0.64 113.70 117.38 3kbu s SER 925 Ca 0.00 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.31 3kbu s SER 925 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3kbu s SER 925 CO 0.00 0.18 -0.07 -0.04 1.20 0.00 0.00 173.24 174.51 3kbu s MET 926 N 0.24 0.69 0.10 5.44 -1.94 0.73 -3.50 119.30 121.04 3kbu s MET 926 Ca -0.10 -0.24 0.09 0.00 -1.71 0.00 0.00 55.69 53.73 3kbu s MET 926 Cb -0.16 -0.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.98 3kbu s MET 926 CO 0.06 0.11 -0.22 1.03 -0.01 0.00 0.00 175.02 175.99 3kbu s ARG 927 N 0.07 1.73 0.13 2.03 0.52 -1.23 -0.70 118.95 121.51 3kbu s ARG 927 Ca -0.01 -1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 53.71 3kbu s ARG 927 Cb -0.06 -2.05 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 3kbu s ARG 927 CO -0.00 0.49 1.79 0.20 0.02 0.00 0.00 175.30 177.80 3kbu s GLY 928 N -1.86 1.35 0.34 -3.53 0.00 -0.36 -1.93 107.32 101.32 3kbu s GLY 928 Ca 0.15 1.44 0.07 0.00 0.00 0.00 0.00 44.72 46.38 3kbu s GLY 928 CO 0.07 3.07 1.86 1.76 0.00 0.00 0.00 173.10 179.87 3kbu h SER 929 N 8.29 0.73 0.66 1.64 0.02 -1.64 -3.10 113.55 120.15 3kbu h SER 929 Ca -0.45 0.04 -0.27 0.00 -0.84 0.00 0.00 61.79 60.27 3kbu h SER 929 Cb 1.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3kbu h SER 929 CO 0.95 0.38 -1.28 0.03 -1.14 0.00 0.00 176.83 175.77 3kbu h ARG 930 N 0.78 0.21 -2.84 3.45 3.08 -1.91 -3.43 114.38 113.72 3kbu h ARG 930 Ca 0.46 -0.36 -0.55 0.00 0.07 0.00 0.00 59.98 59.59 3kbu h ARG 930 Cb 0.63 0.13 -0.40 0.00 0.08 0.00 0.00 29.97 30.42 3kbu h ARG 930 CO -0.22 1.13 -0.79 -1.01 -1.07 0.00 0.00 179.97 178.01 3kbu s HIS 931 N -2.66 0.69 0.54 3.04 3.76 -1.19 -5.01 115.29 114.47 3kbu s HIS 931 Ca -0.04 -1.27 0.23 0.00 -0.15 0.00 0.00 55.06 53.82 3kbu s HIS 931 Cb 0.08 -1.06 1.50 0.00 1.11 0.00 0.00 32.58 34.21 3kbu s HIS 931 CO 0.86 -0.83 2.18 -0.91 -0.85 0.00 0.00 174.74 175.19 3kbu h ASN 932 N 7.90 0.00 0.69 1.40 2.35 -1.82 -2.29 115.58 123.81 3kbu h ASN 932 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3kbu h ASN 932 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 3kbu h ASN 932 CO 0.40 0.02 -0.24 0.61 -1.65 0.00 0.00 177.43 176.57 3kbu n GLY 933 N -1.35 -1.30 3.73 2.83 0.00 -1.26 -4.47 105.19 103.36 3kbu n GLY 933 Ca -0.03 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3kbu n GLY 933 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kbu s LEU 934 N -2.93 4.38 -0.10 0.99 0.20 -0.87 -4.30 118.68 116.05 3kbu s LEU 934 Ca 0.15 1.36 -0.08 0.00 0.69 0.00 0.00 54.13 56.24 3kbu s LEU 934 Cb 0.18 -3.20 0.03 0.00 -0.43 0.00 0.00 46.19 42.77 3kbu s LEU 934 CO 0.60 -0.08 0.25 -0.60 -0.29 0.00 0.00 176.35 176.23 3kbu s ARG 935 N 0.47 0.29 -0.08 1.98 3.52 -0.45 -1.23 118.95 123.44 3kbu s ARG 935 Ca 0.40 0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 56.37 3kbu s ARG 935 Cb -0.19 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 3kbu s ARG 935 CO 0.21 -0.05 -0.04 0.08 -0.81 0.00 0.00 175.30 174.69 3kbu s VAL 936 N 0.29 0.69 -0.25 7.11 1.01 0.12 0.12 120.40 129.49 3kbu s VAL 936 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3kbu s VAL 936 Cb -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.65 3kbu s VAL 936 CO -0.01 0.30 -0.09 -0.69 0.00 0.00 0.00 175.10 174.61 3kbu s VAL 937 N 1.59 1.99 -0.45 2.92 1.01 0.25 -0.20 120.40 127.53 3kbu s VAL 937 Ca 0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 3kbu s VAL 937 Cb -0.13 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.21 3kbu s VAL 937 CO -0.05 -0.06 0.30 -0.63 0.00 0.00 0.00 175.10 174.67 3kbu s ILE 938 N 1.18 4.08 0.89 2.22 1.01 0.19 -2.18 121.20 128.59 3kbu s ILE 938 Ca -0.08 -1.70 -0.10 0.00 0.00 0.00 0.00 60.65 58.77 3kbu s ILE 938 Cb -0.20 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.77 3kbu s ILE 938 CO -0.05 -0.68 1.14 -2.84 0.00 0.00 0.00 174.94 172.51 3kbu s PRO 939 N 1.35 1.19 0.60 2.79 0.02 -1.26 0.13 135.00 139.82 3kbu s PRO 939 Ca 0.05 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 62.38 3kbu s PRO 939 Cb -0.25 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 3kbu s PRO 939 CO -0.00 -2.50 1.19 -2.30 -0.33 0.00 0.00 177.00 173.06 3kbu n PRO 940 N -4.13 1.19 -1.35 5.54 -0.02 -1.25 -2.61 135.00 132.37 3kbu n PRO 940 Ca 0.12 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 3kbu n PRO 940 Cb 0.52 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3kbu n PRO 940 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kbu n ARG 941 N -1.33 -1.45 -0.09 -0.52 5.12 0.24 -4.79 116.66 113.85 3kbu n ARG 941 Ca 0.14 0.90 -0.07 0.00 -1.93 0.00 0.00 57.85 56.89 3kbu n ARG 941 Cb 0.47 -5.19 -0.16 0.00 -1.16 0.00 0.00 32.46 26.41 3kbu n ARG 941 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kbu n THR 942 N -2.35 1.19 -3.89 0.55 -2.24 -1.07 -4.77 114.28 101.70 3kbu n THR 942 Ca -0.12 -0.81 -0.36 0.00 -2.27 0.00 0.00 64.05 60.50 3kbu n THR 942 Cb 0.55 -0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 3kbu n THR 942 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbu n ALA 944 N 4.38 2.29 -3.48 0.00 0.00 -1.26 -3.20 120.51 119.23 3kbu n ALA 944 Ca -0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 3kbu n ALA 944 Cb 0.52 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3kbu n ALA 944 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kbu s ALA 945 N -3.03 -1.76 0.05 0.00 0.00 -1.26 -4.89 121.76 110.88 3kbu s ALA 945 Ca 0.13 0.89 -0.33 0.00 0.00 0.00 0.00 51.96 52.65 3kbu s ALA 945 Cb 0.17 0.51 -0.12 0.00 0.00 0.00 0.00 23.12 23.68 3kbu s ALA 945 CO 0.53 -0.69 1.79 -2.30 0.00 0.00 0.00 175.76 175.09 3kbu n PRO 946 N -0.24 2.41 -4.09 0.00 -0.02 -1.26 -4.53 135.00 127.27 3kbu n PRO 946 Ca -0.11 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3kbu n PRO 946 Cb 0.62 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 3kbu n PRO 946 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kbu s THR 947 N 2.84 0.38 -0.41 3.45 2.01 0.24 -4.99 115.64 119.16 3kbu s THR 947 Ca 0.85 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.31 3kbu s THR 947 Cb -0.61 -0.36 0.06 0.00 0.01 0.00 0.00 72.50 71.60 3kbu s THR 947 CO 0.43 -0.05 0.26 -0.60 -0.69 0.00 0.00 174.62 173.97 3kbu s ARG 948 N -0.52 2.76 0.09 4.92 3.52 -1.26 -1.46 118.95 126.99 3kbu s ARG 948 Ca -0.02 -1.29 -0.21 0.00 -0.13 0.00 0.00 55.73 54.09 3kbu s ARG 948 Cb -0.04 -3.82 -0.07 0.00 -1.56 0.00 0.00 34.95 29.46 3kbu s ARG 948 CO -0.00 -0.86 0.61 0.42 -0.81 0.00 0.00 175.30 174.66 3kbu s ILE 949 N 1.51 4.66 0.07 4.11 -1.09 -0.36 -4.09 121.20 126.01 3kbu s ILE 949 Ca 0.03 1.33 0.06 0.00 -2.23 0.00 0.00 60.65 59.83 3kbu s ILE 949 Cb -0.22 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 3kbu s ILE 949 CO 0.05 0.55 -0.16 0.42 -1.23 0.00 0.00 174.94 174.56 3kbu s THR 950 N -1.11 1.29 -0.22 2.92 -4.23 0.15 -1.46 115.64 112.98 3kbu s THR 950 Ca 0.30 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3kbu s THR 950 Cb -0.20 -1.19 0.11 0.00 1.34 0.00 0.00 72.50 72.55 3kbu s THR 950 CO 0.21 -0.09 0.29 0.00 -0.54 0.00 0.00 174.62 174.48 3kbu s ARG 952 N 2.42 2.08 -0.33 0.00 0.52 -0.68 -4.54 118.95 118.42 3kbu s ARG 952 Ca 0.09 -0.99 -0.06 0.00 -0.52 0.00 0.00 55.73 54.25 3kbu s ARG 952 Cb -0.15 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.14 3kbu s ARG 952 CO -0.13 0.54 0.10 -0.51 0.02 0.00 0.00 175.30 175.31 3kbu s LEU 953 N -1.56 4.23 -0.09 2.53 1.43 -1.26 -1.50 118.68 122.46 3kbu s LEU 953 Ca 0.16 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 3kbu s LEU 953 Cb -0.11 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3kbu s LEU 953 CO 0.06 -0.31 -0.04 -0.69 0.23 0.00 0.00 176.35 175.61 3kbu s VAL 954 N 1.41 3.97 0.18 -1.59 1.01 -0.24 -4.91 120.40 120.24 3kbu s VAL 954 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3kbu s VAL 954 Cb -0.19 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 3kbu s VAL 954 CO 0.03 0.59 1.28 -0.54 0.00 0.00 0.00 175.10 176.45 3kbu s LYS 955 N -0.70 4.41 0.43 2.72 1.02 -1.26 -0.98 119.74 125.38 3kbu s LYS 955 Ca 0.11 1.99 0.20 0.00 0.02 0.00 0.00 55.97 58.29 3kbu s LYS 955 Cb -0.11 -3.22 1.14 0.00 -0.52 0.00 0.00 37.83 35.12 3kbu s LYS 955 CO 0.02 -0.22 1.85 -1.35 -0.92 0.00 0.00 175.35 174.73 3kbu h PRO 956 N 5.48 0.34 0.00 -1.68 0.10 -1.96 -0.34 132.00 133.95 3kbu h PRO 956 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.64 3kbu h PRO 956 Cb 1.21 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.24 3kbu h PRO 956 CO 0.77 0.22 0.00 0.00 0.10 0.00 0.00 178.00 179.10 3kbu n GLN 957 N -4.49 0.45 0.19 1.05 0.00 -1.26 -2.38 117.38 110.93 3kbu n GLN 957 Ca 0.20 0.04 0.06 0.00 0.00 0.00 0.00 57.00 57.30 3kbu n GLN 957 Cb 0.76 -1.50 0.32 0.00 0.00 0.00 0.00 30.24 29.82 3kbu n GLN 957 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3kbu h LYS 958 N 0.00 0.00 -6.82 2.61 1.79 -1.43 -3.45 116.57 109.26 3kbu h LYS 958 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 3kbu h LYS 958 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3kbu h LYS 958 CO 0.00 0.37 0.38 -0.51 -1.08 0.00 0.00 179.45 178.61 3kbu s LEU 959 N -6.98 4.49 0.12 2.94 1.02 -1.00 -4.97 118.68 114.29 3kbu s LEU 959 Ca 0.00 1.99 -0.01 0.00 0.02 0.00 0.00 54.13 56.14 3kbu s LEU 959 Cb 0.11 -3.79 -0.13 0.00 0.02 0.00 0.00 46.19 42.39 3kbu s LEU 959 CO 0.69 -0.04 1.28 0.77 0.02 0.00 0.00 176.35 179.07 3kbu h SER 960 N 3.63 0.35 -3.43 2.29 4.64 -1.88 -3.39 113.55 115.75 3kbu h SER 960 Ca -0.46 -0.32 -0.62 0.00 -0.47 0.00 0.00 61.79 59.92 3kbu h SER 960 Cb 1.20 -0.11 -0.40 0.00 -0.31 0.00 0.00 62.40 62.78 3kbu h SER 960 CO 0.66 1.17 -0.74 0.42 -0.87 0.00 0.00 176.83 177.47 3kbu s THR 961 N -3.00 1.57 0.90 2.95 -4.23 -1.26 -5.14 115.64 107.43 3kbu s THR 961 Ca -0.03 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 58.50 3kbu s THR 961 Cb 0.09 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.93 3kbu s THR 961 CO 0.85 -0.61 1.26 -2.16 -0.54 0.00 0.00 174.62 173.42 3kbu s PRO 962 N 1.27 1.10 0.12 3.99 0.05 -1.26 -4.77 135.00 135.49 3kbu s PRO 962 Ca 0.10 -0.29 -0.31 0.00 0.05 0.00 0.00 61.00 60.54 3kbu s PRO 962 Cb -0.18 -1.91 -0.09 0.00 0.05 0.00 0.00 34.50 32.37 3kbu s PRO 962 CO -0.16 -2.11 1.61 -2.14 0.05 0.00 0.00 177.00 174.25 3kbu s PRO 963 N -5.75 4.20 0.10 0.56 0.02 -1.26 -4.94 135.00 127.93 3kbu s PRO 963 Ca 0.70 2.35 -0.31 0.00 0.02 0.00 0.00 61.00 63.77 3kbu s PRO 963 Cb -0.06 -3.37 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 3kbu s PRO 963 CO 0.51 -0.67 1.68 -2.14 -0.33 0.00 0.00 177.00 176.05 3kbu s PRO 964 N 1.87 4.19 -0.02 5.54 0.02 -1.26 -5.01 135.00 140.33 3kbu s PRO 964 Ca 0.72 2.39 0.07 0.00 0.02 0.00 0.00 61.00 64.21 3kbu s PRO 964 Cb -0.42 -3.52 -0.02 0.00 0.02 0.00 0.00 34.50 30.56 3kbu s PRO 964 CO 0.32 -0.74 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.51 3kbu s LEU 965 N 2.39 2.26 0.91 -5.54 1.43 -1.26 -5.13 118.68 113.74 3kbu s LEU 965 Ca 0.75 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 3kbu s LEU 965 Cb -0.42 -1.40 0.17 0.00 0.03 0.00 0.00 46.19 44.57 3kbu s LEU 965 CO 0.33 0.32 1.27 0.00 0.23 0.00 0.00 176.35 178.49 3kbu s ALA 966 N -0.67 2.43 0.23 4.21 0.00 -1.26 -4.97 121.76 121.72 3kbu s ALA 966 Ca 0.11 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 3kbu s ALA 966 Cb -0.10 -2.76 0.36 0.00 0.00 0.00 0.00 23.12 20.63 3kbu s ALA 966 CO -0.00 -2.21 1.66 0.93 0.00 0.00 0.00 175.76 176.14 3kbu h GLU 967 N -1.44 0.15 -0.72 0.00 5.08 -2.03 -2.24 114.58 113.37 3kbu h GLU 967 Ca -0.44 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.57 3kbu h GLU 967 Cb 1.26 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.27 3kbu h GLU 967 CO 0.44 0.10 0.34 0.39 -1.00 0.00 0.00 179.01 179.27 3kbu n GLU 968 N -5.26 2.38 -4.21 2.33 1.02 -1.26 -4.97 120.64 110.67 3kbu n GLU 968 Ca 0.11 -3.07 -0.30 0.00 -0.02 0.00 0.00 57.16 53.88 3kbu n GLU 968 Cb 0.40 -2.06 -0.09 0.00 -0.02 0.00 0.00 31.44 29.67 3kbu n GLU 968 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kbu s GLU 969 N -3.22 2.32 0.11 3.49 2.02 -0.85 -4.68 118.70 117.90 3kbu s GLU 969 Ca 0.52 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 3kbu s GLU 969 Cb 0.45 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 3kbu s GLU 969 CO 0.08 0.53 0.20 0.20 0.02 0.00 0.00 175.26 176.29 3kbu s GLY 970 N -2.19 0.25 0.05 -1.39 0.00 -0.93 -4.84 107.32 98.27 3kbu s GLY 970 Ca 0.23 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 3kbu s GLY 970 CO 0.15 -0.86 0.65 1.08 0.00 0.00 0.00 173.10 174.12 3kbu s LEU 971 N -2.90 4.47 0.00 0.66 1.43 -1.26 -0.63 118.68 120.45 3kbu s LEU 971 Ca 0.09 1.30 0.09 0.00 -1.03 0.00 0.00 54.13 54.59 3kbu s LEU 971 Cb 0.05 -3.02 0.23 0.00 0.03 0.00 0.00 46.19 43.47 3kbu s LEU 971 CO -0.07 0.14 1.14 0.00 0.23 0.00 0.00 176.35 177.79 3kbu n ALA 972 N 2.35 2.21 -3.58 4.21 0.00 0.12 -4.86 120.51 120.97 3kbu n ALA 972 Ca -0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 3kbu n ALA 972 Cb 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 3kbu n ALA 972 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kbu s SER 973 N -0.96 0.13 0.93 0.00 1.04 -1.13 -0.69 113.70 113.01 3kbu s SER 973 Ca 0.18 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.38 3kbu s SER 973 Cb 0.10 0.77 0.15 0.00 0.10 0.00 0.00 66.02 67.14 3kbu s SER 973 CO 0.13 -1.51 1.13 -0.13 0.98 0.00 0.00 173.24 173.85 3kbu s ARG 974 N -2.89 0.98 0.23 4.02 0.52 -1.26 -4.72 118.95 115.83 3kbu s ARG 974 Ca 0.18 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.39 3kbu s ARG 974 Cb -0.04 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.52 3kbu s ARG 974 CO 0.12 -2.31 1.28 0.42 0.02 0.00 0.00 175.30 174.83 3kbu s ILE 975 N -3.24 3.20 -0.21 1.52 -1.09 -0.15 -4.56 121.20 116.66 3kbu s ILE 975 Ca 0.64 1.04 -0.05 0.00 -2.23 0.00 0.00 60.65 60.06 3kbu s ILE 975 Cb -0.15 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 3kbu s ILE 975 CO 0.54 0.18 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.79 3kbu s ILE 976 N -0.23 3.74 -0.35 2.92 1.01 0.49 -1.07 121.20 127.71 3kbu s ILE 976 Ca 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 3kbu s ILE 976 Cb -0.36 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.49 3kbu s ILE 976 CO 0.41 0.42 0.09 0.00 0.00 0.00 0.00 174.94 175.85 3kbu s ALA 977 N 1.22 2.95 -0.13 9.38 0.00 -0.56 -0.70 121.76 133.92 3kbu s ALA 977 Ca 0.03 -2.23 -0.09 0.00 0.00 0.00 0.00 51.96 49.67 3kbu s ALA 977 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3kbu s ALA 977 CO 0.00 -1.57 0.18 -0.51 0.00 0.00 0.00 175.76 173.86 3kbu s LEU 978 N 1.13 4.35 0.10 0.00 1.43 -1.25 -1.69 118.68 122.75 3kbu s LEU 978 Ca 0.03 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3kbu s LEU 978 Cb -0.21 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3kbu s LEU 978 CO -0.04 0.34 -0.06 -0.83 0.23 0.00 0.00 176.35 175.99 3kbu s GLY 979 N -0.67 0.80 0.25 -3.19 0.00 0.12 -3.90 107.32 100.74 3kbu s GLY 979 Ca 0.15 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 3kbu s GLY 979 CO 0.04 -1.46 1.25 -4.14 0.00 0.00 0.00 173.10 168.79 3kbu s PRO 980 N -3.85 4.45 -0.00 2.90 0.02 -1.26 -0.68 135.00 136.58 3kbu s PRO 980 Ca 0.13 2.02 -0.37 0.00 0.02 0.00 0.00 61.00 62.80 3kbu s PRO 980 Cb 0.05 -3.17 -0.16 0.00 0.02 0.00 0.00 34.50 31.25 3kbu s PRO 980 CO -0.04 -0.11 1.50 2.41 -0.33 0.00 0.00 177.00 180.43 3kbu n THR 981 N 1.81 0.11 -0.36 0.99 -1.04 -1.25 -2.17 114.28 112.37 3kbu n THR 981 Ca 0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3kbu n THR 981 Cb 0.43 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3kbu n THR 981 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kbu n GLY 982 N 3.15 0.74 3.75 3.41 0.00 -0.24 -5.03 105.19 110.97 3kbu n GLY 982 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kbu n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbu s ALA 983 N -2.42 3.57 -0.14 4.61 0.00 -0.92 -4.72 121.76 121.74 3kbu s ALA 983 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 3kbu s ALA 983 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3kbu s ALA 983 CO 0.00 -0.67 -0.05 -0.65 0.00 0.00 0.00 175.76 174.39 3kbu s GLN 984 N -0.68 3.51 0.24 0.00 -1.52 -1.26 -1.42 119.66 118.53 3kbu s GLN 984 Ca 0.56 -0.54 0.06 0.00 -1.95 0.00 0.00 55.36 53.50 3kbu s GLN 984 Cb -0.40 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 3kbu s GLN 984 CO 0.45 0.31 0.22 -0.06 -0.25 0.00 0.00 175.29 175.96 3kbu s PHE 985 N 0.17 3.19 -1.19 0.91 0.08 -0.36 -4.87 117.98 115.92 3kbu s PHE 985 Ca -0.02 -0.08 0.27 0.00 0.12 0.00 0.00 56.93 57.22 3kbu s PHE 985 Cb -0.14 -1.45 1.26 0.00 -0.57 0.00 0.00 43.02 42.12 3kbu s PHE 985 CO 0.03 0.51 1.91 1.28 -0.10 0.00 0.00 175.22 178.84 3kbu n LEU 986 N -1.11 0.00 -3.60 -0.37 4.77 -0.14 -4.80 117.00 111.75 3kbu n LEU 986 Ca -0.08 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3kbu n LEU 986 Cb 0.57 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3kbu n LEU 986 CO 0.44 -0.03 0.69 -0.55 -1.33 0.00 0.00 177.39 176.60 3kbu s SER 987 N -2.81 -0.47 0.18 -1.43 0.15 -1.26 -5.03 113.70 103.03 3kbu s SER 987 Ca 0.19 0.70 -0.29 0.00 0.70 0.00 0.00 55.95 57.24 3kbu s SER 987 Cb 0.18 0.64 -0.17 0.00 -1.71 0.00 0.00 66.02 64.95 3kbu s SER 987 CO 0.46 -0.30 0.59 -2.65 1.20 0.00 0.00 173.24 172.54 3kbu n PRO 988 N 1.45 0.01 -4.28 5.44 -0.01 -1.26 -4.84 135.00 131.50 3kbu n PRO 988 Ca -0.13 0.00 -0.27 0.00 -0.01 0.00 0.00 63.50 63.10 3kbu n PRO 988 Cb 0.57 -1.06 -0.09 0.00 -0.01 0.00 0.00 33.50 32.90 3kbu n PRO 988 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3kbu s VAL 989 N -0.89 3.21 -0.10 -1.45 -7.23 0.14 -4.75 120.40 109.33 3kbu s VAL 989 Ca 0.67 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3kbu s VAL 989 Cb -0.97 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 3kbu s VAL 989 CO 0.56 -0.09 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.51 3kbu s ILE 990 N -1.65 3.14 -0.07 -0.62 1.01 -0.92 -2.21 121.20 119.87 3kbu s ILE 990 Ca 0.24 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3kbu s ILE 990 Cb -0.09 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.10 3kbu s ILE 990 CO 0.15 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 174.82 3kbu s VAL 991 N -0.06 1.19 -0.13 2.92 1.01 -0.37 -0.58 120.40 124.38 3kbu s VAL 991 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kbu s VAL 991 Cb -0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3kbu s VAL 991 CO 0.04 0.37 -0.09 -1.61 0.00 0.00 0.00 175.10 173.80 3kbu s GLU 992 N 0.60 3.40 -0.09 2.72 2.02 0.32 -0.38 118.70 127.29 3kbu s GLU 992 Ca -0.14 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.26 3kbu s GLU 992 Cb -0.16 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.36 3kbu s GLU 992 CO 0.04 0.28 -0.16 0.42 0.02 0.00 0.00 175.26 175.86 3kbu s ILE 993 N 0.20 1.52 0.38 -1.63 -1.09 0.33 -1.34 121.20 119.58 3kbu s ILE 993 Ca -0.05 -0.68 -0.21 0.00 -2.23 0.00 0.00 60.65 57.47 3kbu s ILE 993 Cb -0.15 -1.37 -0.10 0.00 -1.58 0.00 0.00 42.46 39.26 3kbu s ILE 993 CO 0.04 0.44 0.90 -2.84 -1.23 0.00 0.00 174.94 172.26 3kbu s PRO 994 N 0.75 4.27 0.34 2.79 0.02 -1.26 -0.04 135.00 141.86 3kbu s PRO 994 Ca -0.12 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.02 3kbu s PRO 994 Cb -0.16 -2.38 -0.06 0.00 0.02 0.00 0.00 34.50 31.92 3kbu s PRO 994 CO 0.02 0.09 0.07 -3.38 -0.33 0.00 0.00 177.00 173.47 3kbu s HIS 995 N -2.00 1.90 0.68 6.54 -3.43 -0.35 -4.81 115.29 113.82 3kbu s HIS 995 Ca 0.57 -1.03 -0.11 0.00 -0.80 0.00 0.00 55.06 53.70 3kbu s HIS 995 Cb -0.12 -1.24 -0.00 0.00 -1.43 0.00 0.00 32.58 29.79 3kbu s HIS 995 CO 0.16 -0.06 1.05 -0.06 -2.00 0.00 0.00 174.74 173.83 3kbu s PHE 996 N -3.31 3.30 0.58 0.38 0.08 0.13 -4.83 117.98 114.31 3kbu s PHE 996 Ca 0.34 1.32 -0.19 0.00 0.12 0.00 0.00 56.93 58.52 3kbu s PHE 996 Cb 0.08 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 3kbu s PHE 996 CO 0.15 -1.07 1.24 0.00 -0.10 0.00 0.00 175.22 175.44 3kbu s ALA 997 N -3.13 2.60 0.27 5.36 0.00 -1.26 -4.99 121.76 120.60 3kbu s ALA 997 Ca 0.57 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.67 3kbu s ALA 997 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3kbu s ALA 997 CO 0.54 -1.23 0.41 -1.54 0.00 0.00 0.00 175.76 173.94 3kbu s SER 998 N -1.44 6.26 -0.08 0.00 1.04 -1.26 -5.07 113.70 113.14 3kbu s SER 998 Ca 0.76 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 57.17 3kbu s SER 998 Cb -0.33 -1.78 0.03 0.00 0.10 0.00 0.00 66.02 64.03 3kbu s SER 998 CO 0.37 -0.16 0.28 -1.38 0.98 0.00 0.00 173.24 173.32 3kbu s HIS 999 N -2.06 -0.27 0.00 5.02 -3.43 -1.26 -4.85 115.29 108.44 3kbu s HIS 999 Ca 0.37 0.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 3kbu s HIS 999 Cb -0.09 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 3kbu s HIS 999 CO 0.30 -0.20 0.00 0.41 -2.00 0.00 0.00 174.74 173.25 3kbu n GLY 1000N 2.55 2.00 0.00 -1.38 0.00 -1.26 -5.12 105.19 101.98 3kbu n GLY 1000Ca -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3kbu n GLY 1000CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbu n ARG 1004N 0.00 0.00 -4.81 1.61 1.74 -1.26 -5.29 116.66 108.65 3kbu n ARG 1004Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3kbu n ARG 1004Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 3kbu n ARG 1004CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kbu s GLU 1005N 0.00 2.96 -0.10 5.56 2.12 -1.22 -5.02 118.70 122.99 3kbu s GLU 1005Ca 0.00 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3kbu s GLU 1005Cb 0.00 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 3kbu s GLU 1005CO 0.00 0.42 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.52 3kbu s LEU 1006N -0.20 2.89 0.09 2.70 1.43 -1.26 -1.27 118.68 123.06 3kbu s LEU 1006Ca 0.00 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3kbu s LEU 1006Cb -0.13 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3kbu s LEU 1006CO 0.03 0.25 -0.08 0.68 0.23 0.00 0.00 176.35 177.47 3kbu s VAL 1007N -0.16 0.73 -0.14 -1.59 -7.23 -0.76 -5.00 120.40 106.23 3kbu s VAL 1007Ca 0.01 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 3kbu s VAL 1007Cb -0.13 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 3kbu s VAL 1007CO 0.03 -0.68 0.02 -0.69 -0.31 0.00 0.00 175.10 173.47 3kbu s VAL 1008N -2.80 4.41 0.12 1.32 1.01 -1.26 -2.04 120.40 121.15 3kbu s VAL 1008Ca 0.05 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.92 3kbu s VAL 1008Cb -0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kbu s VAL 1008CO -0.02 0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 174.73 3kbu s LEU 1009N -0.04 3.00 0.03 3.92 1.43 -0.39 -0.22 118.68 126.41 3kbu s LEU 1009Ca 0.04 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3kbu s LEU 1009Cb -0.13 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3kbu s LEU 1009CO 0.02 0.16 -0.03 0.00 0.23 0.00 0.00 176.35 176.73 3kbu s ARG 1010N -2.32 0.36 -0.06 1.70 1.70 0.79 -1.21 118.95 119.92 3kbu s ARG 1010Ca 0.22 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 3kbu s ARG 1010Cb -0.11 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.39 3kbu s ARG 1010CO 0.14 -0.05 -0.04 0.45 -1.08 0.00 0.00 175.30 174.72 3kbu s SER 1011N -1.64 1.24 0.02 -2.89 0.15 -1.06 -1.14 113.70 108.38 3kbu s SER 1011Ca -0.13 -0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.15 3kbu s SER 1011Cb -0.08 -0.49 -0.17 0.00 -1.71 0.00 0.00 66.02 63.57 3kbu s SER 1011CO -0.02 -0.09 1.39 -0.33 1.20 0.00 0.00 173.24 175.39 3kbu h GLU 1012N 7.53 0.12 0.00 5.44 4.39 -1.88 -2.17 114.58 128.01 3kbu h GLU 1012Ca -0.32 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3kbu h GLU 1012Cb 1.15 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3kbu h GLU 1012CO 0.41 0.47 0.00 0.27 -1.16 0.00 0.00 179.01 179.00 3kbu n ASN 1013N -4.81 0.92 0.00 1.42 0.23 -1.26 -2.50 115.26 109.25 3kbu n ASN 1013Ca -0.07 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 3kbu n ASN 1013Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3kbu n ASN 1013CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kbu n GLY 1014N -0.01 0.47 0.05 4.83 0.00 -1.26 -4.93 105.19 104.33 3kbu n GLY 1014Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3kbu n GLY 1014CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kbu n SER 1015N 0.00 0.03 -4.09 1.61 3.41 -1.26 -4.66 113.62 108.67 3kbu n SER 1015Ca 0.00 0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 3kbu n SER 1015Cb 0.00 1.55 -0.17 0.00 -0.26 0.00 0.00 64.21 65.33 3kbu n SER 1015CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kbu s VAL 1016N -3.11 1.49 -0.23 -3.33 1.01 -1.26 -5.05 120.40 109.92 3kbu s VAL 1016Ca -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3kbu s VAL 1016Cb 0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3kbu s VAL 1016CO 0.88 0.43 -0.01 0.26 0.00 0.00 0.00 175.10 176.66 3kbu s TRP 1017N 0.67 3.00 0.32 5.22 0.52 -1.26 -4.08 118.94 123.33 3kbu s TRP 1017Ca -0.13 -0.75 0.08 0.00 0.02 0.00 0.00 56.10 55.32 3kbu s TRP 1017Cb -0.16 -2.14 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 3kbu s TRP 1017CO 0.04 -0.47 -0.08 -1.59 0.02 0.00 0.00 176.95 174.86 3kbu s LYS 1018N 1.50 1.71 0.33 4.98 -2.85 -0.29 -4.93 119.74 120.17 3kbu s LYS 1018Ca 0.06 -1.87 -0.26 0.00 -1.00 0.00 0.00 55.97 52.89 3kbu s LYS 1018Cb -0.15 -1.48 -0.10 0.00 -2.06 0.00 0.00 37.83 34.05 3kbu s LYS 1018CO -0.01 0.10 0.98 -2.00 0.10 0.00 0.00 175.35 174.52 3kbu s GLU 1019N -3.66 4.53 -0.15 1.78 2.12 -1.26 -0.15 118.70 121.92 3kbu s GLU 1019Ca 0.31 1.43 -0.15 0.00 0.36 0.00 0.00 54.97 56.92 3kbu s GLU 1019Cb 0.03 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.54 3kbu s GLU 1019CO 0.15 0.21 0.33 -1.58 -0.54 0.00 0.00 175.26 173.83 3kbu s HIS 1020N -1.54 3.48 0.04 5.30 5.65 0.69 -4.80 115.29 124.11 3kbu s HIS 1020Ca 0.50 0.67 0.03 0.00 0.25 0.00 0.00 55.06 56.51 3kbu s HIS 1020Cb -0.21 -2.38 -0.02 0.00 -1.18 0.00 0.00 32.58 28.79 3kbu s HIS 1020CO 0.27 0.24 -0.09 1.03 -0.65 0.00 0.00 174.74 175.54 3kbu s ARG 1021N 0.43 0.59 0.00 2.88 0.52 -1.26 -4.77 118.95 117.33 3kbu s ARG 1021Ca 0.19 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 3kbu s ARG 1021Cb -0.13 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 34.90 3kbu s ARG 1021CO 0.05 0.09 0.00 0.45 0.02 0.00 0.00 175.30 175.92 3kbu n SER 1022N 1.65 0.00 0.00 0.23 2.88 -1.26 -5.04 113.62 112.07 3kbu n SER 1022Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 3kbu n SER 1022Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3kbu n SER 1022CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kbu n GLY 1025N 3.91 -0.84 0.06 0.46 0.00 -1.26 -5.16 105.19 102.36 3kbu n GLY 1025Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 3kbu n GLY 1025CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kbu n GLU 1026N -0.65 -0.06 0.25 1.61 -0.58 -1.26 -1.89 120.64 118.05 3kbu n GLU 1026Ca 0.00 0.38 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 3kbu n GLU 1026Cb 0.00 -0.56 0.62 0.00 -0.57 0.00 0.00 31.44 30.93 3kbu n GLU 1026CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3kbu h SER 1027N 0.00 0.00 0.38 1.62 4.64 -2.07 -2.97 113.55 115.16 3kbu h SER 1027Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3kbu h SER 1027Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kbu h SER 1027CO -0.13 0.16 0.00 -1.22 -0.87 0.00 0.00 176.83 174.77 3kbu n TYR 1028N -3.48 0.00 -0.09 4.77 4.02 -0.79 -4.19 117.16 117.40 3kbu n TYR 1028Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 3kbu n TYR 1028Cb 0.32 -0.22 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 3kbu n TYR 1028CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3kbu h LEU 1029N 0.00 -0.85 -0.44 7.72 3.38 -1.64 0.16 115.31 123.65 3kbu h LEU 1029Ca 0.00 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.22 3kbu h LEU 1029Cb 0.19 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3kbu h LEU 1029CO 0.00 -0.28 -0.06 0.44 0.09 0.00 0.00 178.44 178.63 3kbu h ASP 1030N -0.22 -0.31 -0.37 -0.43 3.32 -1.86 0.11 116.42 116.66 3kbu h ASP 1030Ca 0.16 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kbu h ASP 1030Cb 0.48 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3kbu h ASP 1030CO -0.46 -0.11 0.21 -0.61 -1.72 0.00 0.00 179.24 176.56 3kbu h GLN 1031N 0.05 0.50 -0.71 3.56 4.15 -1.76 -2.99 115.11 117.90 3kbu h GLN 1031Ca 0.21 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.65 3kbu h GLN 1031Cb 0.32 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 3kbu h GLN 1031CO -0.41 0.40 0.40 0.82 -1.93 0.00 0.00 178.83 178.10 3kbu h ILE 1032N 0.47 0.96 0.00 2.39 2.04 0.12 -1.44 117.51 122.06 3kbu h ILE 1032Ca 0.13 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3kbu h ILE 1032Cb 0.03 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3kbu h ILE 1032CO -0.02 0.13 0.01 0.18 0.00 0.00 0.00 178.15 178.44 3kbu n LEU 1033N -4.77 0.55 -4.27 1.44 4.77 0.31 -4.82 117.00 110.22 3kbu n LEU 1033Ca 0.10 0.76 -0.34 0.00 -0.03 0.00 0.00 56.01 56.50 3kbu n LEU 1033Cb 0.19 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.37 3kbu n LEU 1033CO 0.29 -0.95 -0.33 -3.20 -1.33 0.00 0.00 177.39 171.87 3kbu n ASN 1034N -2.25 -0.13 0.00 -1.43 5.15 -0.54 -1.57 115.26 114.49 3kbu n ASN 1034Ca -0.01 -1.19 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 3kbu n ASN 1034Cb 0.04 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.79 3kbu n ASN 1034CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kbu n GLY 1035N -1.92 2.74 3.67 8.20 0.00 -1.26 -4.70 105.19 111.92 3kbu n GLY 1035Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3kbu n GLY 1035CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kbu n MET 1036N -2.00 1.48 -3.59 1.61 0.00 -0.61 -4.98 117.12 109.04 3kbu n MET 1036Ca 0.00 0.54 -0.40 0.00 0.00 0.00 0.00 57.70 57.84 3kbu n MET 1036Cb 0.00 -2.28 -0.08 0.00 0.00 0.00 0.00 33.22 30.85 3kbu n MET 1036CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3kbu s ASP 1037N -0.84 5.68 0.09 6.12 3.84 -1.26 -4.96 116.67 125.34 3kbu s ASP 1037Ca 0.67 -2.25 0.10 0.00 -0.00 0.00 0.00 52.55 51.07 3kbu s ASP 1037Cb -0.48 -1.98 -0.03 0.00 -1.38 0.00 0.00 42.92 39.05 3kbu s ASP 1037CO 0.53 -0.59 -0.25 -1.61 -0.00 0.00 0.00 175.17 173.26 3kbu s GLU 1038N 0.85 1.43 -0.30 2.11 0.41 -1.26 -5.11 118.70 116.83 3kbu s GLU 1038Ca 0.10 -1.21 -0.20 0.00 -0.41 0.00 0.00 54.97 53.25 3kbu s GLU 1038Cb -0.22 -1.76 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 3kbu s GLU 1038CO -0.03 0.43 0.62 -1.21 -0.49 0.00 0.00 175.26 174.58 3kbu s GLU 1039N -1.74 3.90 -0.04 1.61 0.41 -1.26 -5.05 118.70 116.53 3kbu s GLU 1039Ca 0.11 0.29 -0.08 0.00 -0.41 0.00 0.00 54.97 54.88 3kbu s GLU 1039Cb -0.10 -3.73 -0.05 0.00 -1.78 0.00 0.00 34.13 28.48 3kbu s GLU 1039CO 0.04 -0.56 0.24 -0.51 -0.49 0.00 0.00 175.26 173.98 3kbu s LEU 1040N 2.59 4.40 0.84 1.80 1.43 -1.26 -5.09 118.68 123.38 3kbu s LEU 1040Ca 0.25 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3kbu s LEU 1040Cb -0.15 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.75 3kbu s LEU 1040CO 0.12 0.33 1.14 -0.83 0.23 0.00 0.00 176.35 177.34 3kbu s GLY 1041N -1.35 1.82 0.40 -3.19 0.00 -1.26 -4.98 107.32 98.76 3kbu s GLY 1041Ca 0.22 0.57 -0.24 0.00 0.00 0.00 0.00 44.72 45.26 3kbu s GLY 1041CO 0.11 0.96 0.87 1.44 0.00 0.00 0.00 173.10 176.48 3kbu n SER 1042N -3.72 0.59 -0.02 1.64 7.64 -1.26 -4.84 113.62 113.65 3kbu n SER 1042Ca 0.11 1.02 0.04 0.00 1.01 0.00 0.00 58.87 61.06 3kbu n SER 1042Cb 0.52 -1.27 0.42 0.00 -1.01 0.00 0.00 64.21 62.88 3kbu n SER 1042CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3kbu h LEU 1043N 1.37 0.48 -0.49 -3.43 5.85 -2.00 -0.10 115.31 116.99 3kbu h LEU 1043Ca -0.42 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 3kbu h LEU 1043Cb 1.36 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kbu h LEU 1043CO 0.56 0.35 -0.72 1.05 -0.34 0.00 0.00 178.44 179.34 3kbu h GLU 1044N 0.57 0.24 -0.00 1.25 9.09 -1.99 -2.57 114.58 121.17 3kbu h GLU 1044Ca 0.16 -0.20 -0.09 0.00 0.05 0.00 0.00 59.36 59.28 3kbu h GLU 1044Cb -0.03 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 3kbu h GLU 1044CO -0.04 0.86 -0.44 1.49 0.05 0.00 0.00 179.01 180.93 3kbu h GLU 1045N 0.16 0.00 -0.29 1.06 4.81 -1.54 -1.92 114.58 116.86 3kbu h GLU 1045Ca -0.02 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 3kbu h GLU 1045Cb 1.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3kbu h GLU 1045CO 0.11 0.44 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.30 3kbu h LEU 1046N 0.00 0.84 -0.94 1.64 4.07 -0.99 -2.38 115.31 117.55 3kbu h LEU 1046Ca -0.00 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.55 3kbu h LEU 1046Cb 0.79 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.24 3kbu h LEU 1046CO 0.06 1.17 0.60 -0.08 -1.08 0.00 0.00 178.44 179.11 3kbu h GLU 1047N 0.61 1.26 -0.54 1.13 4.81 -1.14 -0.62 114.58 120.09 3kbu h GLU 1047Ca 0.03 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3kbu h GLU 1047Cb 1.04 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3kbu h GLU 1047CO 0.10 0.86 0.01 -0.22 -0.73 0.00 0.00 179.01 179.03 3kbu h LYS 1048N 1.29 0.95 0.00 1.92 3.64 -1.21 -2.59 116.57 120.58 3kbu h LYS 1048Ca 0.34 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kbu h LYS 1048Cb -0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3kbu h LYS 1048CO -0.07 0.96 0.00 1.63 -2.27 0.00 0.00 179.45 179.70 3kbu n LYS 1049N -4.27 0.24 -3.24 1.90 5.02 -0.91 -4.96 118.16 111.94 3kbu n LYS 1049Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 3kbu n LYS 1049Cb 0.32 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 3kbu n LYS 1049CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kbu n ARG 1050N -1.38 -1.80 -3.97 1.97 1.74 -0.31 -4.85 116.66 108.07 3kbu n ARG 1050Ca 0.11 1.06 -0.14 0.00 -0.77 0.00 0.00 57.85 58.11 3kbu n ARG 1050Cb 0.28 -5.55 -0.14 0.00 -1.02 0.00 0.00 32.46 26.03 3kbu n ARG 1050CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kbu s VAL 1051N -3.24 0.16 -0.03 1.55 1.01 -0.79 -1.21 120.40 117.85 3kbu s VAL 1051Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3kbu s VAL 1051Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3kbu s VAL 1051CO 0.76 0.05 0.04 0.00 0.00 0.00 0.00 175.10 175.95 3kbu s ARG 1053N -1.41 3.57 -0.19 0.00 3.52 -1.26 -0.51 118.95 122.66 3kbu s ARG 1053Ca 0.19 -0.53 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 3kbu s ARG 1053Cb -0.12 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3kbu s ARG 1053CO 0.09 -0.15 -0.00 0.42 -0.81 0.00 0.00 175.30 174.85 3kbu s ILE 1054N 1.44 4.00 -0.26 4.11 1.01 0.48 -4.97 121.20 127.00 3kbu s ILE 1054Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3kbu s ILE 1054Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3kbu s ILE 1054CO 0.01 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.78 3kbu s ILE 1055N 0.89 3.62 0.04 2.92 1.01 -1.26 -1.23 121.20 127.19 3kbu s ILE 1055Ca 0.01 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3kbu s ILE 1055Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3kbu s ILE 1055CO 0.02 0.22 -0.05 0.28 0.00 0.00 0.00 174.94 175.41 3kbu s THR 1056N 1.47 0.29 -1.56 2.92 -1.32 -0.94 -4.67 115.64 111.83 3kbu s THR 1056Ca 0.03 -1.13 0.14 0.00 -1.21 0.00 0.00 61.69 59.52 3kbu s THR 1056Cb -0.16 -0.60 0.19 0.00 -1.51 0.00 0.00 72.50 70.42 3kbu s THR 1056CO -0.00 -0.54 1.05 0.35 -2.21 0.00 0.00 174.62 173.26 3kbu n THR 1057N 1.29 0.29 -3.96 5.08 -2.24 -1.26 -0.69 114.28 112.79 3kbu n THR 1057Ca -0.22 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.82 3kbu n THR 1057Cb 0.56 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 3kbu n THR 1057CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kbu s ASP 1058N -1.11 0.03 -0.39 3.42 -4.77 -1.26 -1.22 116.67 111.37 3kbu s ASP 1058Ca 0.20 -0.87 -0.14 0.00 -3.30 0.00 0.00 52.55 48.43 3kbu s ASP 1058Cb 0.13 0.44 0.01 0.00 -1.09 0.00 0.00 42.92 42.41 3kbu s ASP 1058CO 0.18 -0.90 0.28 -0.36 0.70 0.00 0.00 175.17 175.07 3kbu s PHE 1059N -3.97 3.24 0.83 2.11 0.08 -0.51 -4.96 117.98 114.79 3kbu s PHE 1059Ca 0.18 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 3kbu s PHE 1059Cb 0.03 -2.56 0.09 0.00 -0.57 0.00 0.00 43.02 40.01 3kbu s PHE 1059CO 0.01 -0.54 1.14 -1.25 -0.10 0.00 0.00 175.22 174.47 3kbu s PRO 1060N 1.69 1.84 0.11 0.24 0.04 -1.26 -1.08 135.00 136.58 3kbu s PRO 1060Ca 0.05 0.30 -0.21 0.00 0.04 0.00 0.00 61.00 61.17 3kbu s PRO 1060Cb -0.19 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3kbu s PRO 1060CO 0.10 -1.72 1.73 1.25 0.04 0.00 0.00 177.00 178.40 3kbu h LEU 1061N -1.15 -0.05 -8.59 -3.56 5.85 -1.09 -3.41 115.31 103.31 3kbu h LEU 1061Ca -0.47 0.02 -0.38 0.00 0.84 0.00 0.00 57.88 57.89 3kbu h LEU 1061Cb 1.31 0.05 -0.17 0.00 0.37 0.00 0.00 40.66 42.21 3kbu h LEU 1061CO 0.63 -0.01 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.67 3kbu s TYR 1062N -6.19 1.32 0.06 1.25 2.02 -1.05 -3.95 117.35 110.80 3kbu s TYR 1062Ca -0.13 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 55.99 3kbu s TYR 1062Cb 0.08 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 3kbu s TYR 1062CO 0.67 0.11 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.62 3kbu s PHE 1063N -2.41 0.82 0.01 2.71 0.08 0.12 -2.57 117.98 116.73 3kbu s PHE 1063Ca 0.10 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 3kbu s PHE 1063Cb -0.03 -0.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.98 3kbu s PHE 1063CO 0.02 -0.07 0.39 0.54 -0.10 0.00 0.00 175.22 176.00 3kbu s VAL 1064N -1.99 0.05 -0.18 -0.44 0.11 -0.35 -0.38 120.40 117.23 3kbu s VAL 1064Ca -0.03 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 3kbu s VAL 1064Cb -0.06 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3kbu s VAL 1064CO -0.01 -0.24 0.09 -0.63 -3.33 0.00 0.00 175.10 170.98 3kbu s ILE 1065N -1.85 5.04 0.19 7.04 -1.09 -1.26 -1.27 121.20 128.00 3kbu s ILE 1065Ca -0.09 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3kbu s ILE 1065Cb -0.03 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 3kbu s ILE 1065CO 0.02 0.48 -0.08 0.00 -1.23 0.00 0.00 174.94 174.13 3kbu s MET 1066N 0.18 1.22 -0.20 2.79 0.23 -0.87 0.16 119.30 122.80 3kbu s MET 1066Ca 0.06 -1.56 0.01 0.00 -1.03 0.00 0.00 55.69 53.17 3kbu s MET 1066Cb -0.12 -0.74 0.03 0.00 -1.53 0.00 0.00 34.83 32.47 3kbu s MET 1066CO -0.00 0.04 -0.16 -1.12 -2.03 0.00 0.00 175.02 171.75 3kbu s SER 1067N -3.25 3.59 0.00 -1.18 0.01 0.19 -1.83 113.70 111.23 3kbu s SER 1067Ca 0.22 -0.79 0.10 0.00 1.31 0.00 0.00 55.95 56.80 3kbu s SER 1067Cb 0.03 -1.53 0.08 0.00 0.21 0.00 0.00 66.02 64.81 3kbu s SER 1067CO 0.05 -0.05 0.83 -2.11 0.41 0.00 0.00 173.24 172.37