#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f59 s PHE 913 N 0.00 3.65 0.01 1.61 0.08 -1.26 -4.55 117.98 117.51 3f59 s PHE 913 Ca 0.00 1.67 -0.08 0.00 0.12 0.00 0.00 56.93 58.63 3f59 s PHE 913 Cb 0.00 -3.10 -0.31 0.00 -0.57 0.00 0.00 43.02 39.04 3f59 s PHE 913 CO 0.00 -0.01 0.89 -0.07 -0.10 0.00 0.00 175.22 175.93 3f59 h LEU 914 N 6.84 0.57 -8.30 -0.37 3.38 -1.19 -3.46 115.31 112.78 3f59 h LEU 914 Ca -0.41 -0.72 -0.61 0.00 0.09 0.00 0.00 57.88 56.23 3f59 h LEU 914 Cb 1.22 -0.19 -0.32 0.00 0.09 0.00 0.00 40.66 41.46 3f59 h LEU 914 CO 0.75 1.59 -0.85 -0.69 0.09 0.00 0.00 178.44 179.32 3f59 s VAL 915 N -2.61 1.67 -0.28 1.22 1.01 -0.99 -2.34 120.40 118.09 3f59 s VAL 915 Ca -0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3f59 s VAL 915 Cb 0.06 -1.43 0.14 0.00 0.00 0.00 0.00 36.38 35.15 3f59 s VAL 915 CO 0.88 0.47 0.58 -0.55 0.00 0.00 0.00 175.10 176.49 3f59 s SER 916 N 0.05 -1.00 -0.06 3.32 0.15 -1.25 -1.38 113.70 113.54 3f59 s SER 916 Ca -0.06 1.18 -0.26 0.00 0.70 0.00 0.00 55.95 57.51 3f59 s SER 916 Cb -0.13 2.05 0.06 0.00 -1.71 0.00 0.00 66.02 66.28 3f59 s SER 916 CO 0.03 -0.24 0.59 0.72 1.20 0.00 0.00 173.24 175.54 3f59 s PHE 917 N 2.82 -0.55 0.22 3.44 -0.12 -0.44 -4.99 117.98 118.36 3f59 s PHE 917 Ca 0.04 0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 57.60 3f59 s PHE 917 Cb -0.13 0.32 -0.08 0.00 -0.63 0.00 0.00 43.02 42.49 3f59 s PHE 917 CO -0.19 -0.53 1.07 -1.64 -0.05 0.00 0.00 175.22 173.88 3f59 s MET 918 N -1.09 4.65 0.03 1.99 -1.94 -1.26 0.00 119.30 121.69 3f59 s MET 918 Ca -0.11 1.70 -0.00 0.00 -1.71 0.00 0.00 55.69 55.57 3f59 s MET 918 Cb -0.02 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 3f59 s MET 918 CO 0.08 0.20 -0.03 0.54 -0.01 0.00 0.00 175.02 175.79 3f59 s VAL 919 N -0.70 0.15 0.00 -6.03 0.11 -0.36 -4.94 120.40 108.63 3f59 s VAL 919 Ca 0.46 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 3f59 s VAL 919 Cb -0.30 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3f59 s VAL 919 CO 0.36 -0.68 0.00 -0.90 -3.33 0.00 0.00 175.10 170.55 3f59 n ASP 920 N 1.06 0.39 0.24 3.54 5.68 -1.26 -1.29 116.55 124.90 3f59 n ASP 920 Ca -0.20 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.25 3f59 n ASP 920 Cb 0.57 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.37 3f59 n ASP 920 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f59 h ALA 921 N 1.00 1.00 0.00 2.12 0.00 -1.57 -0.78 119.26 121.03 3f59 h ALA 921 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f59 h ALA 921 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f59 h ALA 921 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3f59 h ARG 922 N 0.00 0.00 0.00 0.00 3.08 -1.92 0.21 114.38 115.75 3f59 h ARG 922 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f59 h ARG 922 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3f59 h ARG 922 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3f59 n GLY 923 N 0.41 -1.60 3.60 0.04 0.00 -0.30 -4.04 105.19 103.31 3f59 n GLY 923 Ca 0.02 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 3f59 n GLY 923 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f59 n GLY 924 N -1.29 0.59 3.57 -0.02 0.00 -0.28 -4.72 105.19 103.05 3f59 n GLY 924 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3f59 n GLY 924 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f59 s SER 925 N -3.33 -0.35 -0.21 1.61 1.04 -1.26 -0.99 113.70 110.21 3f59 s SER 925 Ca 0.22 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 3f59 s SER 925 Cb -0.02 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.78 3f59 s SER 925 CO 0.04 -1.10 0.53 -0.32 0.98 0.00 0.00 173.24 173.38 3f59 s MET 926 N -3.85 0.56 0.12 4.02 1.75 -0.47 -5.01 119.30 116.42 3f59 s MET 926 Ca 0.07 0.88 -0.24 0.00 -1.25 0.00 0.00 55.69 55.16 3f59 s MET 926 Cb -0.02 0.14 -0.07 0.00 2.84 0.00 0.00 34.83 37.72 3f59 s MET 926 CO -0.04 -0.12 0.72 1.03 -0.65 0.00 0.00 175.02 175.96 3f59 s ARG 927 N 1.03 4.47 0.71 4.11 0.52 -1.26 -1.35 118.95 127.17 3f59 s ARG 927 Ca -0.06 1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 56.02 3f59 s ARG 927 Cb -0.06 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.13 3f59 s ARG 927 CO -0.09 0.52 0.92 0.41 0.02 0.00 0.00 175.30 177.07 3f59 n GLY 928 N 1.81 -0.55 0.28 -3.53 0.00 0.28 -4.88 105.19 98.60 3f59 n GLY 928 Ca -0.06 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 45.81 3f59 n GLY 928 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f59 h SER 929 N -0.20 0.00 0.68 1.61 4.64 -1.80 -1.36 113.55 117.11 3f59 h SER 929 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3f59 h SER 929 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3f59 h SER 929 CO 0.47 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 176.93 3f59 n ARG 930 N -3.04 0.30 -3.70 4.77 1.74 -1.26 -4.94 116.66 110.53 3f59 n ARG 930 Ca 0.00 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 3f59 n ARG 930 Cb 0.28 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3f59 n ARG 930 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3f59 n HIS 931 N -1.32 -1.91 -2.35 -1.55 -0.00 -0.52 -4.88 115.22 102.69 3f59 n HIS 931 Ca 0.12 0.76 0.02 0.00 0.46 0.00 0.00 57.72 59.08 3f59 n HIS 931 Cb 0.28 -4.12 0.01 0.00 -0.12 0.00 0.00 29.99 26.04 3f59 n HIS 931 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3f59 n ASN 932 N -2.99 0.65 0.00 0.26 0.23 -1.26 -5.00 115.26 107.14 3f59 n ASN 932 Ca -0.25 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.81 3f59 n ASN 932 Cb 0.66 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3f59 n ASN 932 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f59 n GLY 933 N 0.35 1.99 3.72 4.83 0.00 -1.26 -4.74 105.19 110.08 3f59 n GLY 933 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3f59 n GLY 933 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f59 s LEU 934 N 0.00 4.40 -0.28 0.99 2.96 -1.26 -4.17 118.68 121.33 3f59 s LEU 934 Ca 0.00 1.88 -0.22 0.00 -0.22 0.00 0.00 54.13 55.57 3f59 s LEU 934 Cb 0.00 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.20 3f59 s LEU 934 CO 0.00 -0.31 0.80 -0.60 -1.32 0.00 0.00 176.35 174.92 3f59 s ARG 935 N 0.70 0.70 -0.15 1.98 3.52 -0.59 -0.56 118.95 124.55 3f59 s ARG 935 Ca 0.54 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 3f59 s ARG 935 Cb -0.26 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3f59 s ARG 935 CO 0.30 -0.10 -0.16 0.08 -0.81 0.00 0.00 175.30 174.61 3f59 s VAL 936 N 0.74 2.61 -0.20 7.11 1.01 -0.45 -0.76 120.40 130.45 3f59 s VAL 936 Ca -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3f59 s VAL 936 Cb -0.05 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.26 3f59 s VAL 936 CO -0.07 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 3f59 s VAL 937 N 0.81 2.21 -0.50 2.92 1.01 0.08 -1.37 120.40 125.55 3f59 s VAL 937 Ca -0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 3f59 s VAL 937 Cb -0.15 -2.01 0.13 0.00 0.00 0.00 0.00 36.38 34.34 3f59 s VAL 937 CO -0.00 0.41 0.31 -0.63 0.00 0.00 0.00 175.10 175.19 3f59 s ILE 938 N 1.27 3.53 0.87 2.22 -1.09 -0.16 -1.08 121.20 126.76 3f59 s ILE 938 Ca 0.02 -2.42 -0.11 0.00 -2.23 0.00 0.00 60.65 55.92 3f59 s ILE 938 Cb -0.15 -3.36 0.12 0.00 -1.58 0.00 0.00 42.46 37.49 3f59 s ILE 938 CO -0.10 -0.78 1.10 -2.84 -1.23 0.00 0.00 174.94 171.09 3f59 s PRO 939 N 0.65 1.44 0.26 2.79 0.02 -1.26 -1.12 135.00 137.78 3f59 s PRO 939 Ca 0.12 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 61.90 3f59 s PRO 939 Cb -0.22 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 3f59 s PRO 939 CO -0.04 -2.18 1.18 -2.30 -0.33 0.00 0.00 177.00 173.34 3f59 n PRO 940 N -3.87 1.59 -0.47 5.54 -0.02 -1.26 -2.42 135.00 134.09 3f59 n PRO 940 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3f59 n PRO 940 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3f59 n PRO 940 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f59 n ARG 941 N 1.26 0.00 0.22 -0.52 5.12 0.73 -4.83 116.66 118.63 3f59 n ARG 941 Ca 0.11 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.13 3f59 n ARG 941 Cb 0.31 -2.17 0.39 0.00 -1.16 0.00 0.00 32.46 29.83 3f59 n ARG 941 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3f59 h THR 942 N 0.00 0.42 -3.53 0.55 1.35 -1.75 -3.42 112.91 106.54 3f59 h THR 942 Ca 0.00 -1.16 -0.63 0.00 -0.55 0.00 0.00 66.41 64.07 3f59 h THR 942 Cb 0.00 1.86 -0.40 0.00 -1.73 0.00 0.00 68.15 67.88 3f59 h THR 942 CO 0.00 0.19 -0.75 0.00 -0.25 0.00 0.00 175.52 174.71 3f59 h ALA 944 N 7.83 -0.96 -2.14 0.00 0.00 -1.90 -2.33 119.26 119.76 3f59 h ALA 944 Ca -0.10 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.10 3f59 h ALA 944 Cb 1.03 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3f59 h ALA 944 CO 0.48 -0.96 -0.47 0.00 0.00 0.00 0.00 179.25 178.30 3f59 s ALA 945 N -5.42 3.77 0.16 0.00 0.00 -1.26 -4.13 121.76 114.89 3f59 s ALA 945 Ca -0.16 -1.38 -0.33 0.00 0.00 0.00 0.00 51.96 50.08 3f59 s ALA 945 Cb 0.02 -1.46 -0.13 0.00 0.00 0.00 0.00 23.12 21.55 3f59 s ALA 945 CO 0.52 0.21 1.62 -2.30 0.00 0.00 0.00 175.76 175.81 3f59 n PRO 946 N -1.31 2.29 -3.84 0.00 -0.02 -1.26 -4.70 135.00 126.17 3f59 n PRO 946 Ca -0.07 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3f59 n PRO 946 Cb 0.58 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 3f59 n PRO 946 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3f59 s THR 947 N 1.07 -0.00 -0.36 3.45 2.01 -0.41 -4.99 115.64 116.40 3f59 s THR 947 Ca 0.78 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 3f59 s THR 947 Cb -0.64 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 71.77 3f59 s THR 947 CO 0.37 0.01 0.72 -0.60 -0.69 0.00 0.00 174.62 174.43 3f59 s ARG 948 N 0.11 3.70 -0.11 4.92 3.52 -1.26 -1.22 118.95 128.61 3f59 s ARG 948 Ca -0.01 0.18 -0.20 0.00 -0.13 0.00 0.00 55.73 55.57 3f59 s ARG 948 Cb -0.01 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3f59 s ARG 948 CO -0.00 -0.82 0.55 0.42 -0.81 0.00 0.00 175.30 174.64 3f59 s ILE 949 N 2.94 5.14 0.21 4.11 -1.09 0.10 -4.02 121.20 128.59 3f59 s ILE 949 Ca 0.28 1.11 0.05 0.00 -2.23 0.00 0.00 60.65 59.86 3f59 s ILE 949 Cb -0.14 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3f59 s ILE 949 CO 0.16 0.29 -0.05 0.42 -1.23 0.00 0.00 174.94 174.53 3f59 s THR 950 N 0.73 1.23 -0.15 2.92 -4.23 -0.33 -1.33 115.64 114.48 3f59 s THR 950 Ca 0.30 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3f59 s THR 950 Cb -0.16 -2.19 0.05 0.00 1.34 0.00 0.00 72.50 71.55 3f59 s THR 950 CO 0.13 -0.47 0.36 0.00 -0.54 0.00 0.00 174.62 174.10 3f59 s ARG 952 N 1.27 0.58 -0.11 0.00 1.70 -0.81 -0.52 118.95 121.06 3f59 s ARG 952 Ca -0.09 -0.75 -0.05 0.00 -0.47 0.00 0.00 55.73 54.37 3f59 s ARG 952 Cb -0.09 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.85 3f59 s ARG 952 CO -0.11 0.08 0.09 -0.51 -1.08 0.00 0.00 175.30 173.78 3f59 s LEU 953 N -1.49 4.09 0.07 -1.89 1.43 -1.26 -0.69 118.68 118.94 3f59 s LEU 953 Ca -0.07 0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 3f59 s LEU 953 Cb -0.09 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3f59 s LEU 953 CO 0.01 0.38 -0.24 -0.69 0.23 0.00 0.00 176.35 176.04 3f59 s VAL 954 N -0.86 2.36 -0.10 -1.59 1.01 0.17 -4.96 120.40 116.44 3f59 s VAL 954 Ca 0.14 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 3f59 s VAL 954 Cb -0.12 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3f59 s VAL 954 CO 0.03 0.28 0.87 -0.75 0.00 0.00 0.00 175.10 175.53 3f59 s LYS 955 N -1.52 4.41 0.56 2.72 2.20 -1.26 -2.05 119.74 124.79 3f59 s LYS 955 Ca 0.13 1.15 0.44 0.00 -0.36 0.00 0.00 55.97 57.32 3f59 s LYS 955 Cb -0.10 -3.52 1.60 0.00 -1.51 0.00 0.00 37.83 34.30 3f59 s LYS 955 CO 0.04 -0.18 1.62 -1.35 -0.36 0.00 0.00 175.35 175.12 3f59 h PRO 956 N 7.05 0.00 0.00 4.03 0.11 -1.96 0.36 132.00 141.60 3f59 h PRO 956 Ca -0.35 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3f59 h PRO 956 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3f59 h PRO 956 CO 0.80 0.00 -0.15 1.96 -0.21 0.00 0.00 178.00 180.41 3f59 h GLN 957 N 0.00 0.00 0.00 1.05 4.20 -2.03 -2.72 115.11 115.62 3f59 h GLN 957 Ca 0.77 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.48 3f59 h GLN 957 Cb 3.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.98 3f59 h GLN 957 CO -0.01 0.15 0.00 1.17 -0.67 0.00 0.00 178.83 179.47 3f59 n LYS 958 N -3.18 0.15 -3.26 1.46 4.81 0.13 -4.77 118.16 113.49 3f59 n LYS 958 Ca 0.02 0.50 -0.35 0.00 -0.87 0.00 0.00 58.31 57.61 3f59 n LYS 958 Cb 0.50 -1.86 -0.06 0.00 0.02 0.00 0.00 35.03 33.63 3f59 n LYS 958 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3f59 s LEU 959 N -4.32 4.32 0.09 3.14 1.02 -1.03 -5.01 118.68 116.89 3f59 s LEU 959 Ca 0.02 1.19 -0.12 0.00 0.02 0.00 0.00 54.13 55.23 3f59 s LEU 959 Cb 0.08 -3.44 -0.20 0.00 0.02 0.00 0.00 46.19 42.65 3f59 s LEU 959 CO 0.29 0.05 1.22 0.77 0.02 0.00 0.00 176.35 178.70 3f59 h SER 960 N 3.39 0.86 -3.93 2.29 4.64 -1.87 -3.40 113.55 115.54 3f59 h SER 960 Ca -0.48 -0.68 -0.63 0.00 -0.47 0.00 0.00 61.79 59.54 3f59 h SER 960 Cb 1.19 -0.26 -0.40 0.00 -0.31 0.00 0.00 62.40 62.61 3f59 h SER 960 CO 0.66 1.48 -0.69 -0.89 -0.87 0.00 0.00 176.83 176.52 3f59 s THR 961 N -3.36 1.98 0.92 2.95 2.01 -1.26 -5.12 115.64 113.76 3f59 s THR 961 Ca -0.09 -2.90 -0.12 0.00 0.31 0.00 0.00 61.69 58.89 3f59 s THR 961 Cb 0.07 -2.38 0.14 0.00 0.01 0.00 0.00 72.50 70.34 3f59 s THR 961 CO 0.91 -0.84 1.09 -2.84 -0.69 0.00 0.00 174.62 172.26 3f59 s PRO 962 N 0.08 1.06 0.00 4.92 0.02 -1.26 -4.86 135.00 134.96 3f59 s PRO 962 Ca 0.17 0.76 -0.30 0.00 0.02 0.00 0.00 61.00 61.65 3f59 s PRO 962 Cb -0.25 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 3f59 s PRO 962 CO -0.00 -2.36 1.96 -2.14 -0.33 0.00 0.00 177.00 174.12 3f59 s PRO 963 N -4.93 4.05 -0.11 5.54 0.02 -1.26 -4.93 135.00 133.38 3f59 s PRO 963 Ca 0.64 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.88 3f59 s PRO 963 Cb -0.18 -4.16 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 3f59 s PRO 963 CO 0.57 -1.05 1.29 -1.25 -0.33 0.00 0.00 177.00 176.23 3f59 s PRO 964 N 4.59 4.27 -0.03 5.54 0.04 -1.26 -5.01 135.00 143.13 3f59 s PRO 964 Ca 0.88 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.66 3f59 s PRO 964 Cb -0.41 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 3f59 s PRO 964 CO 0.40 -0.62 -0.03 -0.51 0.04 0.00 0.00 177.00 176.28 3f59 s LEU 965 N 3.03 3.40 0.80 -3.56 1.02 -1.26 -5.12 118.68 116.98 3f59 s LEU 965 Ca 0.57 -0.00 -0.12 0.00 0.02 0.00 0.00 54.13 54.60 3f59 s LEU 965 Cb -0.24 -1.87 0.07 0.00 0.02 0.00 0.00 46.19 44.16 3f59 s LEU 965 CO 0.19 0.32 1.14 0.00 0.02 0.00 0.00 176.35 178.02 3f59 s ALA 966 N -0.97 2.49 0.27 4.21 0.00 -1.26 -4.92 121.76 121.58 3f59 s ALA 966 Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 3f59 s ALA 966 Cb -0.11 -3.01 0.60 0.00 0.00 0.00 0.00 23.12 20.59 3f59 s ALA 966 CO 0.06 -1.66 1.70 0.93 0.00 0.00 0.00 175.76 176.79 3f59 h GLU 967 N -1.04 0.35 -0.01 0.00 3.07 -2.02 0.05 114.58 114.98 3f59 h GLU 967 Ca -0.47 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3f59 h GLU 967 Cb 1.30 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3f59 h GLU 967 CO 0.64 0.23 -0.07 0.39 -1.40 0.00 0.00 179.01 178.80 3f59 n GLU 968 N -5.08 1.24 -3.82 2.33 4.71 -1.26 -4.87 120.64 113.88 3f59 n GLU 968 Ca 0.18 -0.61 -0.36 0.00 -0.01 0.00 0.00 57.16 56.36 3f59 n GLU 968 Cb 0.55 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.44 3f59 n GLU 968 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3f59 s GLU 969 N -2.18 3.51 0.16 3.49 2.02 0.00 -4.47 118.70 121.24 3f59 s GLU 969 Ca 0.35 -0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.26 3f59 s GLU 969 Cb 0.21 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3f59 s GLU 969 CO 0.40 0.74 0.06 0.20 0.02 0.00 0.00 175.26 176.68 3f59 s GLY 970 N -1.23 1.18 -0.04 -1.39 0.00 -0.74 -4.60 107.32 100.51 3f59 s GLY 970 Ca 0.19 -1.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.06 3f59 s GLY 970 CO 0.08 -1.43 0.88 1.08 0.00 0.00 0.00 173.10 173.71 3f59 s LEU 971 N -3.12 4.34 0.00 0.66 1.43 -1.26 0.01 118.68 120.73 3f59 s LEU 971 Ca 0.27 1.48 0.21 0.00 -1.03 0.00 0.00 54.13 55.06 3f59 s LEU 971 Cb 0.07 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.93 3f59 s LEU 971 CO 0.05 -0.23 1.05 0.00 0.23 0.00 0.00 176.35 177.45 3f59 n ALA 972 N 3.99 3.21 -2.91 4.21 0.00 0.23 -4.81 120.51 124.43 3f59 n ALA 972 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 3f59 n ALA 972 Cb 0.51 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 3f59 n ALA 972 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f59 s SER 973 N -2.17 0.24 0.75 0.00 1.04 -1.11 -0.66 113.70 111.78 3f59 s SER 973 Ca 0.19 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 3f59 s SER 973 Cb 0.17 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.90 3f59 s SER 973 CO 0.46 -1.13 1.10 -0.13 0.98 0.00 0.00 173.24 174.52 3f59 s ARG 974 N -3.77 2.51 0.03 4.02 0.52 -1.26 -4.67 118.95 116.34 3f59 s ARG 974 Ca 0.28 0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 55.73 3f59 s ARG 974 Cb 0.01 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 3f59 s ARG 974 CO 0.13 -1.30 1.13 0.42 0.02 0.00 0.00 175.30 175.70 3f59 s ILE 975 N -3.27 4.31 -0.24 1.52 1.09 -0.87 -4.59 121.20 119.15 3f59 s ILE 975 Ca 0.59 1.66 -0.10 0.00 -1.10 0.00 0.00 60.65 61.70 3f59 s ILE 975 Cb -0.13 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 3f59 s ILE 975 CO 0.53 0.12 0.14 -0.51 -0.10 0.00 0.00 174.94 175.12 3f59 s ILE 976 N 1.14 5.12 -0.35 2.92 2.07 0.60 0.46 121.20 133.15 3f59 s ILE 976 Ca 0.56 0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.86 3f59 s ILE 976 Cb -0.26 -3.39 0.07 0.00 0.13 0.00 0.00 42.46 39.00 3f59 s ILE 976 CO 0.28 0.34 0.11 0.00 -1.91 0.00 0.00 174.94 173.76 3f59 s ALA 977 N 1.22 3.02 -0.06 1.50 0.00 0.13 -1.12 121.76 126.45 3f59 s ALA 977 Ca 0.07 -2.02 -0.14 0.00 0.00 0.00 0.00 51.96 49.87 3f59 s ALA 977 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3f59 s ALA 977 CO 0.05 -1.48 0.35 -0.51 0.00 0.00 0.00 175.76 174.18 3f59 s LEU 978 N 1.28 4.40 0.10 0.00 1.43 -1.26 -1.93 118.68 122.71 3f59 s LEU 978 Ca 0.00 0.79 0.10 0.00 -1.03 0.00 0.00 54.13 54.00 3f59 s LEU 978 Cb -0.21 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3f59 s LEU 978 CO -0.01 0.26 -0.26 -0.83 0.23 0.00 0.00 176.35 175.75 3f59 s GLY 979 N -0.62 1.54 0.18 -3.19 0.00 -0.13 -3.41 107.32 101.68 3f59 s GLY 979 Ca 0.21 -1.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 3f59 s GLY 979 CO 0.10 -1.35 1.15 -4.14 0.00 0.00 0.00 173.10 168.85 3f59 s PRO 980 N -1.83 4.54 0.02 2.90 0.02 -1.26 -1.18 135.00 138.21 3f59 s PRO 980 Ca 0.14 1.79 -0.34 0.00 0.02 0.00 0.00 61.00 62.60 3f59 s PRO 980 Cb -0.10 -3.26 -0.13 0.00 0.02 0.00 0.00 34.50 31.02 3f59 s PRO 980 CO 0.05 -0.01 1.72 2.41 -0.33 0.00 0.00 177.00 180.84 3f59 n THR 981 N 2.49 0.29 -0.48 0.99 -1.04 -1.22 -1.68 114.28 113.63 3f59 n THR 981 Ca 0.04 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3f59 n THR 981 Cb 0.46 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 3f59 n THR 981 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f59 n GLY 982 N 3.87 0.74 3.68 3.41 0.00 0.12 -5.01 105.19 112.01 3f59 n GLY 982 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3f59 n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f59 n ALA 983 N -0.57 1.09 -4.01 4.61 0.00 -0.68 -4.70 120.51 116.25 3f59 n ALA 983 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 3f59 n ALA 983 Cb 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 19.45 17.07 3f59 n ALA 983 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f59 s GLN 984 N -1.87 2.03 0.35 0.00 -1.52 -1.26 -1.33 119.66 116.07 3f59 s GLN 984 Ca 0.56 -1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 52.84 3f59 s GLN 984 Cb -0.58 -2.66 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 3f59 s GLN 984 CO 0.62 -0.52 0.62 -0.06 -0.25 0.00 0.00 175.29 175.70 3f59 s PHE 985 N 1.28 3.49 -0.34 0.91 0.08 0.11 -4.99 117.98 118.51 3f59 s PHE 985 Ca -0.05 0.68 0.22 0.00 0.12 0.00 0.00 56.93 57.90 3f59 s PHE 985 Cb -0.18 -2.15 0.38 0.00 -0.57 0.00 0.00 43.02 40.49 3f59 s PHE 985 CO -0.07 0.05 1.61 -0.07 -0.10 0.00 0.00 175.22 176.64 3f59 h LEU 986 N 1.22 0.00 -8.13 -0.37 3.38 -1.15 -3.46 115.31 106.80 3f59 h LEU 986 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 3f59 h LEU 986 Cb 1.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 3f59 h LEU 986 CO 0.64 0.09 -0.16 -0.44 0.09 0.00 0.00 178.44 178.66 3f59 s SER 987 N -6.22 -0.08 0.47 -0.43 0.01 -1.26 -5.00 113.70 101.20 3f59 s SER 987 Ca 0.06 -0.86 -0.23 0.00 1.31 0.00 0.00 55.95 56.22 3f59 s SER 987 Cb 0.06 0.54 -0.07 0.00 0.21 0.00 0.00 66.02 66.76 3f59 s SER 987 CO 0.67 -1.06 1.27 -2.84 0.41 0.00 0.00 173.24 171.69 3f59 s PRO 988 N -3.99 3.61 0.36 12.44 0.02 -1.26 -4.77 135.00 141.40 3f59 s PRO 988 Ca 0.20 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.33 3f59 s PRO 988 Cb 0.00 -2.45 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 3f59 s PRO 988 CO 0.05 -0.75 0.25 0.14 -0.33 0.00 0.00 177.00 176.36 3f59 s VAL 989 N -1.39 3.08 -0.06 3.83 -7.23 0.60 -4.65 120.40 114.58 3f59 s VAL 989 Ca 0.64 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 3f59 s VAL 989 Cb -0.35 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 3f59 s VAL 989 CO 0.43 -0.13 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.22 3f59 s ILE 990 N -2.40 1.96 -0.09 -0.62 1.01 -0.24 -1.65 121.20 119.16 3f59 s ILE 990 Ca 0.41 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3f59 s ILE 990 Cb -0.03 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.80 3f59 s ILE 990 CO 0.25 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 175.01 3f59 s VAL 991 N -0.10 0.73 -0.16 2.92 1.01 0.37 -0.74 120.40 124.44 3f59 s VAL 991 Ca -0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.76 3f59 s VAL 991 Cb -0.14 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3f59 s VAL 991 CO 0.04 0.32 0.06 -1.61 0.00 0.00 0.00 175.10 173.91 3f59 s GLU 992 N 1.82 3.79 -0.05 2.72 2.02 0.06 0.24 118.70 129.29 3f59 s GLU 992 Ca 0.05 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.72 3f59 s GLU 992 Cb -0.12 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 30.97 3f59 s GLU 992 CO -0.07 0.39 -0.06 -1.50 0.02 0.00 0.00 175.26 174.04 3f59 s ILE 993 N 0.04 0.70 0.40 -1.63 2.07 0.92 -1.54 121.20 122.16 3f59 s ILE 993 Ca 0.06 -0.21 -0.25 0.00 -1.41 0.00 0.00 60.65 58.84 3f59 s ILE 993 Cb -0.12 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.68 3f59 s ILE 993 CO 0.01 0.27 1.13 -2.16 -1.91 0.00 0.00 174.94 172.27 3f59 s PRO 994 N 0.95 4.09 0.24 3.50 0.04 -1.26 -0.55 135.00 142.01 3f59 s PRO 994 Ca -0.10 1.72 0.11 0.00 0.04 0.00 0.00 61.00 62.77 3f59 s PRO 994 Cb -0.14 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 3f59 s PRO 994 CO 0.00 -0.26 -0.20 -3.38 0.04 0.00 0.00 177.00 173.21 3f59 s HIS 995 N -1.49 2.17 0.05 0.56 -3.43 -0.58 -4.77 115.29 107.79 3f59 s HIS 995 Ca 0.57 -0.38 -0.19 0.00 -0.80 0.00 0.00 55.06 54.26 3f59 s HIS 995 Cb -0.28 -0.98 -0.15 0.00 -1.43 0.00 0.00 32.58 29.75 3f59 s HIS 995 CO 0.35 0.59 1.31 0.74 -2.00 0.00 0.00 174.74 175.73 3f59 h PHE 996 N 2.56 0.59 -1.64 0.38 0.04 -1.20 -3.45 116.94 114.22 3f59 h PHE 996 Ca -0.41 -0.21 -0.64 0.00 2.80 0.00 0.00 57.97 59.51 3f59 h PHE 996 Cb 1.24 -0.11 0.12 0.00 2.20 0.00 0.00 35.95 39.40 3f59 h PHE 996 CO 0.76 0.91 -0.41 -1.91 -0.60 0.00 0.00 178.31 177.07 3f59 n GLU 1005N -4.39 0.40 -4.34 1.51 2.13 -1.09 -5.00 120.64 109.86 3f59 n GLU 1005Ca -0.06 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.56 3f59 n GLU 1005Cb 0.46 -1.28 -0.13 0.00 0.27 0.00 0.00 31.44 30.77 3f59 n GLU 1005CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3f59 s LEU 1006N 2.38 3.12 0.08 4.31 1.43 -1.26 -1.45 118.68 127.29 3f59 s LEU 1006Ca 0.62 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.60 3f59 s LEU 1006Cb -0.79 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 3f59 s LEU 1006CO 0.58 0.13 -0.23 0.54 0.23 0.00 0.00 176.35 177.59 3f59 s VAL 1007N 0.62 1.92 -0.24 -1.59 0.11 0.67 -4.95 120.40 116.93 3f59 s VAL 1007Ca -0.03 -1.47 -0.15 0.00 -2.93 0.00 0.00 61.98 57.41 3f59 s VAL 1007Cb -0.15 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 3f59 s VAL 1007CO 0.02 0.14 0.35 -0.69 -3.33 0.00 0.00 175.10 171.59 3f59 s VAL 1008N -0.96 5.21 0.12 2.04 1.01 -1.26 -0.45 120.40 126.11 3f59 s VAL 1008Ca 0.10 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3f59 s VAL 1008Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3f59 s VAL 1008CO 0.04 0.22 0.19 -0.76 0.00 0.00 0.00 175.10 174.78 3f59 s LEU 1009N 1.67 4.09 0.02 3.92 1.43 -0.39 -0.07 118.68 129.36 3f59 s LEU 1009Ca 0.15 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3f59 s LEU 1009Cb -0.15 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 3f59 s LEU 1009CO 0.09 0.10 -0.03 0.00 0.23 0.00 0.00 176.35 176.73 3f59 s ARG 1010N -2.91 0.36 -0.11 1.70 1.70 0.46 -1.56 118.95 118.58 3f59 s ARG 1010Ca 0.33 -0.67 -0.00 0.00 -0.47 0.00 0.00 55.73 54.91 3f59 s ARG 1010Cb -0.11 0.07 0.02 0.00 -0.57 0.00 0.00 34.95 34.37 3f59 s ARG 1010CO 0.26 -0.04 -0.08 0.45 -1.08 0.00 0.00 175.30 174.81 3f59 s SER 1011N -1.58 2.11 0.07 -2.89 0.15 -0.64 -1.15 113.70 109.77 3f59 s SER 1011Ca -0.14 -0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.01 3f59 s SER 1011Cb -0.09 -0.82 -0.11 0.00 -1.71 0.00 0.00 66.02 63.29 3f59 s SER 1011CO -0.01 -0.11 1.54 -0.33 1.20 0.00 0.00 173.24 175.53 3f59 h GLU 1012N 8.07 0.26 0.00 5.44 4.39 -1.86 -2.06 114.58 128.82 3f59 h GLU 1012Ca -0.30 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3f59 h GLU 1012Cb 1.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3f59 h GLU 1012CO 0.41 0.43 0.00 0.27 -1.16 0.00 0.00 179.01 178.96 3f59 n ASN 1013N -4.79 0.95 0.00 1.42 6.94 -1.26 -1.74 115.26 116.77 3f59 n ASN 1013Ca -0.05 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 3f59 n ASN 1013Cb 0.18 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3f59 n ASN 1013CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f59 n GLY 1014N -0.10 0.46 0.13 4.83 0.00 -1.26 -4.97 105.19 104.28 3f59 n GLY 1014Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3f59 n GLY 1014CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f59 n SER 1015N 0.00 1.79 -4.29 1.61 3.41 -1.26 -4.34 113.62 110.53 3f59 n SER 1015Ca 0.00 0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 3f59 n SER 1015Cb 0.00 -0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 63.40 3f59 n SER 1015CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3f59 s VAL 1016N -2.53 1.88 -0.10 -3.33 1.01 -1.26 -4.98 120.40 111.08 3f59 s VAL 1016Ca -0.27 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.48 3f59 s VAL 1016Cb 0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3f59 s VAL 1016CO 0.69 0.32 -0.15 0.26 0.00 0.00 0.00 175.10 176.21 3f59 s TRP 1017N -0.76 2.73 0.16 5.22 0.52 -1.26 -4.15 118.94 121.40 3f59 s TRP 1017Ca 0.09 -0.59 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 3f59 s TRP 1017Cb -0.09 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3f59 s TRP 1017CO 0.01 -0.15 0.12 -1.59 0.02 0.00 0.00 176.95 175.36 3f59 s LYS 1018N 0.08 1.07 0.23 4.98 -2.85 -0.30 -4.96 119.74 117.98 3f59 s LYS 1018Ca -0.07 -1.48 -0.30 0.00 -1.00 0.00 0.00 55.97 53.12 3f59 s LYS 1018Cb -0.15 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 3f59 s LYS 1018CO 0.05 -0.33 1.31 -1.21 0.10 0.00 0.00 175.35 175.26 3f59 s GLU 1019N -4.08 4.38 -0.16 1.78 2.02 -1.26 -0.41 118.70 120.97 3f59 s GLU 1019Ca 0.29 2.09 -0.20 0.00 0.02 0.00 0.00 54.97 57.17 3f59 s GLU 1019Cb 0.07 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 3f59 s GLU 1019CO 0.06 -0.24 0.56 -1.58 0.02 0.00 0.00 175.26 174.08 3f59 s HIS 1020N -0.14 3.43 -0.12 1.61 5.65 0.90 -4.79 115.29 121.83 3f59 s HIS 1020Ca 0.55 0.90 0.02 0.00 0.25 0.00 0.00 55.06 56.78 3f59 s HIS 1020Cb -0.37 -2.69 0.02 0.00 -1.18 0.00 0.00 32.58 28.35 3f59 s HIS 1020CO 0.41 -0.03 -0.16 0.50 -0.65 0.00 0.00 174.74 174.80 3f59 s ARG 1021N 1.37 2.40 -0.07 2.88 3.52 -1.26 -4.57 118.95 123.22 3f59 s ARG 1021Ca 0.27 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3f59 s ARG 1021Cb -0.16 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 3f59 s ARG 1021CO 0.11 -0.09 1.45 0.45 -0.81 0.00 0.00 175.30 176.41 3f59 s SER 1022N 1.04 6.82 0.00 -2.12 0.15 -1.26 -4.89 113.70 113.43 3f59 s SER 1022Ca -0.04 2.02 0.29 0.00 0.70 0.00 0.00 55.95 58.92 3f59 s SER 1022Cb -0.15 -2.54 1.35 0.00 -1.71 0.00 0.00 66.02 62.97 3f59 s SER 1022CO -0.03 -0.80 1.95 0.54 1.20 0.00 0.00 173.24 176.09 3f59 n ARG 1023N 6.37 0.44 -0.09 5.44 1.74 -1.26 -3.76 116.66 125.55 3f59 n ARG 1023Ca 0.15 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 3f59 n ARG 1023Cb 0.44 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 3f59 n ARG 1023CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3f59 n TYR 1024N -1.22 0.28 -1.02 -1.55 4.01 -1.26 -5.12 117.16 111.28 3f59 n TYR 1024Ca 0.13 0.12 0.03 0.00 -0.16 0.00 0.00 57.90 58.02 3f59 n TYR 1024Cb 0.27 -0.60 -0.01 0.00 -0.31 0.00 0.00 39.34 38.69 3f59 n TYR 1024CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f59 n GLY 1025N 1.50 -2.15 0.27 2.72 0.00 -1.25 -4.52 105.19 101.76 3f59 n GLY 1025Ca -0.13 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.57 3f59 n GLY 1025CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f59 h GLU 1026N 0.00 0.00 0.00 1.61 4.39 -1.99 -2.78 114.58 115.81 3f59 h GLU 1026Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3f59 h GLU 1026Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3f59 h GLU 1026CO 0.00 0.09 0.00 -1.13 -1.16 0.00 0.00 179.01 176.82 3f59 n SER 1027N -3.56 0.41 -1.20 1.42 3.41 -1.26 -2.95 113.62 109.89 3f59 n SER 1027Ca -0.02 0.58 -0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3f59 n SER 1027Cb 0.22 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 63.69 3f59 n SER 1027CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3f59 n TYR 1028N -1.92 1.14 -0.07 7.33 4.01 -1.05 -4.79 117.16 121.82 3f59 n TYR 1028Ca 0.04 -1.68 -0.12 0.00 -0.16 0.00 0.00 57.90 55.98 3f59 n TYR 1028Cb 0.26 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 38.75 3f59 n TYR 1028CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3f59 h LEU 1029N 1.09 0.35 -1.25 7.72 5.85 -1.70 -1.39 115.31 125.98 3f59 h LEU 1029Ca 0.22 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3f59 h LEU 1029Cb 1.57 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 3f59 h LEU 1029CO 0.41 0.58 0.53 0.44 -0.34 0.00 0.00 178.44 180.06 3f59 h ASP 1030N 0.10 0.82 0.24 1.25 3.32 -1.87 -0.90 116.42 119.39 3f59 h ASP 1030Ca 0.05 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 3f59 h ASP 1030Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3f59 h ASP 1030CO 0.01 0.55 -0.68 1.56 -1.72 0.00 0.00 179.24 178.96 3f59 h GLN 1031N 0.95 0.40 -0.44 3.56 7.50 -1.84 -2.88 115.11 122.35 3f59 h GLN 1031Ca 0.34 -0.31 -0.09 0.00 0.50 0.00 0.00 58.65 59.09 3f59 h GLN 1031Cb 0.13 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 3f59 h GLN 1031CO -0.11 0.93 -0.08 0.82 -1.50 0.00 0.00 178.83 178.89 3f59 h ILE 1032N 0.28 1.25 0.00 2.54 2.04 -0.56 -2.99 117.51 120.08 3f59 h ILE 1032Ca -0.02 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 3f59 h ILE 1032Cb 1.24 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3f59 h ILE 1032CO 0.12 0.39 -0.27 -0.07 0.00 0.00 0.00 178.15 178.31 3f59 h LEU 1033N 0.71 0.00 -1.95 1.44 3.38 -1.00 -3.44 115.31 114.45 3f59 h LEU 1033Ca 0.13 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.70 3f59 h LEU 1033Cb 0.55 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.38 3f59 h LEU 1033CO 0.03 0.27 -0.84 -3.20 0.09 0.00 0.00 178.44 174.80 3f59 n ASN 1034N -3.40 -2.03 0.00 -0.43 5.15 -1.11 -1.30 115.26 112.14 3f59 n ASN 1034Ca 0.00 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 3f59 n ASN 1034Cb 0.47 -4.19 0.00 0.00 -0.53 0.00 0.00 39.78 35.53 3f59 n ASN 1034CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f59 n GLY 1035N -1.51 2.23 3.67 8.20 0.00 -1.26 -4.64 105.19 111.87 3f59 n GLY 1035Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3f59 n GLY 1035CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f59 n MET 1036N -2.00 1.71 -2.04 1.61 1.56 -0.42 -4.84 117.12 112.70 3f59 n MET 1036Ca 0.00 0.61 -0.41 0.00 -0.27 0.00 0.00 57.70 57.63 3f59 n MET 1036Cb 0.00 -2.24 -0.00 0.00 2.15 0.00 0.00 33.22 33.12 3f59 n MET 1036CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3f59 n ASP 1037N 0.36 6.40 -3.96 6.12 -0.08 -1.26 -4.88 116.55 119.24 3f59 n ASP 1037Ca 0.08 -3.03 -0.16 0.00 -1.51 0.00 0.00 54.79 50.16 3f59 n ASP 1037Cb 0.39 -1.46 -0.14 0.00 2.34 0.00 0.00 41.12 42.24 3f59 n ASP 1037CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3f59 s GLU 1038N 0.33 0.45 -0.33 -0.67 0.41 -1.26 -5.13 118.70 112.50 3f59 s GLU 1038Ca 0.49 -0.20 -0.11 0.00 -0.41 0.00 0.00 54.97 54.74 3f59 s GLU 1038Cb 0.14 -0.44 -0.00 0.00 -1.78 0.00 0.00 34.13 32.05 3f59 s GLU 1038CO -0.05 0.12 0.19 -1.21 -0.49 0.00 0.00 175.26 173.81 3f59 s GLU 1039N -0.12 3.25 -0.18 1.61 0.41 -1.26 -5.07 118.70 117.34 3f59 s GLU 1039Ca 0.02 -0.79 -0.06 0.00 -0.41 0.00 0.00 54.97 53.73 3f59 s GLU 1039Cb -0.02 -3.66 -0.03 0.00 -1.78 0.00 0.00 34.13 28.63 3f59 s GLU 1039CO -0.00 -0.49 0.03 -0.51 -0.49 0.00 0.00 175.26 173.79 3f59 s LEU 1040N 1.62 3.57 0.53 1.80 1.43 -1.26 -5.10 118.68 121.28 3f59 s LEU 1040Ca 0.04 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3f59 s LEU 1040Cb -0.18 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3f59 s LEU 1040CO 0.07 0.15 0.90 -0.83 0.23 0.00 0.00 176.35 176.87 3f59 s GLY 1041N 0.49 1.64 1.29 -3.19 0.00 -1.26 -5.06 107.32 101.23 3f59 s GLY 1041Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.27 3f59 s GLY 1041CO 0.02 -0.05 1.00 -1.35 0.00 0.00 0.00 173.10 172.71 3f59 s SER 1042N -3.99 0.04 0.11 1.64 1.04 -1.26 -4.73 113.70 106.56 3f59 s SER 1042Ca 0.52 1.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 3f59 s SER 1042Cb -0.11 -1.50 -0.07 0.00 0.10 0.00 0.00 66.02 64.44 3f59 s SER 1042CO 0.47 -4.71 1.45 -0.07 0.98 0.00 0.00 173.24 171.36 3f59 h LEU 1043N -2.97 0.77 -1.14 2.42 3.38 -1.98 -1.34 115.31 114.45 3f59 h LEU 1043Ca -0.50 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 3f59 h LEU 1043Cb 1.33 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 3f59 h LEU 1043CO 0.38 1.05 0.47 -0.33 0.09 0.00 0.00 178.44 180.09 3f59 h GLU 1044N 0.50 1.06 -0.39 1.13 5.08 -1.99 0.33 114.58 120.30 3f59 h GLU 1044Ca 0.06 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3f59 h GLU 1044Cb 0.80 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3f59 h GLU 1044CO 0.06 0.74 -0.10 0.93 -1.00 0.00 0.00 179.01 179.65 3f59 h GLU 1045N 1.07 0.67 -0.17 2.33 5.08 -1.86 -1.66 114.58 120.05 3f59 h GLU 1045Ca 0.28 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3f59 h GLU 1045Cb -0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3f59 h GLU 1045CO -0.05 0.76 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.40 3f59 h LEU 1046N 0.62 0.50 -0.57 1.33 4.07 -0.48 -2.58 115.31 118.20 3f59 h LEU 1046Ca 0.11 -0.52 0.09 0.00 0.08 0.00 0.00 57.88 57.64 3f59 h LEU 1046Cb 0.53 -0.14 -0.11 0.00 1.08 0.00 0.00 40.66 42.02 3f59 h LEU 1046CO 0.03 0.92 -0.42 -0.33 -1.08 0.00 0.00 178.44 177.57 3f59 h GLU 1047N 0.09 -0.21 -0.65 1.13 5.08 -0.26 0.20 114.58 119.96 3f59 h GLU 1047Ca 0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3f59 h GLU 1047Cb 0.81 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3f59 h GLU 1047CO 0.06 -0.14 0.32 0.87 -1.00 0.00 0.00 179.01 179.11 3f59 h LYS 1048N -0.22 0.55 0.00 2.33 1.57 -1.26 0.68 116.57 120.23 3f59 h LYS 1048Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3f59 h LYS 1048Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3f59 h LYS 1048CO -0.68 0.37 0.00 1.63 -0.57 0.00 0.00 179.45 180.20 3f59 n LYS 1049N -4.87 0.89 -3.66 3.15 5.02 -0.87 -4.92 118.16 112.90 3f59 n LYS 1049Ca 0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 3f59 n LYS 1049Cb 0.22 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3f59 n LYS 1049CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3f59 n ARG 1050N -1.01 -2.33 -4.58 1.97 1.74 0.23 -4.90 116.66 107.77 3f59 n ARG 1050Ca 0.22 0.54 -0.23 0.00 -0.77 0.00 0.00 57.85 57.61 3f59 n ARG 1050Cb 0.10 -4.61 -0.16 0.00 -1.02 0.00 0.00 32.46 26.78 3f59 n ARG 1050CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f59 s VAL 1051N -3.55 1.06 -0.11 1.55 1.01 -0.13 -1.53 120.40 118.69 3f59 s VAL 1051Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3f59 s VAL 1051Cb -0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3f59 s VAL 1051CO 0.84 0.31 -0.00 0.00 0.00 0.00 0.00 175.10 176.25 3f59 s ARG 1053N -0.45 3.66 -0.30 0.00 3.52 -1.26 -0.06 118.95 124.06 3f59 s ARG 1053Ca 0.08 -0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 55.08 3f59 s ARG 1053Cb -0.12 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3f59 s ARG 1053CO 0.02 -0.24 0.20 0.42 -0.81 0.00 0.00 175.30 174.90 3f59 s ILE 1054N 1.65 5.25 -0.25 4.11 1.01 0.14 -4.98 121.20 128.14 3f59 s ILE 1054Ca 0.06 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 3f59 s ILE 1054Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3f59 s ILE 1054CO 0.06 0.16 0.29 -0.63 0.00 0.00 0.00 174.94 174.82 3f59 s ILE 1055N 1.74 5.25 -0.02 2.92 1.01 -1.26 -0.47 121.20 130.37 3f59 s ILE 1055Ca 0.07 0.42 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 3f59 s ILE 1055Cb -0.16 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.69 3f59 s ILE 1055CO 0.10 0.24 0.18 0.28 0.00 0.00 0.00 174.94 175.75 3f59 s THR 1056N 1.58 0.06 -2.18 2.92 -1.32 -0.66 -4.47 115.64 111.57 3f59 s THR 1056Ca 0.12 -0.51 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 3f59 s THR 1056Cb -0.15 -0.43 0.15 0.00 -1.51 0.00 0.00 72.50 70.56 3f59 s THR 1056CO 0.08 -0.28 1.31 0.35 -2.21 0.00 0.00 174.62 173.87 3f59 n THR 1057N 1.76 0.00 -4.05 5.08 -2.24 -1.26 -0.29 114.28 113.28 3f59 n THR 1057Ca -0.20 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 3f59 n THR 1057Cb 0.56 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 3f59 n THR 1057CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3f59 s ASP 1058N -2.35 0.15 -0.33 3.42 -4.77 -1.26 0.04 116.67 111.57 3f59 s ASP 1058Ca 0.24 -1.03 -0.07 0.00 -3.30 0.00 0.00 52.55 48.39 3f59 s ASP 1058Cb 0.19 0.38 0.03 0.00 -1.09 0.00 0.00 42.92 42.43 3f59 s ASP 1058CO 0.49 -0.83 0.11 -0.36 0.70 0.00 0.00 175.17 175.28 3f59 s PHE 1059N -4.01 3.23 0.73 2.11 0.08 -0.44 -4.98 117.98 114.70 3f59 s PHE 1059Ca 0.21 -1.28 -0.11 0.00 0.12 0.00 0.00 56.93 55.87 3f59 s PHE 1059Cb 0.05 -2.28 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 3f59 s PHE 1059CO 0.01 -0.69 1.10 -1.25 -0.10 0.00 0.00 175.22 174.30 3f59 s PRO 1060N 1.44 2.50 0.21 0.24 0.04 -1.26 0.14 135.00 138.31 3f59 s PRO 1060Ca -0.00 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.17 3f59 s PRO 1060Cb -0.19 -2.03 0.28 0.00 0.04 0.00 0.00 34.50 32.60 3f59 s PRO 1060CO 0.03 -1.22 1.66 1.25 0.04 0.00 0.00 177.00 178.76 3f59 h LEU 1061N -0.75 -0.30 -8.23 -3.56 5.85 -0.90 -3.40 115.31 104.02 3f59 h LEU 1061Ca -0.45 0.15 -0.36 0.00 0.84 0.00 0.00 57.88 58.06 3f59 h LEU 1061Cb 1.28 0.28 -0.23 0.00 0.37 0.00 0.00 40.66 42.36 3f59 h LEU 1061CO 0.64 -0.12 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.55 3f59 s TYR 1062N -6.16 0.91 0.27 1.25 2.02 -0.81 -4.10 117.35 110.73 3f59 s TYR 1062Ca -0.14 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.28 3f59 s TYR 1062Cb 0.19 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 41.16 3f59 s TYR 1062CO 0.74 -0.01 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.52 3f59 s PHE 1063N -1.05 2.45 -0.12 2.71 0.08 -0.28 -1.62 117.98 120.15 3f59 s PHE 1063Ca -0.04 -0.29 -0.26 0.00 0.12 0.00 0.00 56.93 56.46 3f59 s PHE 1063Cb -0.08 -1.07 0.06 0.00 -0.57 0.00 0.00 43.02 41.36 3f59 s PHE 1063CO 0.01 0.68 0.64 0.54 -0.10 0.00 0.00 175.22 176.98 3f59 s VAL 1064N -2.42 0.01 -0.10 -0.44 0.11 -0.60 -0.29 120.40 116.66 3f59 s VAL 1064Ca 0.30 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 3f59 s VAL 1064Cb -0.06 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3f59 s VAL 1064CO 0.17 -0.03 0.39 -0.63 -3.33 0.00 0.00 175.10 171.67 3f59 s ILE 1065N -0.65 5.19 -0.01 7.04 -1.09 -1.26 -1.26 121.20 129.15 3f59 s ILE 1065Ca -0.07 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.19 3f59 s ILE 1065Cb -0.02 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3f59 s ILE 1065CO 0.06 0.43 -0.23 -0.32 -1.23 0.00 0.00 174.94 173.65 3f59 s MET 1066N 0.03 1.86 0.08 2.79 1.75 0.40 0.74 119.30 126.94 3f59 s MET 1066Ca 0.22 -0.84 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3f59 s MET 1066Cb -0.15 -1.81 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 3f59 s MET 1066CO 0.09 0.50 0.15 -1.54 -0.65 0.00 0.00 175.02 173.57 3f59 s SER 1067N -0.60 5.96 0.00 1.11 1.04 0.10 -0.23 113.70 121.08 3f59 s SER 1067Ca 0.09 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3f59 s SER 1067Cb -0.09 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.30 3f59 s SER 1067CO -0.01 0.16 0.00 -2.11 0.98 0.00 0.00 173.24 172.27