#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i36 n LYS 898 N 0.00 0.56 -2.50 -1.46 4.76 -1.26 -4.81 118.16 113.44 3i36 n LYS 898 Ca 0.00 -0.29 -0.43 0.00 -2.87 0.00 0.00 58.31 54.72 3i36 n LYS 898 Cb 0.00 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3i36 n LYS 898 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i36 s LEU 899 N -2.64 4.07 -0.18 -0.35 1.43 -1.26 -4.45 118.68 115.30 3i36 s LEU 899 Ca 0.22 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3i36 s LEU 899 Cb 0.19 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3i36 s LEU 899 CO 0.55 -0.82 -0.09 -0.63 0.23 0.00 0.00 176.35 175.59 3i36 s ILE 900 N 3.63 3.18 0.42 -0.59 -1.09 0.82 -4.93 121.20 122.64 3i36 s ILE 900 Ca 0.51 -0.58 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 3i36 s ILE 900 Cb -0.18 -2.40 -0.08 0.00 -1.58 0.00 0.00 42.46 38.22 3i36 s ILE 900 CO 0.14 0.47 1.25 -0.13 -1.23 0.00 0.00 174.94 175.45 3i36 s ARG 901 N 1.01 3.93 0.37 2.79 0.52 -1.26 0.26 118.95 126.57 3i36 s ARG 901 Ca -0.00 2.03 0.08 0.00 -0.52 0.00 0.00 55.73 57.31 3i36 s ARG 901 Cb -0.15 -2.67 0.81 0.00 0.52 0.00 0.00 34.95 33.46 3i36 s ARG 901 CO -0.01 -0.49 1.93 -0.39 0.02 0.00 0.00 175.30 176.36 3i36 h VAL 902 N 2.31 0.93 0.00 3.52 -1.51 -0.86 0.19 116.25 120.84 3i36 h VAL 902 Ca -0.49 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3i36 h VAL 902 Cb 1.25 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 3i36 h VAL 902 CO 0.62 0.13 0.02 1.05 -1.23 0.00 0.00 177.57 178.15 3i36 h GLU 903 N 0.69 0.00 -0.01 5.19 4.11 -1.90 -1.16 114.58 121.49 3i36 h GLU 903 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 3i36 h GLU 903 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i36 h GLU 903 CO -0.14 0.00 -0.04 0.09 0.07 0.00 0.00 179.01 178.99 3i36 n ASN 904 N -2.91 1.54 -0.20 3.06 3.02 0.57 -4.74 115.26 115.60 3i36 n ASN 904 Ca -0.03 -1.27 -0.09 0.00 -0.03 0.00 0.00 54.58 53.16 3i36 n ASN 904 Cb 0.08 0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3i36 n ASN 904 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3i36 h PHE 905 N 1.46 1.07 -0.77 3.10 3.57 0.00 -1.96 116.94 123.41 3i36 h PHE 905 Ca 0.00 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3i36 h PHE 905 Cb 0.33 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3i36 h PHE 905 CO 0.00 0.97 0.41 1.49 -2.23 0.00 0.00 178.31 178.95 3i36 h GLU 906 N 0.87 1.09 -0.58 1.11 4.81 -1.85 0.25 114.58 120.27 3i36 h GLU 906 Ca 0.16 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3i36 h GLU 906 Cb 0.53 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3i36 h GLU 906 CO 0.03 0.81 -0.03 0.00 -0.73 0.00 0.00 179.01 179.09 3i36 h ALA 907 N 1.21 0.84 -0.47 2.92 0.00 -1.87 -1.21 119.26 120.68 3i36 h ALA 907 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3i36 h ALA 907 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i36 h ALA 907 CO -0.04 0.67 0.27 -0.92 0.00 0.00 0.00 179.25 179.23 3i36 h TYR 908 N 0.94 0.63 -0.31 0.00 3.20 -0.65 -1.00 116.97 119.78 3i36 h TYR 908 Ca 0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3i36 h TYR 908 Cb 0.59 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3i36 h TYR 908 CO 0.04 0.45 0.17 0.35 -1.64 0.00 0.00 178.16 177.53 3i36 h PHE 909 N 0.62 0.44 -0.72 -3.82 3.57 -0.18 0.58 116.94 117.43 3i36 h PHE 909 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3i36 h PHE 909 Cb 0.02 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3i36 h PHE 909 CO -0.03 0.37 0.47 0.87 -2.23 0.00 0.00 178.31 177.77 3i36 h LYS 910 N 0.38 0.93 -0.43 1.11 1.79 -1.07 0.20 116.57 119.49 3i36 h LYS 910 Ca 0.11 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 3i36 h LYS 910 Cb 0.08 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 3i36 h LYS 910 CO -0.02 0.62 0.25 -0.22 -1.08 0.00 0.00 179.45 179.00 3i36 h LYS 911 N 0.96 0.49 0.00 3.15 3.64 -0.64 -2.10 116.57 122.07 3i36 h LYS 911 Ca 0.27 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3i36 h LYS 911 Cb -0.09 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3i36 h LYS 911 CO -0.07 0.33 -0.00 1.96 -2.27 0.00 0.00 179.45 179.40 3i36 h GLN 912 N 0.51 0.00 0.00 1.90 1.08 -0.32 -2.84 115.11 115.43 3i36 h GLN 912 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3i36 h GLN 912 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3i36 h GLN 912 CO -0.08 0.00 -0.42 0.37 -0.95 0.00 0.00 178.83 177.76 3i36 h GLN 913 N 0.00 0.00 -7.11 1.46 4.15 -0.20 -2.44 115.11 110.98 3i36 h GLN 913 Ca -0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 3i36 h GLN 913 Cb 0.80 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.65 3i36 h GLN 913 CO 0.00 0.00 0.48 0.00 -1.93 0.00 0.00 178.83 177.38 3i36 n ALA 914 N -2.09 0.98 -3.60 3.38 0.00 -0.83 -1.05 120.51 117.31 3i36 n ALA 914 Ca 0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3i36 n ALA 914 Cb 0.52 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.71 3i36 n ALA 914 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i36 n ASP 915 N -2.03 -3.58 -3.43 0.00 8.00 -1.26 -1.58 116.55 112.66 3i36 n ASP 915 Ca 0.16 -0.86 -0.18 0.00 0.71 0.00 0.00 54.79 54.62 3i36 n ASP 915 Cb 0.48 -4.10 0.09 0.00 -0.02 0.00 0.00 41.12 37.57 3i36 n ASP 915 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3i36 n SER 916 N -2.97 -3.03 -2.46 -2.24 2.88 -1.22 -2.05 113.62 102.52 3i36 n SER 916 Ca -0.19 -0.59 -0.19 0.00 -1.33 0.00 0.00 58.87 56.57 3i36 n SER 916 Cb 0.64 -5.04 0.02 0.00 -0.75 0.00 0.00 64.21 59.07 3i36 n SER 916 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3i36 n ASN 917 N -3.07 -5.49 -0.09 -3.46 3.02 -0.21 -4.89 115.26 101.08 3i36 n ASN 917 Ca -0.22 -0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.10 3i36 n ASN 917 Cb 0.64 -4.40 0.01 0.00 -0.61 0.00 0.00 39.78 35.41 3i36 n ASN 917 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i36 h GLY 919 N 0.08 0.68 1.02 0.00 0.00 -1.63 0.17 103.07 103.39 3i36 h GLY 919 Ca 0.16 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3i36 h GLY 919 CO -0.27 0.35 0.33 0.74 0.00 0.00 0.00 176.54 177.69 3i36 h PHE 920 N 0.54 1.06 -0.95 5.60 0.05 -1.03 -1.08 116.94 121.14 3i36 h PHE 920 Ca 0.14 -0.06 0.01 0.00 3.82 0.00 0.00 57.97 61.88 3i36 h PHE 920 Cb 0.19 -0.33 -0.05 0.00 2.00 0.00 0.00 35.95 37.77 3i36 h PHE 920 CO 0.00 0.79 0.63 0.00 -0.18 0.00 0.00 178.31 179.55 3i36 h ALA 921 N 1.16 1.33 -0.37 2.45 0.00 0.43 0.17 119.26 124.44 3i36 h ALA 921 Ca 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3i36 h ALA 921 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i36 h ALA 921 CO -0.03 0.62 0.00 1.49 0.00 0.00 0.00 179.25 181.33 3i36 h GLU 922 N 1.28 0.64 -0.44 0.00 4.81 -0.24 0.12 114.58 120.76 3i36 h GLU 922 Ca 0.35 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3i36 h GLU 922 Cb -0.13 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3i36 h GLU 922 CO -0.08 0.75 0.24 0.93 -0.73 0.00 0.00 179.01 180.12 3i36 h GLU 923 N 0.46 0.61 -0.38 1.92 5.08 -0.79 -0.67 114.58 120.82 3i36 h GLU 923 Ca 0.10 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3i36 h GLU 923 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i36 h GLU 923 CO 0.02 0.49 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.38 3i36 h TYR 924 N 0.57 0.85 -0.40 4.33 3.20 -0.81 -2.06 116.97 122.65 3i36 h TYR 924 Ca 0.15 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 3i36 h TYR 924 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3i36 h TYR 924 CO -0.02 0.91 -0.03 1.49 -1.64 0.00 0.00 178.16 178.87 3i36 h GLU 925 N 0.66 0.66 0.00 1.82 4.57 -0.50 -1.81 114.58 119.98 3i36 h GLU 925 Ca 0.09 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3i36 h GLU 925 Cb 0.73 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 3i36 h GLU 925 CO 0.06 0.69 -0.12 -0.44 -1.18 0.00 0.00 179.01 178.03 3i36 h ASP 926 N 0.62 0.00 1.25 1.04 3.32 -0.45 -1.22 116.42 120.98 3i36 h ASP 926 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i36 h ASP 926 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3i36 h ASP 926 CO 0.02 0.12 -0.11 0.18 -1.72 0.00 0.00 179.24 177.72 3i36 n LEU 927 N -3.78 0.62 -0.24 1.55 4.77 -0.70 -4.49 117.00 114.73 3i36 n LEU 927 Ca -0.02 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3i36 n LEU 927 Cb 0.22 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 3i36 n LEU 927 CO 0.31 -0.11 0.95 0.50 -1.33 0.00 0.00 177.39 177.70 3i36 h LYS 928 N 0.00 0.30 -0.11 3.23 3.64 -1.01 -0.73 116.57 121.89 3i36 h LYS 928 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3i36 h LYS 928 Cb 0.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3i36 h LYS 928 CO 0.00 0.20 0.00 1.28 -2.27 0.00 0.00 179.45 178.66 3i36 n LEU 929 N -5.12 2.54 -4.70 5.20 4.77 -1.26 -4.89 117.00 113.54 3i36 n LEU 929 Ca 0.13 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 3i36 n LEU 929 Cb 0.43 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3i36 n LEU 929 CO 0.15 0.46 1.28 -0.63 -1.33 0.00 0.00 177.39 177.32 3i36 s ILE 930 N -1.88 2.99 0.00 -0.08 -1.09 -0.28 -2.52 121.20 118.34 3i36 s ILE 930 Ca 0.33 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 3i36 s ILE 930 Cb 0.20 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3i36 s ILE 930 CO 0.31 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 3i36 n GLY 931 N 3.89 2.73 0.19 6.18 0.00 -1.26 -4.60 105.19 112.31 3i36 n GLY 931 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3i36 n GLY 931 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i36 h ILE 932 N 0.00 0.00 -0.21 -0.61 3.07 -1.78 -0.39 117.51 117.60 3i36 h ILE 932 Ca 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 3i36 h ILE 932 Cb 0.00 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 3i36 h ILE 932 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 3i36 n SER 933 N -2.56 1.93 -4.72 2.16 3.41 -1.26 -4.88 113.62 107.69 3i36 n SER 933 Ca 0.02 -1.77 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 3i36 n SER 933 Cb 0.26 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3i36 n SER 933 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i36 s LEU 934 N -1.52 4.39 0.44 1.04 1.43 -0.16 -4.95 118.68 119.34 3i36 s LEU 934 Ca 0.33 2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 55.40 3i36 s LEU 934 Cb 0.18 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 3i36 s LEU 934 CO 0.26 -0.52 1.21 -2.65 0.23 0.00 0.00 176.35 174.88 3i36 n PRO 935 N 3.46 1.75 -2.59 1.29 -0.02 -1.26 -4.84 135.00 132.78 3i36 n PRO 935 Ca 0.08 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 3i36 n PRO 935 Cb 0.44 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3i36 n PRO 935 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i36 n LYS 936 N -0.06 1.98 -0.12 -0.52 5.02 -1.26 -0.89 118.16 122.30 3i36 n LYS 936 Ca 0.08 -3.69 -0.10 0.00 -2.02 0.00 0.00 58.31 52.58 3i36 n LYS 936 Cb 0.40 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3i36 n LYS 936 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3i36 h TYR 937 N 2.81 0.61 -0.61 2.13 0.05 -1.92 -2.74 116.97 117.29 3i36 h TYR 937 Ca 0.04 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3i36 h TYR 937 Cb 1.12 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 3i36 h TYR 937 CO 0.61 0.60 0.39 0.00 -1.05 0.00 0.00 178.16 178.71 3i36 h ALA 938 N 0.94 0.78 0.00 3.88 0.00 -1.92 -0.88 119.26 122.06 3i36 h ALA 938 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i36 h ALA 938 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i36 h ALA 938 CO 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.48 3i36 h ALA 939 N 1.21 1.36 -0.01 0.00 0.00 -1.78 -2.24 119.26 117.80 3i36 h ALA 939 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i36 h ALA 939 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i36 h ALA 939 CO -0.05 0.01 -0.61 0.39 0.00 0.00 0.00 179.25 178.99 3i36 n GLU 940 N -3.61 0.76 -1.77 0.00 1.02 -0.40 -4.08 120.64 112.57 3i36 n GLU 940 Ca -0.03 -0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 56.09 3i36 n GLU 940 Cb 0.09 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3i36 n GLU 940 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i36 s ILE 941 N -2.66 2.01 0.22 -3.67 1.01 -0.83 -4.79 121.20 112.49 3i36 s ILE 941 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 3i36 s ILE 941 Cb 0.18 -3.00 0.23 0.00 0.01 0.00 0.00 42.46 39.87 3i36 s ILE 941 CO 0.66 0.00 1.65 0.00 0.00 0.00 0.00 174.94 177.25 3i36 h ALA 942 N 4.01 0.64 0.00 9.38 0.00 -1.91 0.27 119.26 131.65 3i36 h ALA 942 Ca -0.49 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3i36 h ALA 942 Cb 1.23 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i36 h ALA 942 CO 0.73 -0.41 -0.05 0.93 0.00 0.00 0.00 179.25 180.45 3i36 h GLU 943 N 0.10 0.00 0.00 0.00 3.07 -1.94 -2.60 114.58 113.21 3i36 h GLU 943 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3i36 h GLU 943 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3i36 h GLU 943 CO -0.59 0.05 -1.10 0.09 -1.40 0.00 0.00 179.01 176.07 3i36 n ASN 944 N -3.94 0.61 -0.20 1.42 3.02 0.87 -4.37 115.26 112.66 3i36 n ASN 944 Ca -0.03 -0.30 0.02 0.00 -0.03 0.00 0.00 54.58 54.24 3i36 n ASN 944 Cb 0.14 0.91 0.27 0.00 -0.61 0.00 0.00 39.78 40.50 3i36 n ASN 944 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3i36 h ARG 945 N 0.00 0.93 0.00 3.52 3.08 -0.90 0.16 114.38 121.17 3i36 h ARG 945 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3i36 h ARG 945 Cb 0.72 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3i36 h ARG 945 CO 0.00 0.61 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 3i36 n GLY 946 N -1.43 -1.05 0.66 0.04 0.00 -1.26 -2.05 105.19 100.10 3i36 n GLY 946 Ca 0.08 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i36 n GLY 946 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i36 n LYS 947 N -1.17 1.87 -3.76 1.61 5.02 0.56 -4.83 118.16 117.46 3i36 n LYS 947 Ca 0.16 -1.32 -0.35 0.00 -2.02 0.00 0.00 58.31 54.77 3i36 n LYS 947 Cb 0.17 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 3i36 n LYS 947 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3i36 s ASN 948 N -2.04 6.04 0.09 4.39 0.01 -0.87 -4.47 114.94 118.08 3i36 s ASN 948 Ca 0.33 0.15 -0.19 0.00 -0.71 0.00 0.00 52.86 52.44 3i36 s ASN 948 Cb 0.20 -2.07 -0.08 0.00 0.41 0.00 0.00 41.25 39.71 3i36 s ASN 948 CO 0.34 0.13 1.54 -0.09 -1.51 0.00 0.00 177.10 177.51 3i36 h ARG 949 N 7.03 0.42 -5.40 -0.60 2.43 -1.87 -3.42 114.38 112.97 3i36 h ARG 949 Ca -0.39 -0.12 -0.67 0.00 -0.81 0.00 0.00 59.98 57.99 3i36 h ARG 949 Cb 1.16 -0.04 -0.33 0.00 -0.42 0.00 0.00 29.97 30.34 3i36 h ARG 949 CO 0.71 0.57 -0.87 0.71 -1.51 0.00 0.00 179.97 179.57 3i36 s TYR 950 N -5.08 2.43 0.33 2.20 2.02 -1.26 -5.01 117.35 112.97 3i36 s TYR 950 Ca -0.14 -0.94 0.38 0.00 -0.37 0.00 0.00 57.07 56.01 3i36 s TYR 950 Cb 0.07 -1.62 1.85 0.00 -0.40 0.00 0.00 41.96 41.86 3i36 s TYR 950 CO 0.74 -0.37 2.14 -0.97 -1.57 0.00 0.00 175.55 175.53 3i36 h ASN 951 N 6.60 0.00 -0.49 2.29 -1.24 -1.93 -1.54 115.58 119.28 3i36 h ASN 951 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.78 3i36 h ASN 951 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 3i36 h ASN 951 CO 0.47 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 176.15 3i36 n ASN 952 N -3.00 3.91 -3.90 1.15 6.94 -1.26 -4.65 115.26 114.46 3i36 n ASN 952 Ca -0.01 -2.36 -0.30 0.00 -0.02 0.00 0.00 54.58 51.89 3i36 n ASN 952 Cb 0.18 -0.45 -0.14 0.00 -2.36 0.00 0.00 39.78 37.01 3i36 n ASN 952 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i36 s VAL 953 N -1.66 2.36 -0.04 3.53 1.01 -0.58 -5.01 120.40 120.01 3i36 s VAL 953 Ca 0.40 -3.23 0.07 0.00 0.00 0.00 0.00 61.98 59.22 3i36 s VAL 953 Cb 0.25 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3i36 s VAL 953 CO 0.20 -0.83 -0.25 -0.76 0.00 0.00 0.00 175.10 173.45 3i36 s LEU 954 N -0.24 2.08 0.24 3.92 1.43 -1.26 -4.66 118.68 120.19 3i36 s LEU 954 Ca 0.18 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3i36 s LEU 954 Cb -0.24 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 3i36 s LEU 954 CO -0.01 0.28 1.33 -2.16 0.23 0.00 0.00 176.35 176.02 3i36 s PRO 955 N -0.35 4.36 0.32 1.29 0.04 -1.26 -4.43 135.00 134.98 3i36 s PRO 955 Ca 0.02 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 3i36 s PRO 955 Cb -0.12 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3i36 s PRO 955 CO 0.02 -0.26 1.23 0.71 0.04 0.00 0.00 177.00 178.73 3i36 s TYR 956 N -0.20 3.22 0.36 0.56 2.02 -1.26 -4.58 117.35 117.47 3i36 s TYR 956 Ca 0.55 1.52 0.07 0.00 -0.37 0.00 0.00 57.07 58.84 3i36 s TYR 956 Cb -0.38 -3.52 0.77 0.00 -0.40 0.00 0.00 41.96 38.42 3i36 s TYR 956 CO 0.42 -1.38 1.94 -0.44 -1.57 0.00 0.00 175.55 174.52 3i36 h ASP 957 N 3.43 0.65 0.41 2.29 3.32 -1.34 -0.83 116.42 124.35 3i36 h ASP 957 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3i36 h ASP 957 Cb 1.22 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3i36 h ASP 957 CO 0.66 0.40 -0.02 -0.29 -1.72 0.00 0.00 179.24 178.27 3i36 h ILE 958 N 0.73 0.11 0.00 0.35 2.10 -1.91 -3.07 117.51 115.81 3i36 h ILE 958 Ca 0.34 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 66.02 3i36 h ILE 958 Cb 0.36 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 3i36 h ILE 958 CO -0.12 0.02 0.00 -1.54 -1.08 0.00 0.00 178.15 175.43 3i36 n SER 959 N -3.20 0.56 -4.77 2.19 3.41 -0.95 -5.07 113.62 105.80 3i36 n SER 959 Ca -0.02 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.13 3i36 n SER 959 Cb 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3i36 n SER 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i36 s ARG 960 N -0.11 3.54 -0.16 4.33 1.70 -0.36 -0.79 118.95 127.11 3i36 s ARG 960 Ca 0.00 1.69 -0.29 0.00 -0.47 0.00 0.00 55.73 56.65 3i36 s ARG 960 Cb 0.00 -2.19 -0.00 0.00 -0.57 0.00 0.00 34.95 32.19 3i36 s ARG 960 CO 0.00 -0.71 1.06 0.08 -1.08 0.00 0.00 175.30 174.65 3i36 s VAL 961 N -1.67 4.65 -0.22 4.99 1.01 -0.21 -4.75 120.40 124.20 3i36 s VAL 961 Ca 0.69 1.96 -0.07 0.00 0.00 0.00 0.00 61.98 64.55 3i36 s VAL 961 Cb -0.26 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3i36 s VAL 961 CO 0.30 -0.08 0.06 -0.54 0.00 0.00 0.00 175.10 174.84 3i36 s LYS 962 N 2.64 3.77 0.64 2.72 1.02 -1.26 -4.10 119.74 125.17 3i36 s LYS 962 Ca 0.48 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 3i36 s LYS 962 Cb -0.18 -3.27 0.07 0.00 -0.52 0.00 0.00 37.83 33.94 3i36 s LYS 962 CO 0.13 -0.01 0.90 -0.51 -0.92 0.00 0.00 175.35 174.94 3i36 s LEU 963 N 1.14 3.08 0.82 3.17 1.43 0.13 -5.02 118.68 123.43 3i36 s LEU 963 Ca 0.04 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 3i36 s LEU 963 Cb -0.14 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.60 3i36 s LEU 963 CO 0.03 -1.51 1.17 -0.94 0.23 0.00 0.00 176.35 175.34 3i36 s SER 964 N -4.56 3.61 -0.08 2.29 1.04 -1.26 -4.25 113.70 110.49 3i36 s SER 964 Ca 0.61 2.24 0.02 0.00 0.48 0.00 0.00 55.95 59.31 3i36 s SER 964 Cb -0.08 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 3i36 s SER 964 CO 0.42 -2.65 -0.13 0.68 0.98 0.00 0.00 173.24 172.54 3i36 s VAL 965 N -2.36 3.12 0.00 5.02 -7.23 -1.26 -3.84 120.40 113.85 3i36 s VAL 965 Ca 0.70 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 3i36 s VAL 965 Cb -0.25 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3i36 s VAL 965 CO 0.52 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.88 3i36 n GLN 966 N 2.67 0.00 -0.01 4.82 3.00 -1.26 -4.90 117.38 121.70 3i36 n GLN 966 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.88 3i36 n GLN 966 Cb 0.52 -0.09 -0.10 0.00 0.00 0.00 0.00 30.24 30.57 3i36 n GLN 966 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3i36 n THR 967 N -1.68 0.00 -3.84 5.09 -2.24 -1.26 -5.01 114.28 105.34 3i36 n THR 967 Ca 0.00 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3i36 n THR 967 Cb 0.00 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 3i36 n THR 967 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3i36 s HIS 968 N -2.88 -0.09 0.42 4.78 5.65 -1.26 -5.03 115.29 116.89 3i36 s HIS 968 Ca -0.04 0.20 0.13 0.00 0.25 0.00 0.00 55.06 55.60 3i36 s HIS 968 Cb 0.09 0.02 1.00 0.00 -1.18 0.00 0.00 32.58 32.50 3i36 s HIS 968 CO 0.55 -0.18 1.96 0.66 -0.65 0.00 0.00 174.74 177.08 3i36 h SER 969 N 5.17 0.42 0.48 9.88 4.64 -1.98 0.10 113.55 132.26 3i36 h SER 969 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3i36 h SER 969 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3i36 h SER 969 CO 0.40 0.24 0.00 0.35 -0.87 0.00 0.00 176.83 176.95 3i36 n THR 970 N -4.48 0.68 0.31 2.95 -2.24 -1.26 -1.51 114.28 108.73 3i36 n THR 970 Ca 0.11 0.17 0.21 0.00 -2.27 0.00 0.00 64.05 62.28 3i36 n THR 970 Cb 0.40 -0.88 1.12 0.00 -2.10 0.00 0.00 70.33 68.88 3i36 n THR 970 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i36 h ASP 971 N 0.00 0.00 0.38 3.42 3.32 -1.09 -1.94 116.42 120.51 3i36 h ASP 971 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i36 h ASP 971 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3i36 h ASP 971 CO 0.00 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.62 3i36 n ASP 972 N -2.97 0.00 -4.74 6.45 5.68 -0.57 -4.63 116.55 115.77 3i36 n ASP 972 Ca -0.03 -0.35 -0.38 0.00 -0.50 0.00 0.00 54.79 53.54 3i36 n ASP 972 Cb 0.07 -0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 39.79 3i36 n ASP 972 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3i36 s TYR 973 N -2.41 3.54 -0.05 2.11 5.04 -0.73 0.18 117.35 125.03 3i36 s TYR 973 Ca 0.32 0.84 -0.11 0.00 -2.44 0.00 0.00 57.07 55.68 3i36 s TYR 973 Cb 0.19 -2.46 0.02 0.00 0.35 0.00 0.00 41.96 40.06 3i36 s TYR 973 CO 0.41 0.26 0.27 -1.50 -1.34 0.00 0.00 175.55 173.65 3i36 s ILE 974 N 0.30 0.04 -1.05 3.14 2.07 -1.26 -4.92 121.20 119.52 3i36 s ILE 974 Ca 0.24 -0.32 -0.23 0.00 -1.41 0.00 0.00 60.65 58.93 3i36 s ILE 974 Cb -0.15 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 41.98 3i36 s ILE 974 CO 0.09 -0.18 1.59 0.21 -1.91 0.00 0.00 174.94 174.75 3i36 s ASN 975 N -0.72 6.26 -0.15 4.50 3.84 -1.26 -4.60 114.94 122.80 3i36 s ASN 975 Ca -0.08 -1.47 -0.29 0.00 0.21 0.00 0.00 52.86 51.23 3i36 s ASN 975 Cb -0.04 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 38.18 3i36 s ASN 975 CO 0.02 -1.73 0.85 0.00 -2.79 0.00 0.00 177.10 173.45 3i36 s ALA 976 N 5.96 -1.86 0.03 1.71 0.00 -1.26 -2.67 121.76 123.67 3i36 s ALA 976 Ca 0.52 1.60 0.02 0.00 0.00 0.00 0.00 51.96 54.10 3i36 s ALA 976 Cb -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3i36 s ALA 976 CO -0.05 -0.32 -0.07 -0.80 0.00 0.00 0.00 175.76 174.51 3i36 s ASN 977 N -0.72 0.79 0.15 0.00 0.01 0.18 -1.05 114.94 114.31 3i36 s ASN 977 Ca -0.04 -0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 51.36 3i36 s ASN 977 Cb -0.02 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.57 3i36 s ASN 977 CO 0.03 -0.14 1.34 -0.31 -1.51 0.00 0.00 177.10 176.51 3i36 s TYR 978 N -1.08 3.26 -0.10 2.20 2.02 0.03 -0.35 117.35 123.34 3i36 s TYR 978 Ca -0.07 1.11 0.04 0.00 -0.37 0.00 0.00 57.07 57.78 3i36 s TYR 978 Cb -0.08 -3.62 -0.00 0.00 -0.40 0.00 0.00 41.96 37.85 3i36 s TYR 978 CO 0.00 -2.06 -0.23 -1.64 -1.57 0.00 0.00 175.55 170.05 3i36 s MET 979 N 0.49 3.00 0.55 -0.62 -1.94 0.38 -4.88 119.30 116.28 3i36 s MET 979 Ca 0.60 -0.87 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 3i36 s MET 979 Cb -0.36 -2.31 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 3i36 s MET 979 CO 0.34 0.22 1.29 -2.14 -0.01 0.00 0.00 175.02 174.71 3i36 s PRO 980 N 0.26 3.14 0.00 2.03 0.02 -1.14 -1.62 135.00 137.70 3i36 s PRO 980 Ca -0.16 2.05 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3i36 s PRO 980 Cb -0.17 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.18 3i36 s PRO 980 CO 0.08 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3i36 n GLY 981 N 0.66 3.33 0.36 0.52 0.00 -0.01 -4.77 105.19 105.27 3i36 n GLY 981 Ca 0.11 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.99 3i36 n GLY 981 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i36 h TYR 982 N 0.34 1.05 0.04 1.61 3.20 -1.91 -3.31 116.97 117.99 3i36 h TYR 982 Ca 0.00 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.56 3i36 h TYR 982 Cb 0.00 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 3i36 h TYR 982 CO 0.00 0.66 -1.98 0.72 -1.64 0.00 0.00 178.16 175.92 3i36 n HIS 983 N -4.41 0.83 -3.66 -3.82 8.25 -1.26 -5.02 115.22 106.13 3i36 n HIS 983 Ca 0.09 0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.70 3i36 n HIS 983 Cb 0.02 -1.13 -0.03 0.00 1.12 0.00 0.00 29.99 29.97 3i36 n HIS 983 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3i36 s SER 984 N -6.34 -0.31 0.46 0.41 1.04 -1.25 -5.02 113.70 102.70 3i36 s SER 984 Ca -0.14 -0.36 0.32 0.00 0.48 0.00 0.00 55.95 56.24 3i36 s SER 984 Cb 0.07 0.57 1.45 0.00 0.10 0.00 0.00 66.02 68.21 3i36 s SER 984 CO 0.79 -1.01 1.95 0.50 0.98 0.00 0.00 173.24 176.44 3i36 h LYS 985 N 2.19 0.00 0.00 4.02 3.64 -1.89 0.07 116.57 124.60 3i36 h LYS 985 Ca -0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3i36 h LYS 985 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3i36 h LYS 985 CO 0.39 0.00 -0.48 1.63 -2.27 0.00 0.00 179.45 178.71 3i36 n LYS 986 N -2.75 1.53 0.25 1.90 5.02 -1.26 -2.87 118.16 119.98 3i36 n LYS 986 Ca 0.00 -3.23 0.08 0.00 -2.02 0.00 0.00 58.31 53.14 3i36 n LYS 986 Cb 0.20 -1.57 0.64 0.00 -0.02 0.00 0.00 35.03 34.28 3i36 n LYS 986 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i36 h ASP 987 N 0.94 0.00 -4.25 4.39 3.45 -1.50 -3.37 116.42 116.08 3i36 h ASP 987 Ca -0.01 0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.10 3i36 h ASP 987 Cb 1.02 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.62 3i36 h ASP 987 CO 0.00 0.07 -0.74 -0.36 -1.57 0.00 0.00 179.24 176.64 3i36 s PHE 988 N -4.80 1.18 -0.16 4.55 0.40 -0.64 -0.27 117.98 118.23 3i36 s PHE 988 Ca -0.04 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 3i36 s PHE 988 Cb 0.16 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 43.07 3i36 s PHE 988 CO 0.66 0.05 -0.20 0.42 0.70 0.00 0.00 175.22 176.85 3i36 s ILE 989 N -2.39 2.17 -0.18 0.64 1.01 0.50 -0.47 121.20 122.49 3i36 s ILE 989 Ca 0.07 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 3i36 s ILE 989 Cb -0.03 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3i36 s ILE 989 CO 0.01 0.54 0.30 0.00 0.00 0.00 0.00 174.94 175.78 3i36 s ALA 990 N 1.02 3.59 0.12 9.38 0.00 0.53 -0.12 121.76 136.28 3i36 s ALA 990 Ca -0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 3i36 s ALA 990 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 3i36 s ALA 990 CO -0.06 -0.01 0.13 -0.08 0.00 0.00 0.00 175.76 175.74 3i36 s THR 991 N 0.69 0.11 0.68 0.00 -1.32 -0.60 -0.65 115.64 114.55 3i36 s THR 991 Ca 0.16 -1.66 -0.11 0.00 -1.21 0.00 0.00 61.69 58.87 3i36 s THR 991 Cb -0.13 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.02 3i36 s THR 991 CO 0.04 -0.51 1.06 0.00 -2.21 0.00 0.00 174.62 173.00 3i36 s GLN 992 N -3.98 3.12 0.14 7.08 -2.07 -1.09 -3.66 119.66 119.19 3i36 s GLN 992 Ca 0.17 0.70 -0.31 0.00 -1.82 0.00 0.00 55.36 54.10 3i36 s GLN 992 Cb 0.06 -2.03 -0.10 0.00 -1.09 0.00 0.00 33.01 29.85 3i36 s GLN 992 CO -0.02 -0.90 1.60 0.20 -1.32 0.00 0.00 175.29 174.85 3i36 s GLY 993 N -4.13 1.54 0.75 2.60 0.00 0.11 -4.86 107.32 103.34 3i36 s GLY 993 Ca 0.57 1.34 -0.11 0.00 0.00 0.00 0.00 44.72 46.51 3i36 s GLY 993 CO 0.54 2.73 1.09 2.56 0.00 0.00 0.00 173.10 180.01 3i36 s PRO 994 N 1.60 2.36 0.37 2.90 0.04 -1.26 -4.71 135.00 136.31 3i36 s PRO 994 Ca 0.72 1.20 0.07 0.00 0.04 0.00 0.00 61.00 63.02 3i36 s PRO 994 Cb -0.43 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 3i36 s PRO 994 CO 0.32 -1.56 0.51 -0.51 0.04 0.00 0.00 177.00 175.80 3i36 s LEU 995 N -5.75 3.86 0.37 -3.56 1.43 -1.26 -1.91 118.68 111.86 3i36 s LEU 995 Ca 0.62 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 3i36 s LEU 995 Cb -0.18 -2.75 0.82 0.00 0.03 0.00 0.00 46.19 44.12 3i36 s LEU 995 CO 0.54 -0.55 1.92 -0.65 0.23 0.00 0.00 176.35 177.84 3i36 h PRO 996 N 0.78 0.66 -0.01 1.29 0.11 -1.98 0.19 132.00 133.04 3i36 h PRO 996 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i36 h PRO 996 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i36 h PRO 996 CO 0.51 0.43 -0.02 0.27 -0.21 0.00 0.00 178.00 178.98 3i36 n ASN 997 N -4.51 0.84 -0.05 -2.05 6.94 -1.26 -3.59 115.26 111.58 3i36 n ASN 997 Ca 0.14 -1.19 0.03 0.00 -0.02 0.00 0.00 54.58 53.53 3i36 n ASN 997 Cb 0.37 -0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.82 3i36 n ASN 997 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i36 n THR 998 N -0.40 1.23 -0.15 5.53 -2.24 0.00 -4.71 114.28 113.54 3i36 n THR 998 Ca 0.20 -1.32 -0.08 0.00 -2.27 0.00 0.00 64.05 60.58 3i36 n THR 998 Cb 0.26 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 3i36 n THR 998 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i36 h LEU 999 N 0.09 0.55 -0.51 3.22 3.38 -1.48 0.30 115.31 120.85 3i36 h LEU 999 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3i36 h LEU 999 Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3i36 h LEU 999 CO 0.00 0.44 0.23 0.11 0.09 0.00 0.00 178.44 179.31 3i36 h LYS 1000N 0.61 0.75 -0.69 1.13 1.57 -1.85 -1.33 116.57 116.76 3i36 h LYS 1000Ca 0.16 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3i36 h LYS 1000Cb -0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3i36 h LYS 1000CO -0.03 0.64 0.43 -0.44 -0.57 0.00 0.00 179.45 179.48 3i36 h ASP 1001N 0.69 0.69 0.10 0.86 3.32 -1.75 0.12 116.42 120.46 3i36 h ASP 1001Ca 0.17 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i36 h ASP 1001Cb 0.15 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3i36 h ASP 1001CO -0.02 0.48 -0.13 0.15 -1.72 0.00 0.00 179.24 178.00 3i36 h PHE 1002N 0.83 -0.33 0.00 4.55 3.57 0.25 0.46 116.94 126.27 3i36 h PHE 1002Ca 0.28 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3i36 h PHE 1002Cb 0.03 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3i36 h PHE 1002CO -0.05 -0.20 -0.38 -1.49 -2.23 0.00 0.00 178.31 173.96 3i36 h TRP 1003N -0.27 0.00 -0.47 0.41 4.06 -0.99 -0.32 115.95 118.38 3i36 h TRP 1003Ca 0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.87 3i36 h TRP 1003Cb 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 3i36 h TRP 1003CO -0.14 0.38 -0.08 -0.09 -3.56 0.00 0.00 178.44 174.96 3i36 h ARG 1004N 0.00 0.82 -0.18 0.49 2.43 -0.23 0.22 114.38 117.93 3i36 h ARG 1004Ca -0.00 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 3i36 h ARG 1004Cb 0.71 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3i36 h ARG 1004CO 0.05 0.88 -0.04 1.98 -1.51 0.00 0.00 179.97 181.33 3i36 h MET 1005N 0.75 0.35 -0.54 0.20 4.05 -0.29 0.36 114.93 119.81 3i36 h MET 1005Ca 0.13 -0.13 0.10 0.00 -0.28 0.00 0.00 59.70 59.51 3i36 h MET 1005Cb 0.56 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.27 3i36 h MET 1005CO 0.03 0.61 0.12 0.28 0.23 0.00 0.00 176.91 178.18 3i36 h VAL 1006N 0.07 0.70 0.28 -5.77 2.07 -0.71 0.11 116.25 112.99 3i36 h VAL 1006Ca 0.05 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3i36 h VAL 1006Cb 0.48 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3i36 h VAL 1006CO 0.02 0.05 -0.13 -0.25 0.02 0.00 0.00 177.57 177.27 3i36 h TRP 1007N 0.26 -0.34 0.00 1.57 2.91 -0.29 -1.38 115.95 118.67 3i36 h TRP 1007Ca 0.28 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.23 3i36 h TRP 1007Cb 0.38 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 3i36 h TRP 1007CO -0.23 0.02 -0.26 0.93 -1.03 0.00 0.00 178.44 177.86 3i36 h GLU 1008N -0.86 0.00 -0.70 2.65 5.08 -0.15 -2.56 114.58 118.04 3i36 h GLU 1008Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i36 h GLU 1008Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3i36 h GLU 1008CO 0.06 0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.97 3i36 n LYS 1009N -3.90 3.02 -2.68 2.33 4.76 0.37 -4.95 118.16 117.11 3i36 n LYS 1009Ca -0.02 -2.71 -0.12 0.00 -2.87 0.00 0.00 58.31 52.59 3i36 n LYS 1009Cb 0.35 -1.65 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 3i36 n LYS 1009CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i36 n ASN 1010N 1.47 -3.96 -4.68 4.39 5.15 -0.96 -4.26 115.26 112.40 3i36 n ASN 1010Ca 0.25 -0.16 -0.43 0.00 -0.60 0.00 0.00 54.58 53.64 3i36 n ASN 1010Cb 0.69 -2.83 -0.02 0.00 -0.53 0.00 0.00 39.78 37.09 3i36 n ASN 1010CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i36 s VAL 1011N -2.88 4.73 -0.15 3.44 1.01 -0.53 -4.19 120.40 121.82 3i36 s VAL 1011Ca 0.17 2.01 0.10 0.00 0.00 0.00 0.00 61.98 64.26 3i36 s VAL 1011Cb -0.07 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 3i36 s VAL 1011CO 0.21 -0.03 0.29 -1.22 0.00 0.00 0.00 175.10 174.35 3i36 n TYR 1012N 5.24 0.00 -4.43 5.22 4.02 -1.26 -4.84 117.16 121.11 3i36 n TYR 1012Ca 0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.76 3i36 n TYR 1012Cb 0.48 -0.17 -0.16 0.00 -0.02 0.00 0.00 39.34 39.47 3i36 n TYR 1012CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i36 s ALA 1013N -2.50 1.00 -0.08 -0.72 0.00 -1.26 -0.31 121.76 117.89 3i36 s ALA 1013Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3i36 s ALA 1013Cb 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3i36 s ALA 1013CO 0.43 0.10 -0.20 0.42 0.00 0.00 0.00 175.76 176.51 3i36 s ILE 1014N 0.57 2.50 -0.23 0.00 1.01 0.08 -1.23 121.20 123.90 3i36 s ILE 1014Ca -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3i36 s ILE 1014Cb -0.13 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3i36 s ILE 1014CO 0.02 0.56 -0.04 -0.69 0.00 0.00 0.00 174.94 174.79 3i36 s VAL 1015N -0.04 3.26 -0.19 2.92 1.01 0.24 0.45 120.40 128.06 3i36 s VAL 1015Ca -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3i36 s VAL 1015Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3i36 s VAL 1015CO 0.05 0.34 -0.08 -0.32 0.00 0.00 0.00 175.10 175.08 3i36 s MET 1016N 1.44 3.35 -0.28 2.72 0.00 0.59 -0.60 119.30 126.52 3i36 s MET 1016Ca 0.04 -0.66 0.09 0.00 0.00 0.00 0.00 55.69 55.16 3i36 s MET 1016Cb -0.15 -2.86 0.46 0.00 0.00 0.00 0.00 34.83 32.28 3i36 s MET 1016CO -0.03 -0.07 1.32 1.28 0.00 0.00 0.00 175.02 177.51 3i36 n LEU 1017N 4.39 3.96 -3.76 4.11 4.77 0.73 -0.35 117.00 130.86 3i36 n LEU 1017Ca -0.18 -4.14 -0.12 0.00 -0.03 0.00 0.00 56.01 51.54 3i36 n LEU 1017Cb 0.51 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3i36 n LEU 1017CO 0.29 1.58 0.03 0.28 -1.33 0.00 0.00 177.39 178.23 3i36 s THR 1018N -3.71 0.08 0.58 -5.08 -1.32 -1.23 -4.79 115.64 100.17 3i36 s THR 1018Ca 0.45 -0.66 -0.14 0.00 -1.21 0.00 0.00 61.69 60.13 3i36 s THR 1018Cb 0.40 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 3i36 s THR 1018CO -0.02 -0.36 1.02 -0.54 -2.21 0.00 0.00 174.62 172.51 3i36 s LYS 1019N -2.40 3.66 0.43 7.08 1.02 -1.26 -4.82 119.74 123.45 3i36 s LYS 1019Ca -0.06 0.88 0.09 0.00 0.02 0.00 0.00 55.97 56.90 3i36 s LYS 1019Cb -0.01 -2.09 0.93 0.00 -0.52 0.00 0.00 37.83 36.13 3i36 s LYS 1019CO -0.02 -0.51 2.07 0.00 -0.92 0.00 0.00 175.35 175.97 3i36 s VAL 1021N -5.41 1.02 -0.24 0.00 1.01 -1.26 0.12 120.40 115.65 3i36 s VAL 1021Ca -0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3i36 s VAL 1021Cb 0.17 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.67 3i36 s VAL 1021CO 0.72 0.33 0.06 -1.61 0.00 0.00 0.00 175.10 174.60 3i36 s GLU 1022N 0.81 0.66 -0.50 2.72 2.02 0.45 -4.77 118.70 120.09 3i36 s GLU 1022Ca -0.12 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 3i36 s GLU 1022Cb -0.15 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 3i36 s GLU 1022CO 0.02 -0.77 0.42 0.00 0.02 0.00 0.00 175.26 174.95 3i36 n GLN 1023N 5.00 -2.48 -1.29 1.61 10.64 -1.26 -3.31 117.38 126.30 3i36 n GLN 1023Ca -0.07 0.36 -0.10 0.00 -1.83 0.00 0.00 57.00 55.36 3i36 n GLN 1023Cb 0.45 -3.82 -0.04 0.00 -0.86 0.00 0.00 30.24 25.97 3i36 n GLN 1023CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i36 n GLY 1024N -1.11 1.06 3.20 2.61 0.00 -1.26 -4.94 105.19 104.74 3i36 n GLY 1024Ca -0.11 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 3i36 n GLY 1024CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i36 s ARG 1025N -2.64 1.30 -0.21 1.61 1.70 -1.21 -5.10 118.95 114.41 3i36 s ARG 1025Ca 0.00 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.18 3i36 s ARG 1025Cb 0.00 -1.33 -0.01 0.00 -0.57 0.00 0.00 34.95 33.04 3i36 s ARG 1025CO 0.00 0.35 1.26 0.99 -1.08 0.00 0.00 175.30 176.81 3i36 s THR 1026N -0.67 4.27 -0.04 4.99 2.01 -1.26 -0.41 115.64 124.54 3i36 s THR 1026Ca 0.06 1.52 0.20 0.00 0.31 0.00 0.00 61.69 63.78 3i36 s THR 1026Cb -0.08 -4.06 -0.31 0.00 0.01 0.00 0.00 72.50 68.06 3i36 s THR 1026CO 0.01 -0.23 0.42 0.29 -0.69 0.00 0.00 174.62 174.42 3i36 n LYS 1027N 6.78 0.64 -3.64 4.92 4.76 0.32 -4.94 118.16 127.00 3i36 n LYS 1027Ca 0.14 -0.17 -0.08 0.00 -2.87 0.00 0.00 58.31 55.33 3i36 n LYS 1027Cb 0.45 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.09 3i36 n LYS 1027CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i36 s GLU 1029N 0.56 3.19 -1.03 0.00 0.41 -0.80 -4.49 118.70 116.55 3i36 s GLU 1029Ca -0.00 1.70 -0.23 0.00 -0.41 0.00 0.00 54.97 56.03 3i36 s GLU 1029Cb -0.05 -1.97 0.04 0.00 -1.78 0.00 0.00 34.13 30.37 3i36 s GLU 1029CO -0.09 -1.00 1.53 -2.00 -0.49 0.00 0.00 175.26 173.22 3i36 s GLU 1030N -3.31 3.49 0.00 1.61 2.12 -1.26 -4.76 118.70 116.59 3i36 s GLU 1030Ca 0.75 -1.09 0.28 0.00 0.36 0.00 0.00 54.97 55.27 3i36 s GLU 1030Cb -0.27 -5.34 1.11 0.00 0.26 0.00 0.00 34.13 29.90 3i36 s GLU 1030CO 0.30 -2.37 1.78 2.48 -0.54 0.00 0.00 175.26 176.91 3i36 n TYR 1031N 9.51 0.00 -4.20 5.30 0.18 -1.26 -4.85 117.16 121.83 3i36 n TYR 1031Ca 0.35 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.84 3i36 n TYR 1031Cb 0.50 -0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.37 3i36 n TYR 1031CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3i36 s TRP 1032N -2.01 2.82 0.67 -3.48 -2.14 -1.26 -5.04 118.94 108.50 3i36 s TRP 1032Ca 0.38 -0.12 -0.05 0.00 2.66 0.00 0.00 56.10 58.98 3i36 s TRP 1032Cb 0.21 -1.44 0.06 0.00 -3.10 0.00 0.00 33.47 29.20 3i36 s TRP 1032CO 0.34 0.47 0.96 -1.25 -2.66 0.00 0.00 176.95 174.81 3i36 s PRO 1033N -2.46 2.24 0.00 3.25 0.04 -1.26 -5.10 135.00 131.71 3i36 s PRO 1033Ca 0.24 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.86 3i36 s PRO 1033Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3i36 s PRO 1033CO 0.16 -1.13 0.00 -1.13 0.04 0.00 0.00 177.00 174.94 3i36 n SER 1034N -2.79 0.00 -0.06 6.66 3.41 -1.26 -4.37 113.62 115.21 3i36 n SER 1034Ca 0.08 -0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 3i36 n SER 1034Cb 0.60 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.09 3i36 n SER 1034CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3i36 h LYS 1035N 0.00 0.32 -6.20 4.33 -0.00 -1.94 -0.99 116.57 112.09 3i36 h LYS 1035Ca 0.00 -0.02 -0.56 0.00 -0.00 0.00 0.00 60.65 60.07 3i36 h LYS 1035Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 32.23 32.13 3i36 h LYS 1035CO 0.00 0.21 0.98 -1.14 -0.00 0.00 0.00 179.45 179.50 3i36 s GLN 1036N -5.32 4.19 0.29 0.07 -0.44 -1.26 -4.13 119.66 113.05 3i36 s GLN 1036Ca -0.07 1.82 -0.29 0.00 -2.50 0.00 0.00 55.36 54.32 3i36 s GLN 1036Cb 0.20 -3.85 -0.13 0.00 -1.64 0.00 0.00 33.01 27.58 3i36 s GLN 1036CO 0.74 -0.79 1.27 0.00 0.50 0.00 0.00 175.29 177.02 3i36 n ALA 1037N 6.89 0.85 -2.46 1.58 0.00 -1.26 -4.74 120.51 121.38 3i36 n ALA 1037Ca 0.15 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.72 3i36 n ALA 1037Cb 0.44 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 3i36 n ALA 1037CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3i36 s GLN 1038N -1.23 1.52 -0.14 0.00 -0.21 0.48 -4.95 119.66 115.13 3i36 s GLN 1038Ca 0.61 -0.84 -0.17 0.00 0.02 0.00 0.00 55.36 54.98 3i36 s GLN 1038Cb -0.63 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 3i36 s GLN 1038CO 0.57 0.41 0.41 0.16 -2.12 0.00 0.00 175.29 174.72 3i36 s ASP 1039N -0.84 6.58 -0.47 5.90 -4.77 -1.26 -0.88 116.67 120.92 3i36 s ASP 1039Ca 0.08 0.69 0.01 0.00 -3.30 0.00 0.00 52.55 50.02 3i36 s ASP 1039Cb -0.08 -2.25 0.13 0.00 -1.09 0.00 0.00 42.92 39.62 3i36 s ASP 1039CO 0.01 0.02 0.24 -0.31 0.70 0.00 0.00 175.17 175.82 3i36 s TYR 1040N 0.66 3.47 0.00 2.11 2.02 0.25 -4.98 117.35 120.88 3i36 s TYR 1040Ca 0.22 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 54.06 3i36 s TYR 1040Cb -0.14 -3.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 3i36 s TYR 1040CO 0.08 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.60 3i36 n GLY 1041N 3.80 3.63 0.03 0.71 0.00 -1.26 -1.64 105.19 110.46 3i36 n GLY 1041Ca 0.04 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3i36 n GLY 1041CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i36 n ASP 1042N 5.27 0.12 -4.65 1.61 8.00 -1.26 -4.78 116.55 120.86 3i36 n ASP 1042Ca 0.00 -0.22 -0.37 0.00 0.71 0.00 0.00 54.79 54.91 3i36 n ASP 1042Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 3i36 n ASP 1042CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i36 s ILE 1043N -2.57 5.34 -0.12 0.53 -1.09 -0.65 -0.60 121.20 122.04 3i36 s ILE 1043Ca 0.28 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.85 3i36 s ILE 1043Cb 0.20 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 3i36 s ILE 1043CO 0.47 0.34 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.58 3i36 s THR 1044N 1.09 3.74 -0.03 2.92 2.01 0.18 0.88 115.64 126.43 3i36 s THR 1044Ca 0.07 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.68 3i36 s THR 1044Cb -0.14 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 3i36 s THR 1044CO 0.05 0.54 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.69 3i36 s VAL 1045N -0.08 1.15 -0.02 3.82 1.01 -0.06 -0.27 120.40 125.94 3i36 s VAL 1045Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3i36 s VAL 1045Cb -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3i36 s VAL 1045CO 0.03 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.43 3i36 s ALA 1046N -0.07 0.43 0.04 5.51 0.00 -0.94 -0.39 121.76 126.35 3i36 s ALA 1046Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 3i36 s ALA 1046Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3i36 s ALA 1046CO 0.01 0.02 0.97 1.41 0.00 0.00 0.00 175.76 178.16 3i36 s MET 1047N 0.52 4.62 -0.08 0.00 1.75 -0.38 -0.95 119.30 124.78 3i36 s MET 1047Ca -0.06 1.43 0.17 0.00 -1.25 0.00 0.00 55.69 55.98 3i36 s MET 1047Cb -0.09 -3.43 -0.25 0.00 2.84 0.00 0.00 34.83 33.91 3i36 s MET 1047CO -0.01 0.06 0.25 0.25 -0.65 0.00 0.00 175.02 174.93 3i36 n THR 1048N 3.45 0.47 -3.44 10.11 -2.24 0.27 -4.01 114.28 118.88 3i36 n THR 1048Ca 0.04 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 3i36 n THR 1048Cb 0.50 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 3i36 n THR 1048CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i36 s SER 1049N -4.47 -0.54 -0.15 3.42 1.04 -1.10 -4.97 113.70 106.93 3i36 s SER 1049Ca -0.07 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 3i36 s SER 1049Cb 0.09 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.83 3i36 s SER 1049CO 0.72 -0.88 0.32 -0.70 0.98 0.00 0.00 173.24 173.69 3i36 s GLU 1050N -3.43 0.24 -0.20 4.02 2.12 -1.26 -0.55 118.70 119.65 3i36 s GLU 1050Ca 0.01 0.80 -0.00 0.00 0.36 0.00 0.00 54.97 56.14 3i36 s GLU 1050Cb -0.01 0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.45 3i36 s GLU 1050CO -0.11 -0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.31 3i36 s VAL 1051N 2.16 2.48 -0.20 3.70 1.01 0.34 -4.98 120.40 124.90 3i36 s VAL 1051Ca -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3i36 s VAL 1051Cb -0.11 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3i36 s VAL 1051CO -0.10 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.89 3i36 s VAL 1052N 1.34 5.10 0.35 2.92 1.01 -1.26 -0.77 120.40 129.09 3i36 s VAL 1052Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3i36 s VAL 1052Cb -0.14 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 3i36 s VAL 1052CO -0.10 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 174.59 3i36 s LEU 1053N 0.48 2.74 0.36 3.92 1.43 0.11 -5.00 118.68 122.73 3i36 s LEU 1053Ca 0.06 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 3i36 s LEU 1053Cb -0.12 -0.98 0.67 0.00 0.03 0.00 0.00 46.19 45.79 3i36 s LEU 1053CO -0.00 -0.23 1.97 -0.65 0.23 0.00 0.00 176.35 177.67 3i36 h PRO 1054N 2.01 0.67 0.08 1.29 0.11 -2.02 -3.15 132.00 130.99 3i36 h PRO 1054Ca -0.42 -0.07 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 3i36 h PRO 1054Cb 1.25 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i36 h PRO 1054CO 0.71 0.51 -1.17 0.93 -0.21 0.00 0.00 178.00 178.78 3i36 h GLU 1055N 0.68 0.59 -2.80 1.05 3.07 -1.96 -3.42 114.58 111.78 3i36 h GLU 1055Ca 0.17 -0.74 0.03 0.00 -0.50 0.00 0.00 59.36 58.32 3i36 h GLU 1055Cb 0.06 0.24 -0.12 0.00 -0.84 0.00 0.00 28.75 28.08 3i36 h GLU 1055CO -0.02 1.32 0.29 1.67 -1.40 0.00 0.00 179.01 180.87 3i36 s TRP 1056N -3.07 -0.45 -0.04 4.33 -2.14 -1.19 -2.37 118.94 114.01 3i36 s TRP 1056Ca -0.09 0.24 0.07 0.00 2.66 0.00 0.00 56.10 58.98 3i36 s TRP 1056Cb 0.06 0.57 -0.02 0.00 -3.10 0.00 0.00 33.47 30.99 3i36 s TRP 1056CO 0.92 -0.81 -0.25 0.99 -2.66 0.00 0.00 176.95 175.14 3i36 s THR 1057N -3.60 2.04 -0.13 0.66 2.01 0.94 -0.71 115.64 116.85 3i36 s THR 1057Ca 0.03 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.96 3i36 s THR 1057Cb -0.01 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 3i36 s THR 1057CO -0.10 0.57 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.60 3i36 s ILE 1058N -0.40 2.57 -0.05 1.82 1.01 0.05 0.19 121.20 126.39 3i36 s ILE 1058Ca 0.04 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.91 3i36 s ILE 1058Cb -0.12 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3i36 s ILE 1058CO 0.01 0.53 -0.20 -0.13 0.00 0.00 0.00 174.94 175.15 3i36 s ARG 1059N 0.55 2.15 -0.07 2.79 0.52 -0.16 -0.51 118.95 124.22 3i36 s ARG 1059Ca -0.11 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 3i36 s ARG 1059Cb -0.16 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 3i36 s ARG 1059CO 0.04 0.28 0.02 -0.51 0.02 0.00 0.00 175.30 175.15 3i36 s ASP 1060N 0.02 5.36 0.19 0.23 1.01 0.29 0.13 116.67 123.90 3i36 s ASP 1060Ca -0.05 0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.40 3i36 s ASP 1060Cb -0.13 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 3i36 s ASP 1060CO 0.03 0.36 -0.03 -0.36 0.21 0.00 0.00 175.17 175.38 3i36 s PHE 1061N -0.95 1.39 -0.16 4.23 0.08 0.78 0.94 117.98 124.29 3i36 s PHE 1061Ca 0.15 -0.89 -0.04 0.00 0.12 0.00 0.00 56.93 56.27 3i36 s PHE 1061Cb -0.11 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3i36 s PHE 1061CO 0.04 -0.04 -0.02 0.08 -0.10 0.00 0.00 175.22 175.18 3i36 s VAL 1062N -3.44 4.02 -0.18 -0.44 1.01 -0.12 -1.39 120.40 119.87 3i36 s VAL 1062Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 3i36 s VAL 1062Cb 0.05 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3i36 s VAL 1062CO 0.05 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 3i36 s VAL 1063N 0.32 3.60 -0.03 2.92 1.01 0.57 -2.21 120.40 126.58 3i36 s VAL 1063Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i36 s VAL 1063Cb -0.14 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3i36 s VAL 1063CO 0.03 0.47 -0.15 -0.75 0.00 0.00 0.00 175.10 174.69 3i36 s LYS 1064N 0.77 1.49 -0.44 2.72 2.20 0.63 -1.15 119.74 125.96 3i36 s LYS 1064Ca -0.02 -0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 54.83 3i36 s LYS 1064Cb -0.15 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 34.85 3i36 s LYS 1064CO 0.02 0.26 0.68 1.21 -0.36 0.00 0.00 175.35 177.16 3i36 s ASN 1065N -0.08 6.35 0.48 1.43 3.84 -0.06 0.50 114.94 127.41 3i36 s ASN 1065Ca -0.00 -0.25 0.23 0.00 0.21 0.00 0.00 52.86 53.04 3i36 s ASN 1065Cb -0.09 -2.34 1.23 0.00 -0.55 0.00 0.00 41.25 39.50 3i36 s ASN 1065CO 0.01 -0.81 2.00 0.24 -2.79 0.00 0.00 177.10 175.76 3i36 h MET 1066N 8.88 0.00 -0.15 0.43 2.86 -1.14 0.29 114.93 126.09 3i36 h MET 1066Ca -0.25 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.25 3i36 h MET 1066Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3i36 h MET 1066CO 0.91 0.18 -0.48 1.96 1.06 0.00 0.00 176.91 180.53 3i36 h GLN 1067N 0.00 0.40 0.00 1.72 7.50 -1.92 -3.34 115.11 119.47 3i36 h GLN 1067Ca -0.00 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 58.92 3i36 h GLN 1067Cb 0.41 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.96 3i36 h GLN 1067CO 0.02 0.80 -0.80 -1.13 -1.50 0.00 0.00 178.83 176.22 3i36 n SER 1068N -3.98 1.15 -0.09 1.46 3.41 -0.85 -4.97 113.62 109.75 3i36 n SER 1068Ca -0.02 -0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 58.07 3i36 n SER 1068Cb 0.55 1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 65.65 3i36 n SER 1068CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i36 n SER 1069N -1.44 -4.87 -4.81 4.04 7.64 0.95 -4.99 113.62 110.13 3i36 n SER 1069Ca 0.01 0.03 -0.34 0.00 1.01 0.00 0.00 58.87 59.58 3i36 n SER 1069Cb 0.20 -2.48 -0.07 0.00 -1.01 0.00 0.00 64.21 60.85 3i36 n SER 1069CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3i36 s GLU 1070N -1.44 4.28 0.15 1.43 2.02 -1.22 -4.91 118.70 119.01 3i36 s GLU 1070Ca 0.00 1.16 -0.14 0.00 0.02 0.00 0.00 54.97 56.01 3i36 s GLU 1070Cb 0.00 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.97 3i36 s GLU 1070CO 0.00 0.01 0.39 -1.54 0.02 0.00 0.00 175.26 174.14 3i36 s SER 1071N -2.08 -0.15 0.19 -0.19 1.04 -1.26 -0.88 113.70 110.36 3i36 s SER 1071Ca 0.60 -0.49 -0.24 0.00 0.48 0.00 0.00 55.95 56.30 3i36 s SER 1071Cb -0.11 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.54 3i36 s SER 1071CO 0.15 -0.90 0.86 -1.38 0.98 0.00 0.00 173.24 172.95 3i36 s HIS 1072N -3.86 -0.18 0.66 5.02 -3.43 -0.30 -4.99 115.29 108.22 3i36 s HIS 1072Ca 0.07 -0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 54.05 3i36 s HIS 1072Cb 0.02 0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 31.81 3i36 s HIS 1072CO -0.08 -0.95 1.05 -2.14 -2.00 0.00 0.00 174.74 170.62 3i36 s PRO 1073N -3.51 3.17 -0.06 -0.38 0.02 -1.26 -0.32 135.00 132.66 3i36 s PRO 1073Ca 0.11 0.92 -0.04 0.00 0.02 0.00 0.00 61.00 62.00 3i36 s PRO 1073Cb -0.03 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.50 3i36 s PRO 1073CO 0.03 -0.92 0.16 -1.17 -0.33 0.00 0.00 177.00 174.77 3i36 s LEU 1074N -5.34 1.09 -0.08 -5.54 0.20 -0.49 -4.63 118.68 103.88 3i36 s LEU 1074Ca 0.58 0.32 0.02 0.00 0.69 0.00 0.00 54.13 55.73 3i36 s LEU 1074Cb -0.13 0.48 -0.02 0.00 -0.43 0.00 0.00 46.19 46.08 3i36 s LEU 1074CO 0.53 -0.10 -0.13 -0.60 -0.29 0.00 0.00 176.35 175.76 3i36 s ARG 1075N 0.58 2.89 -0.20 1.98 3.52 0.58 -0.16 118.95 128.14 3i36 s ARG 1075Ca -0.04 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3i36 s ARG 1075Cb -0.06 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 3i36 s ARG 1075CO -0.03 0.45 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.70 3i36 s GLN 1076N -0.28 3.35 -0.48 5.12 0.74 0.12 -0.74 119.66 127.49 3i36 s GLN 1076Ca 0.02 -0.65 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 3i36 s GLN 1076Cb -0.13 -2.91 0.07 0.00 1.10 0.00 0.00 33.01 31.14 3i36 s GLN 1076CO 0.03 -0.13 0.45 -0.06 -0.55 0.00 0.00 175.29 175.03 3i36 s PHE 1077N 1.27 3.20 -0.53 1.67 0.08 0.17 -0.99 117.98 122.85 3i36 s PHE 1077Ca 0.03 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 56.09 3i36 s PHE 1077Cb -0.14 -3.26 0.13 0.00 -0.57 0.00 0.00 43.02 39.17 3i36 s PHE 1077CO -0.03 -0.86 0.48 -1.58 -0.10 0.00 0.00 175.22 173.14 3i36 s HIS 1078N 1.87 3.28 -0.49 0.36 2.46 0.13 -0.30 115.29 122.61 3i36 s HIS 1078Ca 0.07 -1.39 -0.29 0.00 0.47 0.00 0.00 55.06 53.92 3i36 s HIS 1078Cb -0.23 -3.76 0.02 0.00 -0.13 0.00 0.00 32.58 28.49 3i36 s HIS 1078CO 0.08 -1.02 1.23 0.12 -2.47 0.00 0.00 174.74 172.69 3i36 s PHE 1079N 1.54 2.63 -2.14 3.88 2.19 0.53 -0.04 117.98 126.57 3i36 s PHE 1079Ca 0.04 0.62 0.21 0.00 0.33 0.00 0.00 56.93 58.13 3i36 s PHE 1079Cb -0.29 -4.43 0.05 0.00 -1.31 0.00 0.00 43.02 37.04 3i36 s PHE 1079CO 0.02 -1.55 1.07 0.25 1.83 0.00 0.00 175.22 176.84 3i36 n THR 1080N 6.87 0.00 -0.61 0.12 -2.24 -1.00 -3.56 114.28 113.86 3i36 n THR 1080Ca 0.12 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 3i36 n THR 1080Cb 0.49 1.31 0.22 0.00 -2.10 0.00 0.00 70.33 70.24 3i36 n THR 1080CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i36 n SER 1081N 0.37 3.50 -4.73 3.42 3.41 -1.13 -4.74 113.62 113.72 3i36 n SER 1081Ca 0.10 -2.54 -0.42 0.00 -0.26 0.00 0.00 58.87 55.75 3i36 n SER 1081Cb 0.47 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3i36 n SER 1081CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3i36 s TRP 1082N -1.97 3.10 0.67 7.33 -0.11 -1.26 -4.94 118.94 121.76 3i36 s TRP 1082Ca 0.34 0.96 -0.17 0.00 1.22 0.00 0.00 56.10 58.45 3i36 s TRP 1082Cb 0.24 -3.79 0.01 0.00 -1.50 0.00 0.00 33.47 28.43 3i36 s TRP 1082CO 0.12 -2.67 1.25 -2.14 -4.62 0.00 0.00 176.95 168.90 3i36 s PRO 1083N 0.20 2.44 0.46 5.86 0.02 -1.26 -4.86 135.00 137.86 3i36 s PRO 1083Ca 0.62 1.93 0.13 0.00 0.02 0.00 0.00 61.00 63.70 3i36 s PRO 1083Cb -0.41 -1.85 1.05 0.00 0.02 0.00 0.00 34.50 33.31 3i36 s PRO 1083CO 0.38 -1.65 2.05 -0.44 -0.33 0.00 0.00 177.00 177.02 3i36 h ASP 1084N 0.27 0.12 -4.23 2.53 3.32 -1.98 -3.41 116.42 113.05 3i36 h ASP 1084Ca -0.50 -0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.05 3i36 h ASP 1084Cb 1.32 -0.03 -0.29 0.00 0.22 0.00 0.00 39.33 40.55 3i36 h ASP 1084CO 0.52 0.17 -0.82 -1.00 -1.72 0.00 0.00 179.24 176.39 3i36 s HIS 1085N -4.97 1.31 0.04 4.55 3.76 -1.26 -5.02 115.29 113.70 3i36 s HIS 1085Ca -0.05 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 3i36 s HIS 1085Cb 0.16 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 33.01 3i36 s HIS 1085CO 0.70 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.98 3i36 n GLY 1086N 2.69 -1.72 3.97 -2.22 0.00 -1.26 -4.92 105.19 101.73 3i36 n GLY 1086Ca -0.14 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3i36 n GLY 1086CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i36 s VAL 1087N -0.40 3.74 0.52 1.61 -7.23 -1.26 -4.40 120.40 112.99 3i36 s VAL 1087Ca 0.00 -0.63 -0.21 0.00 -1.81 0.00 0.00 61.98 59.32 3i36 s VAL 1087Cb 0.00 -3.36 -0.07 0.00 0.56 0.00 0.00 36.38 33.51 3i36 s VAL 1087CO 0.00 -0.23 1.08 -2.65 -0.31 0.00 0.00 175.10 172.99 3i36 n PRO 1088N -2.04 1.28 0.16 4.82 -0.02 -1.26 -4.74 135.00 133.20 3i36 n PRO 1088Ca 0.02 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3i36 n PRO 1088Cb 0.58 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.26 3i36 n PRO 1088CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i36 h ASP 1089N 1.12 0.14 -3.69 2.55 3.32 -1.96 -3.44 116.42 114.45 3i36 h ASP 1089Ca -0.48 -0.03 -0.41 0.00 0.02 0.00 0.00 57.03 56.14 3i36 h ASP 1089Cb 1.34 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.71 3i36 h ASP 1089CO 0.54 0.31 -0.65 0.42 -1.72 0.00 0.00 179.24 178.14 3i36 s THR 1090N -4.68 1.11 -0.28 0.35 -4.23 -1.26 -5.06 115.64 101.59 3i36 s THR 1090Ca -0.05 -2.04 0.18 0.00 -1.18 0.00 0.00 61.69 58.60 3i36 s THR 1090Cb 0.15 -2.44 -0.25 0.00 1.34 0.00 0.00 72.50 71.30 3i36 s THR 1090CO 0.72 -0.26 0.50 0.35 -0.54 0.00 0.00 174.62 175.40 3i36 n THR 1091N -0.48 0.00 -0.32 3.99 -2.24 -1.26 -4.60 114.28 109.37 3i36 n THR 1091Ca -0.04 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 3i36 n THR 1091Cb 0.64 0.38 0.11 0.00 -2.10 0.00 0.00 70.33 69.36 3i36 n THR 1091CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3i36 h ASP 1092N 0.00 1.10 -0.21 3.42 3.04 -1.98 -0.93 116.42 120.86 3i36 h ASP 1092Ca 0.00 -0.10 -0.05 0.00 -3.24 0.00 0.00 57.03 53.65 3i36 h ASP 1092Cb 0.69 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.69 3i36 h ASP 1092CO 0.00 0.88 -0.05 -0.07 -2.04 0.00 0.00 179.24 177.96 3i36 h LEU 1093N 1.23 0.40 -0.91 0.15 3.38 -1.99 0.40 115.31 117.97 3i36 h LEU 1093Ca 0.31 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3i36 h LEU 1093Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3i36 h LEU 1093CO -0.05 0.67 0.03 0.25 0.09 0.00 0.00 178.44 179.43 3i36 h LEU 1094N 0.12 0.80 -0.35 1.67 5.85 -1.80 0.13 115.31 121.73 3i36 h LEU 1094Ca 0.05 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3i36 h LEU 1094Cb 0.50 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3i36 h LEU 1094CO 0.02 0.84 -0.04 0.40 -0.34 0.00 0.00 178.44 179.32 3i36 h ILE 1095N 0.78 1.27 -0.71 4.05 2.04 -0.84 0.12 117.51 124.23 3i36 h ILE 1095Ca 0.16 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 3i36 h ILE 1095Cb 0.43 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3i36 h ILE 1095CO 0.02 0.35 0.35 -1.13 0.00 0.00 0.00 178.15 177.74 3i36 h ASN 1096N 0.45 0.90 -0.28 1.72 -1.24 0.05 0.11 115.58 117.29 3i36 h ASN 1096Ca 0.09 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 3i36 h ASN 1096Cb 0.53 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3i36 h ASN 1096CO 0.03 0.75 0.10 0.15 -1.29 0.00 0.00 177.43 177.17 3i36 h PHE 1097N 0.99 0.43 -0.54 0.67 3.57 -0.46 -0.55 116.94 121.05 3i36 h PHE 1097Ca 0.25 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.78 3i36 h PHE 1097Cb 0.08 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3i36 h PHE 1097CO 0.01 0.44 0.21 -0.09 -2.23 0.00 0.00 178.31 176.65 3i36 h ARG 1098N 0.29 0.39 -0.95 1.11 2.43 -0.28 -1.12 114.38 116.25 3i36 h ARG 1098Ca 0.09 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3i36 h ARG 1098Cb 0.20 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.58 3i36 h ARG 1098CO -0.01 0.26 0.59 -0.92 -1.51 0.00 0.00 179.97 178.38 3i36 h TYR 1099N 0.40 1.07 -0.34 2.20 3.20 -0.51 0.51 116.97 123.49 3i36 h TYR 1099Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3i36 h TYR 1099Cb 0.28 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3i36 h TYR 1099CO -0.15 0.45 0.17 -0.07 -1.64 0.00 0.00 178.16 176.92 3i36 h LEU 1100N 0.97 0.44 -0.30 2.82 3.38 0.01 0.23 115.31 122.87 3i36 h LEU 1100Ca 0.45 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.34 3i36 h LEU 1100Cb 0.39 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3i36 h LEU 1100CO -0.24 0.43 0.10 0.58 0.09 0.00 0.00 178.44 179.40 3i36 h VAL 1101N 0.42 0.92 -0.66 1.22 2.07 -0.57 -1.86 116.25 117.80 3i36 h VAL 1101Ca 0.12 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3i36 h VAL 1101Cb 0.10 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3i36 h VAL 1101CO -0.02 0.04 0.21 0.03 0.02 0.00 0.00 177.57 177.86 3i36 h ARG 1102N 0.24 1.01 -0.45 1.57 2.47 -0.55 0.77 114.38 119.44 3i36 h ARG 1102Ca 0.13 -0.20 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3i36 h ARG 1102Cb 0.10 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 3i36 h ARG 1102CO -0.14 0.86 0.21 0.22 0.56 0.00 0.00 179.97 181.69 3i36 h ASP 1103N 0.97 0.30 -0.38 7.04 3.58 -0.06 -2.03 116.42 125.85 3i36 h ASP 1103Ca 0.22 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 3i36 h ASP 1103Cb 0.27 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3i36 h ASP 1103CO -0.01 0.22 0.06 0.22 -2.88 0.00 0.00 179.24 176.85 3i36 h TYR 1104N 0.43 0.66 -0.12 0.28 3.20 -0.84 -2.94 116.97 117.65 3i36 h TYR 1104Ca 0.20 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3i36 h TYR 1104Cb 0.12 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3i36 h TYR 1104CO -0.11 0.67 0.18 0.52 -1.64 0.00 0.00 178.16 177.78 3i36 h MET 1105N 0.47 0.00 0.00 1.82 2.86 -0.28 0.14 114.93 119.93 3i36 h MET 1105Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3i36 h MET 1105Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3i36 h MET 1105CO 0.01 0.00 0.00 0.87 1.06 0.00 0.00 176.91 178.85 3i36 h LYS 1106N 0.00 0.00 -0.02 1.72 1.57 -1.19 -2.27 116.57 116.38 3i36 h LYS 1106Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3i36 h LYS 1106Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3i36 h LYS 1106CO -0.00 0.00 -0.16 1.04 -0.57 0.00 0.00 179.45 179.75 3i36 n GLN 1107N -2.77 1.68 -3.91 3.15 6.02 0.48 -4.97 117.38 117.07 3i36 n GLN 1107Ca -0.01 -1.28 -0.32 0.00 -0.01 0.00 0.00 57.00 55.38 3i36 n GLN 1107Cb 0.17 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 3i36 n GLN 1107CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i36 s ILE 1108N -2.20 5.40 1.12 5.09 -1.09 -0.86 -5.08 121.20 123.58 3i36 s ILE 1108Ca 0.27 -0.28 -0.13 0.00 -2.23 0.00 0.00 60.65 58.28 3i36 s ILE 1108Cb 0.20 -3.59 0.25 0.00 -1.58 0.00 0.00 42.46 37.74 3i36 s ILE 1108CO 0.41 0.21 1.05 -2.84 -1.23 0.00 0.00 174.94 172.55 3i36 s PRO 1109N -2.28 -0.53 0.84 2.79 0.02 -1.26 -4.99 135.00 129.58 3i36 s PRO 1109Ca 0.32 0.58 -0.11 0.00 0.02 0.00 0.00 61.00 61.81 3i36 s PRO 1109Cb -0.13 -1.62 0.09 0.00 0.02 0.00 0.00 34.50 32.87 3i36 s PRO 1109CO 0.24 -3.40 1.09 -2.14 -0.33 0.00 0.00 177.00 172.47 3i36 s PRO 1110N -4.76 1.74 -1.44 5.54 0.02 -1.26 -3.77 135.00 131.07 3i36 s PRO 1110Ca 0.67 1.06 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 3i36 s PRO 1110Cb -0.21 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.50 3i36 s PRO 1110CO 0.61 -1.98 0.69 0.39 -0.33 0.00 0.00 177.00 176.38 3i36 n GLU 1111N -3.73 -4.35 -3.97 5.54 1.02 -1.26 -4.95 120.64 108.94 3i36 n GLU 1111Ca 0.08 0.52 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 3i36 n GLU 1111Cb 0.54 -5.04 -0.14 0.00 -0.02 0.00 0.00 31.44 26.78 3i36 n GLU 1111CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i36 s SER 1112N -4.00 4.83 0.37 1.62 0.15 -1.25 -4.83 113.70 110.60 3i36 s SER 1112Ca 0.24 -1.98 -0.27 0.00 0.70 0.00 0.00 55.95 54.64 3i36 s SER 1112Cb -0.12 -1.66 -0.09 0.00 -1.71 0.00 0.00 66.02 62.43 3i36 s SER 1112CO 0.85 -0.38 1.27 -2.84 1.20 0.00 0.00 173.24 173.34 3i36 s PRO 1113N 1.00 4.14 -0.13 5.44 0.02 -1.26 -4.85 135.00 139.35 3i36 s PRO 1113Ca 0.07 2.09 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 3i36 s PRO 1113Cb -0.20 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3i36 s PRO 1113CO -0.06 -0.33 0.87 0.42 -0.33 0.00 0.00 177.00 177.57 3i36 s ILE 1114N -1.25 4.87 -0.26 2.83 1.01 0.62 -4.34 121.20 124.68 3i36 s ILE 1114Ca 0.54 1.75 -0.21 0.00 0.00 0.00 0.00 60.65 62.73 3i36 s ILE 1114Cb -0.37 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 3i36 s ILE 1114CO 0.48 0.05 0.65 -0.22 0.00 0.00 0.00 174.94 175.90 3i36 s LEU 1115N 1.91 4.08 -0.07 2.97 0.20 -0.36 -0.37 118.68 127.04 3i36 s LEU 1115Ca 0.42 0.68 0.05 0.00 0.69 0.00 0.00 54.13 55.97 3i36 s LEU 1115Cb -0.17 -2.88 -0.01 0.00 -0.43 0.00 0.00 46.19 42.70 3i36 s LEU 1115CO 0.15 -0.41 -0.25 -0.69 -0.29 0.00 0.00 176.35 174.87 3i36 s VAL 1116N 2.57 2.05 0.05 1.68 1.01 0.82 0.82 120.40 129.40 3i36 s VAL 1116Ca 0.27 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3i36 s VAL 1116Cb -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3i36 s VAL 1116CO 0.09 0.57 0.34 -1.38 0.00 0.00 0.00 175.10 174.72 3i36 s HIS 1117N -0.00 -0.16 0.00 5.22 -3.43 0.23 -1.55 115.29 115.60 3i36 s HIS 1117Ca -0.09 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 3i36 s HIS 1117Cb -0.15 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 3i36 s HIS 1117CO 0.05 -0.53 0.00 0.00 -2.00 0.00 0.00 174.74 172.26 3i36 h SER 1119N 0.00 0.00 1.19 0.00 0.87 -1.89 -2.35 113.55 111.38 3i36 h SER 1119Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i36 h SER 1119Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3i36 h SER 1119CO 0.00 0.41 -0.42 0.00 -0.53 0.00 0.00 176.83 176.29 3i36 h ALA 1120N -1.42 0.74 -1.15 6.23 0.00 -1.88 0.32 119.26 122.09 3i36 h ALA 1120Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3i36 h ALA 1120Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i36 h ALA 1120CO 0.00 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.51 3i36 n GLY 1121N 1.28 0.23 0.52 0.00 0.00 -1.24 -3.91 105.19 102.07 3i36 n GLY 1121Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i36 n GLY 1121CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i36 n VAL 1122N -3.82 0.00 0.00 1.61 0.24 -1.26 -4.39 118.33 110.72 3i36 n VAL 1122Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3i36 n VAL 1122Cb 0.54 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3i36 n VAL 1122CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i36 n GLY 1123N 2.36 1.27 0.37 7.63 0.00 -1.26 -0.88 105.19 114.68 3i36 n GLY 1123Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3i36 n GLY 1123CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i36 h ARG 1124N 0.00 1.00 -0.04 1.61 3.08 -1.95 0.38 114.38 118.45 3i36 h ARG 1124Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3i36 h ARG 1124Cb 0.00 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3i36 h ARG 1124CO 0.00 0.66 0.03 1.15 -1.07 0.00 0.00 179.97 180.74 3i36 h THR 1125N 1.03 1.02 -0.55 2.04 2.02 -1.87 0.20 112.91 116.79 3i36 h THR 1125Ca 0.46 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.53 3i36 h THR 1125Cb 0.38 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3i36 h THR 1125CO -0.22 0.02 0.06 1.23 0.37 0.00 0.00 175.52 176.98 3i36 h GLY 1126N 0.05 0.97 0.92 2.16 0.00 -0.59 -0.55 103.07 106.04 3i36 h GLY 1126Ca 0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3i36 h GLY 1126CO -0.00 0.59 0.10 -0.84 0.00 0.00 0.00 176.54 176.39 3i36 h THR 1127N 0.85 1.13 -0.32 4.70 2.02 -0.45 0.10 112.91 120.94 3i36 h THR 1127Ca 0.17 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i36 h THR 1127Cb 0.42 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3i36 h THR 1127CO 0.01 0.13 0.19 0.15 0.37 0.00 0.00 175.52 176.36 3i36 h PHE 1128N 0.21 0.42 -0.60 3.16 3.57 -0.28 0.56 116.94 123.99 3i36 h PHE 1128Ca 0.07 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3i36 h PHE 1128Cb 0.11 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3i36 h PHE 1128CO -0.03 0.32 0.29 0.82 -2.23 0.00 0.00 178.31 177.48 3i36 h ILE 1129N 0.40 1.21 -0.68 1.41 2.04 -0.92 -0.96 117.51 120.02 3i36 h ILE 1129Ca 0.11 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3i36 h ILE 1129Cb 0.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3i36 h ILE 1129CO -0.02 0.24 0.31 0.00 0.00 0.00 0.00 178.15 178.69 3i36 h ALA 1130N 1.12 0.88 -0.77 1.87 0.00 -0.45 -0.88 119.26 121.03 3i36 h ALA 1130Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i36 h ALA 1130Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3i36 h ALA 1130CO -0.03 0.46 0.43 0.82 0.00 0.00 0.00 179.25 180.94 3i36 h ILE 1131N 0.96 1.23 -0.45 0.00 2.04 -0.39 0.23 117.51 121.13 3i36 h ILE 1131Ca 0.23 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3i36 h ILE 1131Cb 0.14 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3i36 h ILE 1131CO -0.03 0.25 0.24 -0.78 0.00 0.00 0.00 178.15 177.83 3i36 h ASP 1132N 1.06 0.56 -0.53 1.72 3.58 -0.59 -0.51 116.42 121.72 3i36 h ASP 1132Ca 0.27 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 3i36 h ASP 1132Cb 0.02 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3i36 h ASP 1132CO -0.05 0.49 0.05 0.03 -2.88 0.00 0.00 179.24 176.89 3i36 h ARG 1133N 0.59 0.90 -0.89 0.28 3.08 -0.61 -2.53 114.38 115.20 3i36 h ARG 1133Ca 0.16 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3i36 h ARG 1133Cb 0.06 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3i36 h ARG 1133CO -0.02 0.90 0.49 -0.07 -1.07 0.00 0.00 179.97 180.19 3i36 h LEU 1134N 0.78 1.11 -0.45 3.04 3.38 -0.23 -1.31 115.31 121.63 3i36 h LEU 1134Ca 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3i36 h LEU 1134Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3i36 h LEU 1134CO 0.02 0.89 0.16 0.40 0.09 0.00 0.00 178.44 180.00 3i36 h ILE 1135N 1.24 1.21 -0.55 1.22 2.04 -0.88 0.13 117.51 121.94 3i36 h ILE 1135Ca 0.31 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3i36 h ILE 1135Cb 0.03 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3i36 h ILE 1135CO -0.05 0.25 0.35 1.88 0.00 0.00 0.00 178.15 180.57 3i36 h TYR 1136N 0.59 0.65 -0.62 1.37 0.05 -1.14 0.12 116.97 117.98 3i36 h TYR 1136Ca 0.15 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 3i36 h TYR 1136Cb 0.23 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3i36 h TYR 1136CO 0.01 0.39 0.19 0.37 -1.05 0.00 0.00 178.16 178.07 3i36 h GLN 1137N 0.69 0.96 -0.08 4.88 4.15 -0.79 0.52 115.11 125.45 3i36 h GLN 1137Ca 0.21 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3i36 h GLN 1137Cb -0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3i36 h GLN 1137CO -0.07 0.85 0.04 0.82 -1.93 0.00 0.00 178.83 178.53 3i36 h ILE 1138N 0.88 1.00 -0.56 2.39 2.04 -0.41 0.34 117.51 123.18 3i36 h ILE 1138Ca 0.20 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 3i36 h ILE 1138Cb 0.29 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3i36 h ILE 1138CO -0.01 0.02 0.11 -0.33 0.00 0.00 0.00 178.15 177.94 3i36 h GLU 1139N 0.08 0.92 0.00 2.37 5.08 -0.31 -1.30 114.58 121.42 3i36 h GLU 1139Ca 0.03 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 3i36 h GLU 1139Cb 0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3i36 h GLU 1139CO -0.02 0.87 -1.50 0.09 -1.00 0.00 0.00 179.01 177.45 3i36 n ASN 1140N -4.36 0.68 0.00 1.42 3.02 0.18 -4.57 115.26 111.63 3i36 n ASN 1140Ca 0.02 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3i36 n ASN 1140Cb 0.25 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 3i36 n ASN 1140CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i36 n GLU 1141N -2.77 2.10 -2.64 3.52 1.02 0.11 -5.01 120.64 116.97 3i36 n GLU 1141Ca -0.09 -0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.80 3i36 n GLU 1141Cb 0.79 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 3i36 n GLU 1141CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i36 n ASN 1142N -0.31 -5.51 -4.04 1.62 3.02 -0.49 -4.94 115.26 104.61 3i36 n ASN 1142Ca 0.00 -0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 3i36 n ASN 1142Cb 0.03 -4.55 -0.09 0.00 -0.61 0.00 0.00 39.78 34.56 3i36 n ASN 1142CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i36 s THR 1143N -3.00 0.19 0.05 3.41 -4.23 -1.24 -0.14 115.64 110.68 3i36 s THR 1143Ca 0.11 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3i36 s THR 1143Cb -0.05 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 3i36 s THR 1143CO 0.14 -0.86 -0.08 0.68 -0.54 0.00 0.00 174.62 173.96 3i36 s VAL 1144N -3.92 0.58 -0.42 2.29 -7.23 0.14 -3.22 120.40 108.62 3i36 s VAL 1144Ca 0.08 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3i36 s VAL 1144Cb 0.07 -0.73 0.17 0.00 0.56 0.00 0.00 36.38 36.45 3i36 s VAL 1144CO -0.09 -0.42 0.41 -0.62 -0.31 0.00 0.00 175.10 174.07 3i36 s ASP 1145N -1.72 0.94 0.13 4.85 -1.08 -1.26 -0.13 116.67 118.40 3i36 s ASP 1145Ca -0.08 -2.51 -0.14 0.00 -0.52 0.00 0.00 52.55 49.31 3i36 s ASP 1145Cb -0.09 0.18 -0.02 0.00 -1.46 0.00 0.00 42.92 41.53 3i36 s ASP 1145CO 0.00 -0.17 1.55 0.58 0.52 0.00 0.00 175.17 177.65 3i36 h VAL 1146N 4.80 1.27 -0.27 1.11 2.07 -1.98 -0.93 116.25 122.31 3i36 h VAL 1146Ca 0.18 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3i36 h VAL 1146Cb 0.98 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3i36 h VAL 1146CO 0.26 0.37 0.05 0.22 0.02 0.00 0.00 177.57 178.49 3i36 h TYR 1147N 0.56 0.07 -0.65 1.57 3.20 -1.93 0.88 116.97 120.67 3i36 h TYR 1147Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3i36 h TYR 1147Cb 0.56 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3i36 h TYR 1147CO 0.04 0.01 0.25 0.78 -1.64 0.00 0.00 178.16 177.61 3i36 h GLY 1148N 0.14 1.03 0.69 1.82 0.00 -1.84 0.18 103.07 105.10 3i36 h GLY 1148Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3i36 h GLY 1148CO -0.18 0.51 -0.03 -2.22 0.00 0.00 0.00 176.54 174.63 3i36 h ILE 1149N 0.94 1.15 -0.60 2.60 2.04 -0.57 -1.32 117.51 121.75 3i36 h ILE 1149Ca 0.22 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 3i36 h ILE 1149Cb 0.20 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3i36 h ILE 1149CO -0.02 0.17 0.02 0.58 0.00 0.00 0.00 178.15 178.91 3i36 h VAL 1150N -0.38 1.26 -0.21 1.67 2.07 -0.54 0.10 116.25 120.22 3i36 h VAL 1150Ca -0.01 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.46 3i36 h VAL 1150Cb 0.34 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3i36 h VAL 1150CO 0.01 0.40 -0.21 0.22 0.02 0.00 0.00 177.57 178.01 3i36 h TYR 1151N 0.95 -0.55 -0.41 1.57 3.20 -0.64 0.25 116.97 121.35 3i36 h TYR 1151Ca 0.18 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.14 3i36 h TYR 1151Cb 0.51 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 3i36 h TYR 1151CO 0.04 -0.29 0.11 0.22 -1.64 0.00 0.00 178.16 176.60 3i36 h ASP 1152N -0.23 0.08 -0.48 -2.11 3.58 -0.49 -0.66 116.42 116.12 3i36 h ASP 1152Ca 0.13 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.69 3i36 h ASP 1152Cb 0.42 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 3i36 h ASP 1152CO -0.34 0.08 0.20 -0.07 -2.88 0.00 0.00 179.24 176.23 3i36 h LEU 1153N 0.25 0.26 -1.93 2.28 3.38 0.05 -1.68 115.31 117.92 3i36 h LEU 1153Ca 0.19 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3i36 h LEU 1153Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i36 h LEU 1153CO -0.23 0.18 -0.10 0.03 0.09 0.00 0.00 178.44 178.41 3i36 h ARG 1154N 0.41 0.00 0.00 1.13 2.47 0.21 0.16 114.38 118.75 3i36 h ARG 1154Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3i36 h ARG 1154Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3i36 h ARG 1154CO -0.19 0.10 0.00 -1.33 0.56 0.00 0.00 179.97 179.11 3i36 n MET 1155N -4.08 0.23 -0.01 0.04 2.81 -0.32 -3.55 117.12 112.23 3i36 n MET 1155Ca -0.02 0.11 0.01 0.00 -1.81 0.00 0.00 57.70 55.98 3i36 n MET 1155Cb 0.19 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 3i36 n MET 1155CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i36 n HIS 1156N -1.33 0.00 -3.60 2.03 8.25 0.43 -4.90 115.22 116.09 3i36 n HIS 1156Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 3i36 n HIS 1156Cb 0.18 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 3i36 n HIS 1156CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3i36 s ARG 1157N -2.28 0.81 0.69 -0.41 3.52 -0.47 -4.37 118.95 116.43 3i36 s ARG 1157Ca -0.02 0.68 -0.16 0.00 -0.13 0.00 0.00 55.73 56.10 3i36 s ARG 1157Cb 0.03 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3i36 s ARG 1157CO 0.20 -0.15 1.21 -1.25 -0.81 0.00 0.00 175.30 174.50 3i36 s PRO 1158N -0.13 2.41 0.00 5.12 0.04 -1.26 -3.82 135.00 137.35 3i36 s PRO 1158Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3i36 s PRO 1158Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3i36 s PRO 1158CO 0.02 -1.63 0.00 1.28 0.04 0.00 0.00 177.00 176.71 3i36 n LEU 1159N -2.38 0.64 -4.67 -3.56 4.77 -1.26 -4.82 117.00 105.72 3i36 n LEU 1159Ca 0.13 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.63 3i36 n LEU 1159Cb 0.50 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.03 3i36 n LEU 1159CO 0.47 -0.54 1.32 0.23 -1.33 0.00 0.00 177.39 177.54 3i36 n MET 1160N -0.95 2.06 -2.49 3.23 2.81 -1.25 -2.16 117.12 118.37 3i36 n MET 1160Ca 0.00 0.75 -0.03 0.00 -1.81 0.00 0.00 57.70 56.61 3i36 n MET 1160Cb 0.22 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 3i36 n MET 1160CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i36 n VAL 1161N 4.22 -9.54 0.33 2.03 0.31 -0.06 -4.76 118.33 110.86 3i36 n VAL 1161Ca 0.20 1.13 0.11 0.00 -0.01 0.00 0.00 64.34 65.78 3i36 n VAL 1161Cb 0.28 -6.42 0.02 0.00 -0.91 0.00 0.00 33.84 26.81 3i36 n VAL 1161CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3i36 n GLN 1162N 0.17 0.45 -4.30 5.55 7.27 -0.92 -4.84 117.38 120.76 3i36 n GLN 1162Ca 0.04 0.04 -0.21 0.00 0.07 0.00 0.00 57.00 56.94 3i36 n GLN 1162Cb 0.15 -1.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.00 3i36 n GLN 1162CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3i36 s THR 1163N -3.29 1.63 0.31 1.69 -4.23 -1.26 -5.03 115.64 105.47 3i36 s THR 1163Ca 0.01 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 3i36 s THR 1163Cb 0.12 -1.71 0.24 0.00 1.34 0.00 0.00 72.50 72.49 3i36 s THR 1163CO 0.80 -0.33 1.95 -0.08 -0.54 0.00 0.00 174.62 176.41 3i36 h GLU 1164N 3.42 0.96 -0.74 3.99 4.81 -1.99 -2.01 114.58 123.01 3i36 h GLU 1164Ca -0.42 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3i36 h GLU 1164Cb 1.20 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 3i36 h GLU 1164CO 0.50 0.68 0.44 -0.44 -0.73 0.00 0.00 179.01 179.46 3i36 h ASP 1165N 0.97 0.70 -0.70 1.04 5.19 -1.99 0.13 116.42 121.76 3i36 h ASP 1165Ca 0.25 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 3i36 h ASP 1165Cb -0.02 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 3i36 h ASP 1165CO -0.05 0.46 0.40 1.56 -3.12 0.00 0.00 179.24 178.49 3i36 h GLN 1166N 0.83 0.97 -0.67 3.56 4.20 -1.79 0.33 115.11 122.54 3i36 h GLN 1166Ca 0.31 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3i36 h GLN 1166Cb 0.12 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3i36 h GLN 1166CO -0.15 0.71 0.28 -0.92 -0.67 0.00 0.00 178.83 178.08 3i36 h TYR 1167N 0.96 1.02 -0.51 2.96 3.20 -0.53 -0.13 116.97 123.95 3i36 h TYR 1167Ca 0.25 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3i36 h TYR 1167Cb 0.01 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3i36 h TYR 1167CO -0.01 0.79 -0.02 0.28 -1.64 0.00 0.00 178.16 177.56 3i36 h VAL 1168N 0.96 1.27 -0.96 1.81 2.07 -0.49 -2.60 116.25 118.30 3i36 h VAL 1168Ca 0.23 -1.12 0.15 0.00 0.82 0.00 0.00 66.70 66.77 3i36 h VAL 1168Cb 0.20 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 3i36 h VAL 1168CO -0.02 0.40 0.61 0.15 0.02 0.00 0.00 177.57 178.72 3i36 h PHE 1169N 0.79 0.99 -0.43 1.57 3.57 0.25 0.46 116.94 124.13 3i36 h PHE 1169Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3i36 h PHE 1169Cb 0.55 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3i36 h PHE 1169CO 0.04 0.33 0.18 -0.07 -2.23 0.00 0.00 178.31 176.57 3i36 h LEU 1170N 0.81 0.59 -0.92 0.59 3.38 -0.68 0.29 115.31 119.37 3i36 h LEU 1170Ca 0.50 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 3i36 h LEU 1170Cb 0.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3i36 h LEU 1170CO -0.27 0.58 0.05 0.78 0.09 0.00 0.00 178.44 179.67 3i36 h ASN 1171N 0.55 0.80 -0.79 -0.43 4.21 -0.72 -0.59 115.58 118.61 3i36 h ASN 1171Ca 0.15 -0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3i36 h ASN 1171Cb 0.17 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.12 3i36 h ASN 1171CO -0.01 0.84 0.50 -0.61 -1.29 0.00 0.00 177.43 176.86 3i36 h GLN 1172N 0.79 1.06 -0.08 0.81 5.75 0.60 -0.22 115.11 123.82 3i36 h GLN 1172Ca 0.16 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3i36 h GLN 1172Cb 0.41 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3i36 h GLN 1172CO 0.01 0.72 -0.12 0.00 -2.65 0.00 0.00 178.83 176.79 3i36 h VAL 1174N -0.17 0.89 -0.39 0.00 2.07 -0.75 0.62 116.25 118.52 3i36 h VAL 1174Ca 0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3i36 h VAL 1174Cb 0.27 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3i36 h VAL 1174CO -0.19 0.09 0.22 0.25 0.02 0.00 0.00 177.57 177.96 3i36 h LEU 1175N 0.47 0.49 -0.77 2.57 5.85 -0.43 -0.52 115.31 122.97 3i36 h LEU 1175Ca 0.25 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3i36 h LEU 1175Cb 0.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3i36 h LEU 1175CO -0.21 0.43 0.05 0.44 -0.34 0.00 0.00 178.44 178.81 3i36 h ASP 1176N 0.51 0.95 -0.15 1.25 3.32 -0.17 0.15 116.42 122.27 3i36 h ASP 1176Ca 0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3i36 h ASP 1176Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3i36 h ASP 1176CO -0.02 0.98 0.03 0.40 -1.72 0.00 0.00 179.24 178.91 3i36 h ILE 1177N 0.92 1.20 -0.06 0.35 2.04 -0.60 0.25 117.51 121.62 3i36 h ILE 1177Ca 0.18 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i36 h ILE 1177Cb 0.46 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3i36 h ILE 1177CO 0.02 0.19 0.04 0.40 0.00 0.00 0.00 178.15 178.80 3i36 h ILE 1178N 0.05 1.02 -0.54 -0.67 2.04 -0.90 -1.70 117.51 116.80 3i36 h ILE 1178Ca 0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3i36 h ILE 1178Cb 0.27 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3i36 h ILE 1178CO 0.00 0.02 0.33 0.03 0.00 0.00 0.00 178.15 178.53 3i36 h ARG 1179N 0.09 0.73 0.00 2.37 3.08 -0.62 -1.45 114.38 118.57 3i36 h ARG 1179Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i36 h ARG 1179Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3i36 h ARG 1179CO -0.01 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 3i36 n ALA 1180N -2.45 2.61 -2.37 0.04 0.00 0.88 -3.90 120.51 115.30 3i36 n ALA 1180Ca 0.05 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 3i36 n ALA 1180Cb 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3i36 n ALA 1180CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i36 n GLN 1181N -1.08 3.31 0.00 0.00 6.02 -0.55 -5.04 117.38 120.05 3i36 n GLN 1181Ca 0.21 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 3i36 n GLN 1181Cb 0.14 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.27 3i36 n GLN 1181CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41