#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv3 n THR 901 N 0.00 -0.20 0.14 6.31 5.66 -1.26 0.25 114.28 125.17 3mv3 n THR 901 Ca 0.00 0.98 -0.14 0.00 -3.05 0.00 0.00 64.05 61.85 3mv3 n THR 901 Cb 0.00 -1.60 -0.08 0.00 -1.55 0.00 0.00 70.33 67.10 3mv3 n THR 901 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mv3 h ALA 902 N 0.97 -0.31 -1.12 1.79 0.00 -2.00 -2.31 119.26 116.29 3mv3 h ALA 902 Ca 0.41 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.53 3mv3 h ALA 902 Cb 1.09 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3mv3 h ALA 902 CO -0.37 -0.61 0.79 0.82 0.00 0.00 0.00 179.25 179.88 3mv3 h ILE 903 N -0.43 0.45 0.02 0.00 2.04 -0.59 0.43 117.51 119.42 3mv3 h ILE 903 Ca -0.03 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3mv3 h ILE 903 Cb 0.33 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3mv3 h ILE 903 CO 0.05 0.01 -0.01 -0.50 0.00 0.00 0.00 178.15 177.70 3mv3 h TRP 904 N 0.04 -0.02 -0.96 1.37 4.06 -1.39 -0.32 115.95 118.73 3mv3 h TRP 904 Ca 0.54 -0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.75 3mv3 h TRP 904 Cb 2.08 0.01 -0.13 0.00 -1.00 0.00 0.00 29.16 30.12 3mv3 h TRP 904 CO -0.00 -0.01 0.50 0.82 -3.56 0.00 0.00 178.44 176.18 3mv3 h ILE 905 N -0.03 0.44 -0.80 1.49 2.04 -1.02 0.70 117.51 120.34 3mv3 h ILE 905 Ca -0.00 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3mv3 h ILE 905 Cb 0.02 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.03 3mv3 h ILE 905 CO 0.00 0.08 0.33 0.50 0.00 0.00 0.00 178.15 179.06 3mv3 h LYS 906 N 0.43 1.18 0.00 2.37 3.64 -0.20 -3.10 116.57 120.89 3mv3 h LYS 906 Ca 0.63 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.67 3mv3 h LYS 906 Cb 1.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3mv3 h LYS 906 CO -0.54 0.95 -0.64 -0.91 -2.27 0.00 0.00 179.45 176.04 3mv3 h ASN 907 N 1.15 0.00 -3.25 4.20 2.35 0.21 -3.46 115.58 116.78 3mv3 h ASN 907 Ca 0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3mv3 h ASN 907 Cb 0.20 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.34 3mv3 h ASN 907 CO -0.02 0.64 -0.11 -0.55 -1.65 0.00 0.00 177.43 175.74 3mv3 s SER 908 N -6.58 -0.73 -0.44 5.81 0.15 0.47 -5.04 113.70 107.33 3mv3 s SER 908 Ca 0.01 1.23 0.04 0.00 0.70 0.00 0.00 55.95 57.93 3mv3 s SER 908 Cb 0.10 1.13 0.60 0.00 -1.71 0.00 0.00 66.02 66.14 3mv3 s SER 908 CO 0.76 -0.22 1.82 0.29 1.20 0.00 0.00 173.24 177.10 3mv3 n LYS 909 N 4.02 2.26 -3.75 5.44 4.01 -1.26 -4.20 118.16 124.68 3mv3 n LYS 909 Ca -0.20 -3.12 -0.28 0.00 -0.51 0.00 0.00 58.31 54.20 3mv3 n LYS 909 Cb 0.57 -2.12 -0.03 0.00 -0.51 0.00 0.00 35.03 32.93 3mv3 n LYS 909 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 3mv3 s LEU 910 N -3.37 4.26 0.00 -0.35 0.05 -1.26 -4.84 118.68 113.16 3mv3 s LEU 910 Ca 0.55 0.38 0.00 0.00 0.05 0.00 0.00 54.13 55.12 3mv3 s LEU 910 Cb 0.47 -3.13 0.00 0.00 -2.05 0.00 0.00 46.19 41.48 3mv3 s LEU 910 CO 0.07 0.00 0.34 -2.65 -0.55 0.00 0.00 176.35 173.56 3mv3 n PRO 911 N -0.46 0.00 -0.07 1.48 -0.02 -1.26 -0.42 135.00 134.25 3mv3 n PRO 911 Ca -0.05 0.34 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3mv3 n PRO 911 Cb 0.53 -0.52 -0.02 0.00 -0.02 0.00 0.00 33.50 33.48 3mv3 n PRO 911 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mv3 h ALA 912 N -0.38 -0.12 -0.94 3.55 0.00 -1.82 0.31 119.26 119.86 3mv3 h ALA 912 Ca 0.00 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.12 3mv3 h ALA 912 Cb 0.00 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3mv3 h ALA 912 CO 0.00 -0.19 0.60 0.28 0.00 0.00 0.00 179.25 179.94 3mv3 h VAL 913 N -0.01 0.71 0.59 0.00 2.07 -1.33 0.31 116.25 118.60 3mv3 h VAL 913 Ca 0.03 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3mv3 h VAL 913 Cb 0.07 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3mv3 h VAL 913 CO -0.16 0.10 -0.28 -0.07 0.02 0.00 0.00 177.57 177.18 3mv3 h LEU 914 N 0.57 -0.67 -0.49 2.57 3.38 0.18 0.30 115.31 121.16 3mv3 h LEU 914 Ca 0.50 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.54 3mv3 h LEU 914 Cb 1.01 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 3mv3 h LEU 914 CO -0.25 -0.35 -0.15 0.58 0.09 0.00 0.00 178.44 178.36 3mv3 h VAL 915 N -0.99 0.46 -0.39 1.22 2.07 0.14 -0.78 116.25 117.99 3mv3 h VAL 915 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3mv3 h VAL 915 Cb 0.66 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3mv3 h VAL 915 CO 0.13 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.77 3mv3 h ALA 916 N 1.41 0.39 0.00 1.67 0.00 -0.34 -0.93 119.26 121.46 3mv3 h ALA 916 Ca 0.23 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mv3 h ALA 916 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mv3 h ALA 916 CO -0.52 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.38 3mv3 n ALA 917 N -2.48 2.18 -0.26 0.00 0.00 0.10 -4.77 120.51 115.29 3mv3 n ALA 917 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3mv3 n ALA 917 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3mv3 n ALA 917 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mv3 n GLY 918 N 0.32 0.68 3.46 0.00 0.00 -0.35 -4.97 105.19 104.32 3mv3 n GLY 918 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3mv3 n GLY 918 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mv3 s ALA 919 N -2.41 4.02 0.14 4.61 0.00 -0.71 -4.82 121.76 122.58 3mv3 s ALA 919 Ca 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 51.96 48.52 3mv3 s ALA 919 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 3mv3 s ALA 919 CO 0.00 -2.75 1.37 0.74 0.00 0.00 0.00 175.76 175.13 3mv3 h PHE 920 N 7.19 0.81 -0.00 0.00 -1.00 -1.88 -1.73 116.94 120.32 3mv3 h PHE 920 Ca 0.30 -0.35 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 3mv3 h PHE 920 Cb 0.88 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 3mv3 h PHE 920 CO 1.09 1.15 0.00 0.22 -1.61 0.00 0.00 178.31 179.15 3mv3 h ASP 921 N 0.41 0.00 -0.87 2.17 1.82 -1.98 0.46 116.42 118.44 3mv3 h ASP 921 Ca -0.04 -0.20 0.17 0.00 -0.39 0.00 0.00 57.03 56.57 3mv3 h ASP 921 Cb 1.35 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.29 3mv3 h ASP 921 CO 0.14 0.20 0.57 0.00 -1.61 0.00 0.00 179.24 178.54 3mv3 h ALA 922 N 0.80 2.03 -0.04 -0.78 0.00 -1.95 -0.66 119.26 118.65 3mv3 h ALA 922 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3mv3 h ALA 922 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3mv3 h ALA 922 CO -0.00 -0.28 -0.45 0.00 0.00 0.00 0.00 179.25 178.53 3mv3 h ALA 923 N 1.62 0.11 -0.57 0.00 0.00 -0.87 -2.57 119.26 116.98 3mv3 h ALA 923 Ca 0.44 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mv3 h ALA 923 Cb 0.92 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3mv3 h ALA 923 CO -0.18 0.27 0.35 0.28 0.00 0.00 0.00 179.25 179.97 3mv3 h VAL 924 N -0.13 1.08 0.26 0.00 2.07 -0.00 -2.38 116.25 117.15 3mv3 h VAL 924 Ca -0.04 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3mv3 h VAL 924 Cb 1.13 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3mv3 h VAL 924 CO 0.09 0.13 -0.37 1.56 0.02 0.00 0.00 177.57 179.00 3mv3 h GLN 925 N 0.69 -0.66 -0.99 1.57 4.20 -1.18 -2.41 115.11 116.33 3mv3 h GLN 925 Ca 0.22 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.18 3mv3 h GLN 925 Cb 0.00 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 27.82 3mv3 h GLN 925 CO -0.09 -0.44 0.58 0.00 -0.67 0.00 0.00 178.83 178.21 3mv3 h ALA 926 N -0.19 1.66 0.00 3.87 0.00 -1.17 -0.86 119.26 122.58 3mv3 h ALA 926 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3mv3 h ALA 926 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mv3 h ALA 926 CO -0.13 -0.13 0.00 -0.07 0.00 0.00 0.00 179.25 178.92 3mv3 h LEU 927 N 0.68 0.00 0.04 0.00 3.38 -0.95 -1.39 115.31 117.07 3mv3 h LEU 927 Ca 0.59 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.43 3mv3 h LEU 927 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 3mv3 h LEU 927 CO -0.42 0.00 -0.54 0.28 0.09 0.00 0.00 178.44 177.85 3mv3 h SER 928 N 0.00 0.41 0.50 -0.43 0.02 -0.85 0.51 113.55 113.71 3mv3 h SER 928 Ca 0.00 -0.83 -0.09 0.00 -0.84 0.00 0.00 61.79 60.03 3mv3 h SER 928 Cb 0.62 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3mv3 h SER 928 CO 0.00 1.20 -0.41 0.11 -1.14 0.00 0.00 176.83 176.59 3mv3 h LYS 929 N -0.32 0.00 0.00 3.45 1.57 -1.34 0.85 116.57 120.78 3mv3 h LYS 929 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3mv3 h LYS 929 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3mv3 h LYS 929 CO 0.10 0.41 -1.38 1.04 -0.57 0.00 0.00 179.45 179.05 3mv3 n GLN 930 N -3.91 0.98 0.00 3.15 6.02 -0.54 0.40 117.38 123.48 3mv3 n GLN 930 Ca -0.01 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3mv3 n GLN 930 Cb 0.45 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3mv3 n GLN 930 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3mv3 n VAL 931 N -1.82 0.00 -3.78 5.09 0.31 -0.83 -1.67 118.33 115.64 3mv3 n VAL 931 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 3mv3 n VAL 931 Cb 0.34 1.03 0.02 0.00 -0.91 0.00 0.00 33.84 34.31 3mv3 n VAL 931 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mv3 n GLY 932 N 0.00 -0.41 3.78 2.92 0.00 0.29 -4.16 105.19 107.61 3mv3 n GLY 932 Ca 0.00 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3mv3 n GLY 932 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mv3 s VAL 933 N -3.74 4.10 0.00 1.61 1.01 -0.07 -1.43 120.40 121.88 3mv3 s VAL 933 Ca 0.10 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3mv3 s VAL 933 Cb -0.03 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3mv3 s VAL 933 CO 0.85 0.12 0.00 0.52 0.00 0.00 0.00 175.10 176.59 3mv3 n VAL 934 N 0.47 0.00 -3.24 2.92 0.31 -0.62 -4.24 118.33 113.93 3mv3 n VAL 934 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3mv3 n VAL 934 Cb 0.50 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 33.34 3mv3 n VAL 934 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3mv3 s LYS 935 N -1.01 3.15 0.17 5.55 2.20 -0.83 -4.93 119.74 124.04 3mv3 s LYS 935 Ca 0.00 -0.66 0.26 0.00 -0.36 0.00 0.00 55.97 55.21 3mv3 s LYS 935 Cb 0.00 -3.98 0.71 0.00 -1.51 0.00 0.00 37.83 33.05 3mv3 s LYS 935 CO 0.00 -0.94 1.66 1.28 -0.36 0.00 0.00 175.35 176.99 3mv3 n LEU 936 N 5.87 0.73 0.21 5.43 4.77 -1.26 -4.52 117.00 128.23 3mv3 n LEU 936 Ca -0.05 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.23 3mv3 n LEU 936 Cb 0.47 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3mv3 n LEU 936 CO 0.49 -0.13 0.57 -0.33 -1.33 0.00 0.00 177.39 176.67 3mv3 h GLU 937 N 0.00 -0.79 -0.25 3.23 5.08 -1.98 -2.16 114.58 117.70 3mv3 h GLU 937 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mv3 h GLU 937 Cb 0.72 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3mv3 h GLU 937 CO 0.00 -0.53 0.00 -0.35 -1.00 0.00 0.00 179.01 177.13 3mv3 n PRO 938 N -5.51 0.70 -0.09 2.33 -0.04 -1.26 -2.16 135.00 128.97 3mv3 n PRO 938 Ca -0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 3mv3 n PRO 938 Cb 0.41 -1.13 0.10 0.00 -0.04 0.00 0.00 33.50 32.85 3mv3 n PRO 938 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3mv3 n LEU 939 N -0.27 2.43 0.30 1.53 7.94 -0.82 -4.73 117.00 123.39 3mv3 n LEU 939 Ca 0.00 -1.55 -0.15 0.00 -1.11 0.00 0.00 56.01 53.21 3mv3 n LEU 939 Cb 0.06 -0.12 -0.08 0.00 0.53 0.00 0.00 43.42 43.82 3mv3 n LEU 939 CO 0.00 0.56 0.47 0.50 -1.11 0.00 0.00 177.39 177.81 3mv3 h LYS 940 N 2.00 -0.76 0.00 1.96 3.64 -1.43 -3.14 116.57 118.84 3mv3 h LYS 940 Ca 0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3mv3 h LYS 940 Cb 0.59 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3mv3 h LYS 940 CO 0.00 -0.45 -0.00 1.57 -2.27 0.00 0.00 179.45 178.30 3mv3 h LYS 941 N -1.05 0.00 -0.00 1.90 2.10 -1.84 -1.28 116.57 116.39 3mv3 h LYS 941 Ca -0.08 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.38 3mv3 h LYS 941 Cb 0.66 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 3mv3 h LYS 941 CO 0.13 0.00 -0.84 1.88 -2.00 0.00 0.00 179.45 178.63 3mv3 h TYR 942 N 0.00 0.24 -0.11 0.07 -1.99 -1.86 0.11 116.97 113.44 3mv3 h TYR 942 Ca -0.00 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 3mv3 h TYR 942 Cb 0.03 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3mv3 h TYR 942 CO 0.00 0.92 -0.12 0.74 -0.00 0.00 0.00 178.16 179.71 3mv3 h PHE 943 N 0.09 0.32 -0.09 4.88 -1.00 -1.21 -0.93 116.94 119.01 3mv3 h PHE 943 Ca -0.03 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.69 3mv3 h PHE 943 Cb 1.45 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.89 3mv3 h PHE 943 CO 0.02 0.70 -0.33 1.15 -1.61 0.00 0.00 178.31 178.23 3mv3 h THR 944 N -0.14 0.27 -0.81 -1.55 2.02 -1.35 0.24 112.91 111.58 3mv3 h THR 944 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3mv3 h THR 944 Cb 0.65 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3mv3 h THR 944 CO 0.03 0.00 0.52 0.78 0.37 0.00 0.00 175.52 177.21 3mv3 h ASN 945 N -0.44 0.95 0.41 4.18 4.21 -0.73 0.10 115.58 124.26 3mv3 h ASN 945 Ca 0.08 -0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 3mv3 h ASN 945 Cb 0.56 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3mv3 h ASN 945 CO -0.33 0.71 -0.20 0.40 -1.29 0.00 0.00 177.43 176.72 3mv3 h ILE 946 N 1.11 0.52 -0.13 2.81 2.04 -0.50 -0.87 117.51 122.49 3mv3 h ILE 946 Ca 0.29 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3mv3 h ILE 946 Cb -0.09 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3mv3 h ILE 946 CO -0.06 0.08 -0.37 0.22 0.00 0.00 0.00 178.15 178.02 3mv3 h TYR 947 N -0.86 -1.03 -0.02 1.37 3.20 -0.20 -2.60 116.97 116.83 3mv3 h TYR 947 Ca -0.06 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3mv3 h TYR 947 Cb 0.55 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3mv3 h TYR 947 CO 0.01 -0.44 -0.48 0.93 -1.64 0.00 0.00 178.16 176.55 3mv3 h GLU 948 N -0.45 0.06 0.00 1.82 5.08 -0.89 -3.29 114.58 116.91 3mv3 h GLU 948 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3mv3 h GLU 948 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3mv3 h GLU 948 CO -0.37 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 3mv3 n GLY 949 N -0.13 -0.27 0.00 -3.84 0.00 -0.33 -2.43 105.19 98.19 3mv3 n GLY 949 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mv3 n GLY 949 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mv3 s ARG 951 N -0.19 2.38 0.11 0.00 0.52 -1.02 0.13 118.95 120.88 3mv3 s ARG 951 Ca 0.00 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3mv3 s ARG 951 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3mv3 s ARG 951 CO 0.00 0.27 -0.08 -0.08 0.02 0.00 0.00 175.30 175.43 3mv3 s THR 952 N 0.07 0.85 -0.07 0.02 -1.32 -0.76 -4.96 115.64 109.47 3mv3 s THR 952 Ca -0.08 -1.88 0.05 0.00 -1.21 0.00 0.00 61.69 58.58 3mv3 s THR 952 Cb -0.14 -1.62 -0.01 0.00 -1.51 0.00 0.00 72.50 69.22 3mv3 s THR 952 CO 0.04 -0.77 -0.23 -0.31 -2.21 0.00 0.00 174.62 171.15 3mv3 s TYR 953 N -3.24 2.50 0.05 9.09 1.51 -1.26 -1.72 117.35 124.28 3mv3 s TYR 953 Ca 0.11 -0.70 -0.03 0.00 -1.01 0.00 0.00 57.07 55.45 3mv3 s TYR 953 Cb 0.02 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 3mv3 s TYR 953 CO -0.02 -0.20 0.24 -1.50 -1.11 0.00 0.00 175.55 172.96 3mv3 s ILE 954 N -0.13 5.35 0.36 2.71 -1.16 -0.50 -4.90 121.20 122.93 3mv3 s ILE 954 Ca -0.04 -0.15 -0.16 0.00 -0.51 0.00 0.00 60.65 59.78 3mv3 s ILE 954 Cb -0.14 -3.59 -0.09 0.00 0.61 0.00 0.00 42.46 39.24 3mv3 s ILE 954 CO 0.04 0.21 0.80 -2.16 -2.81 0.00 0.00 174.94 171.02 3mv3 s PRO 955 N -2.24 4.03 -0.55 3.50 0.04 -1.26 -1.30 135.00 137.22 3mv3 s PRO 955 Ca 0.33 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 3mv3 s PRO 955 Cb -0.13 -2.35 0.14 0.00 0.04 0.00 0.00 34.50 32.20 3mv3 s PRO 955 CO 0.23 0.08 0.46 -1.54 0.04 0.00 0.00 177.00 176.27 3mv3 s SER 956 N -2.36 5.99 0.00 6.66 1.04 -1.26 -4.84 113.70 118.93 3mv3 s SER 956 Ca 0.56 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 54.97 3mv3 s SER 956 Cb -0.10 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.92 3mv3 s SER 956 CO 0.18 -0.72 0.00 0.41 0.98 0.00 0.00 173.24 174.09 3mv3 n THR 957 N 4.84 0.00 -1.94 2.02 -1.04 -1.26 -3.00 114.28 113.90 3mv3 n THR 957 Ca -0.07 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 3mv3 n THR 957 Cb 0.41 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.86 3mv3 n THR 957 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3mv3 s PRO 958 N 0.00 2.28 0.10 -2.82 0.04 -1.26 -4.73 135.00 128.60 3mv3 s PRO 958 Ca 0.00 -0.41 0.02 0.00 0.04 0.00 0.00 61.00 60.65 3mv3 s PRO 958 Cb 0.00 -5.06 0.26 0.00 0.04 0.00 0.00 34.50 29.74 3mv3 s PRO 958 CO 0.00 -3.88 0.47 0.00 0.04 0.00 0.00 177.00 173.63 3mv3 n GLU 960 N -4.10 0.93 -4.33 0.00 -0.00 -1.26 -4.58 120.64 107.29 3mv3 n GLU 960 Ca 0.08 -0.15 -0.18 0.00 -0.00 0.00 0.00 57.16 56.91 3mv3 n GLU 960 Cb 0.26 -1.26 -0.15 0.00 -0.00 0.00 0.00 31.44 30.29 3mv3 n GLU 960 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3mv3 s LEU 961 N 0.00 2.02 0.22 -1.84 0.20 -0.24 -5.11 118.68 113.93 3mv3 s LEU 961 Ca 0.10 -0.15 -0.30 0.00 0.69 0.00 0.00 54.13 54.47 3mv3 s LEU 961 Cb 0.05 -0.43 -0.15 0.00 -0.43 0.00 0.00 46.19 45.23 3mv3 s LEU 961 CO 0.00 0.10 1.03 -0.81 -0.29 0.00 0.00 176.35 176.38 3mv3 n PRO 962 N 2.87 1.11 -0.39 0.98 -0.04 -1.26 -4.57 135.00 133.70 3mv3 n PRO 962 Ca -0.13 0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 63.43 3mv3 n PRO 962 Cb 0.57 -1.78 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 3mv3 n PRO 962 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mv3 s ALA 963 N -0.65 -0.84 -0.08 0.55 0.00 -1.26 -4.60 121.76 114.88 3mv3 s ALA 963 Ca 0.66 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3mv3 s ALA 963 Cb -0.80 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 3mv3 s ALA 963 CO 0.56 -4.33 -0.13 -0.65 0.00 0.00 0.00 175.76 171.21 3mv3 s GLN 964 N -4.65 2.84 0.45 0.00 -0.21 -0.42 -4.91 119.66 112.76 3mv3 s GLN 964 Ca 0.69 -0.68 -0.22 0.00 0.02 0.00 0.00 55.36 55.17 3mv3 s GLN 964 Cb -0.21 -2.49 -0.08 0.00 1.00 0.00 0.00 33.01 31.23 3mv3 s GLN 964 CO 0.63 0.48 1.06 -1.17 -2.12 0.00 0.00 175.29 174.17 3mv3 s LEU 965 N -0.35 4.00 -0.09 2.90 2.96 -1.26 -1.41 118.68 125.42 3mv3 s LEU 965 Ca 0.04 2.04 -0.08 0.00 -0.22 0.00 0.00 54.13 55.91 3mv3 s LEU 965 Cb -0.12 -4.35 0.02 0.00 0.50 0.00 0.00 46.19 42.24 3mv3 s LEU 965 CO 0.02 -0.69 0.23 -0.83 -1.32 0.00 0.00 176.35 173.76 3mv3 s GLY 966 N -1.70 -0.17 -0.07 7.98 0.00 -0.70 -4.89 107.32 107.77 3mv3 s GLY 966 Ca 0.63 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.96 3mv3 s GLY 966 CO 0.26 0.56 0.08 -0.19 0.00 0.00 0.00 173.10 173.81 3mv3 s TYR 967 N 0.14 3.37 -0.48 1.90 1.51 -1.26 -1.82 117.35 120.70 3mv3 s TYR 967 Ca -0.00 0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 56.24 3mv3 s TYR 967 Cb -0.02 -1.83 0.09 0.00 -0.11 0.00 0.00 41.96 40.09 3mv3 s TYR 967 CO 0.00 0.60 0.40 0.08 -1.11 0.00 0.00 175.55 175.52 3mv3 s VAL 968 N -1.04 5.10 0.50 0.71 1.01 0.34 -4.99 120.40 122.04 3mv3 s VAL 968 Ca 0.17 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3mv3 s VAL 968 Cb -0.12 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.07 3mv3 s VAL 968 CO 0.07 -0.64 0.99 -0.13 0.00 0.00 0.00 175.10 175.39 3mv3 s ARG 969 N 1.60 3.95 0.00 2.72 0.52 -1.26 -1.19 118.95 125.30 3mv3 s ARG 969 Ca 0.04 1.04 0.22 0.00 -0.52 0.00 0.00 55.73 56.51 3mv3 s ARG 969 Cb -0.25 -2.13 1.28 0.00 0.52 0.00 0.00 34.95 34.36 3mv3 s ARG 969 CO 0.05 -0.27 1.83 0.00 0.02 0.00 0.00 175.30 176.93 3mv3 n ALA 970 N -1.36 2.62 -3.22 2.13 0.00 0.16 -4.54 120.51 116.30 3mv3 n ALA 970 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3mv3 n ALA 970 Cb 0.54 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 3mv3 n ALA 970 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3mv3 s TYR 971 N -1.98 -0.19 0.19 0.00 1.51 -1.26 -5.00 117.35 110.61 3mv3 s TYR 971 Ca 0.33 0.26 -0.17 0.00 -1.01 0.00 0.00 57.07 56.49 3mv3 s TYR 971 Cb 0.16 0.11 -0.08 0.00 -0.11 0.00 0.00 41.96 42.04 3mv3 s TYR 971 CO 0.26 -0.42 0.64 0.16 -1.11 0.00 0.00 175.55 175.08 3mv3 s ASP 972 N -1.44 6.92 0.00 2.29 -4.77 -1.26 -4.94 116.67 113.47 3mv3 s ASP 972 Ca -0.12 1.24 0.00 0.00 -3.30 0.00 0.00 52.55 50.37 3mv3 s ASP 972 Cb -0.04 -2.35 0.00 0.00 -1.09 0.00 0.00 42.92 39.44 3mv3 s ASP 972 CO 0.03 0.05 0.00 0.47 0.70 0.00 0.00 175.17 176.42 3mv3 n ASP 973 N 0.67 0.00 -4.57 2.11 8.00 -1.26 -3.89 116.55 117.61 3mv3 n ASP 973 Ca -0.03 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 3mv3 n ASP 973 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 3mv3 n ASP 973 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mv3 s THR 974 N 0.00 3.78 -0.07 -3.53 2.01 -1.26 -4.91 115.64 111.65 3mv3 s THR 974 Ca 0.00 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 60.51 3mv3 s THR 974 Cb 0.00 -4.78 0.08 0.00 0.01 0.00 0.00 72.50 67.81 3mv3 s THR 974 CO 0.00 -1.47 0.75 -0.69 -0.69 0.00 0.00 174.62 172.52 3mv3 s VAL 975 N 7.77 0.00 -0.38 3.82 1.01 -1.25 -5.08 120.40 126.29 3mv3 s VAL 975 Ca 0.61 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 62.25 3mv3 s VAL 975 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 36.38 35.24 3mv3 s VAL 975 CO 0.07 0.00 1.62 -1.20 0.00 0.00 0.00 175.10 175.59 3mv3 n SER 976 N 0.87 0.57 -0.11 3.32 7.64 -1.26 -4.49 113.62 120.17 3mv3 n SER 976 Ca -0.17 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3mv3 n SER 976 Cb 0.57 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3mv3 n SER 976 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mv3 n GLU 977 N 5.66 0.00 0.00 1.43 1.02 -1.26 -0.55 120.64 126.94 3mv3 n GLU 977 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3mv3 n GLU 977 Cb -0.03 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3mv3 n GLU 977 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3mv3 n ASP 978 N -0.23 0.00 -3.27 1.62 8.00 -1.26 -4.73 116.55 116.68 3mv3 n ASP 978 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3mv3 n ASP 978 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3mv3 n ASP 978 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3mv3 n GLN 979 N -1.63 0.00 -3.72 -1.24 7.27 0.29 -4.74 117.38 113.61 3mv3 n GLN 979 Ca 0.00 -0.01 -0.37 0.00 0.07 0.00 0.00 57.00 56.68 3mv3 n GLN 979 Cb 0.00 -0.84 -0.12 0.00 2.41 0.00 0.00 30.24 31.69 3mv3 n GLN 979 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3mv3 s ILE 980 N 0.76 4.41 0.05 1.69 1.01 -1.26 -4.77 121.20 123.10 3mv3 s ILE 980 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3mv3 s ILE 980 Cb 0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3mv3 s ILE 980 CO 0.00 0.22 0.06 -0.76 0.00 0.00 0.00 174.94 174.46 3mv3 s LEU 981 N 1.61 2.00 0.93 2.97 1.43 -1.26 -4.46 118.68 121.90 3mv3 s LEU 981 Ca 0.05 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 3mv3 s LEU 981 Cb -0.16 0.53 0.15 0.00 0.03 0.00 0.00 46.19 46.74 3mv3 s LEU 981 CO 0.05 -0.59 1.10 -2.16 0.23 0.00 0.00 176.35 174.98 3mv3 s PRO 982 N -3.39 0.94 0.23 1.29 0.04 -1.26 0.37 135.00 133.21 3mv3 s PRO 982 Ca 0.02 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 3mv3 s PRO 982 Cb 0.04 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.75 3mv3 s PRO 982 CO -0.08 -2.58 0.68 -0.47 0.04 0.00 0.00 177.00 174.59 3mv3 s TYR 983 N -2.72 3.56 -0.15 0.56 5.04 -0.33 -3.64 117.35 119.67 3mv3 s TYR 983 Ca 0.65 1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 56.45 3mv3 s TYR 983 Cb -0.21 -2.52 0.05 0.00 0.35 0.00 0.00 41.96 39.63 3mv3 s TYR 983 CO 0.59 0.30 0.36 0.08 -1.34 0.00 0.00 175.55 175.53 3mv3 s VAL 984 N -1.63 -0.03 0.00 3.14 1.01 -1.26 -4.62 120.40 117.00 3mv3 s VAL 984 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3mv3 s VAL 984 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3mv3 s VAL 984 CO 0.20 0.05 0.00 -2.65 0.00 0.00 0.00 175.10 172.69 3mv3 n PRO 985 N 4.26 0.00 0.00 2.72 -0.02 -1.26 -4.94 135.00 135.76 3mv3 n PRO 985 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 3mv3 n PRO 985 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3mv3 n PRO 985 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mv3 n GLY 986 N -0.63 0.08 0.22 -1.23 0.00 -1.26 -4.55 105.19 97.83 3mv3 n GLY 986 Ca 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.27 3mv3 n GLY 986 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mv3 h LEU 987 N 0.00 0.00 -0.60 0.99 4.07 -1.98 -2.72 115.31 115.06 3mv3 h LEU 987 Ca 0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 3mv3 h LEU 987 Cb 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.64 3mv3 h LEU 987 CO 0.00 0.20 -0.24 -0.67 -1.08 0.00 0.00 178.44 176.65 3mv3 n ASP 988 N -4.21 -0.40 -0.06 -0.43 2.03 -1.26 0.21 116.55 112.43 3mv3 n ASP 988 Ca -0.02 1.05 -0.12 0.00 0.52 0.00 0.00 54.79 56.22 3mv3 n ASP 988 Cb 0.26 -0.24 -0.11 0.00 -0.72 0.00 0.00 41.12 40.31 3mv3 n ASP 988 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3mv3 h VAL 989 N 0.00 1.50 -0.94 5.18 2.07 -1.73 -2.88 116.25 119.45 3mv3 h VAL 989 Ca 0.21 -2.04 0.31 0.00 0.82 0.00 0.00 66.70 66.00 3mv3 h VAL 989 Cb 0.36 2.79 -0.17 0.00 -1.52 0.00 0.00 31.29 32.74 3mv3 h VAL 989 CO -0.60 0.49 0.21 0.52 0.02 0.00 0.00 177.57 178.22 3mv3 n VAL 990 N -4.66 -0.39 0.41 2.57 0.31 0.31 0.16 118.33 117.03 3mv3 n VAL 990 Ca -0.09 2.00 -0.16 0.00 -0.01 0.00 0.00 64.34 66.08 3mv3 n VAL 990 Cb 0.39 -3.05 -0.08 0.00 -0.91 0.00 0.00 33.84 30.20 3mv3 n VAL 990 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3mv3 h ASN 991 N 0.00 -0.90 -0.87 4.52 -0.73 -0.31 -3.03 115.58 114.25 3mv3 h ASN 991 Ca 0.66 0.03 0.13 0.00 1.87 0.00 0.00 56.30 58.99 3mv3 h ASN 991 Cb 1.55 0.23 -0.14 0.00 0.27 0.00 0.00 38.32 40.23 3mv3 h ASN 991 CO -0.82 -0.57 -0.36 -0.62 -0.37 0.00 0.00 177.43 174.70 3mv3 n GLU 992 N -5.29 -0.22 -0.00 6.67 1.02 0.41 -1.08 120.64 122.15 3mv3 n GLU 992 Ca -0.13 1.33 0.00 0.00 -0.02 0.00 0.00 57.16 58.34 3mv3 n GLU 992 Cb 0.42 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3mv3 n GLU 992 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3mv3 n LYS 993 N -5.26 0.06 0.00 3.49 4.01 0.78 -2.77 118.16 118.47 3mv3 n LYS 993 Ca 0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3mv3 n LYS 993 Cb 0.34 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 3mv3 n LYS 993 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3mv3 n ASN 995 N 1.07 0.00 0.10 4.39 4.13 -0.24 -2.53 115.26 122.18 3mv3 n ASN 995 Ca 0.00 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.39 3mv3 n ASN 995 Cb 0.03 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 38.91 3mv3 n ASN 995 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3mv3 h GLU 996 N 0.00 0.06 -0.20 3.52 5.08 -1.79 0.57 114.58 121.82 3mv3 h GLU 996 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mv3 h GLU 996 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3mv3 h GLU 996 CO 0.00 0.04 0.08 0.78 -1.00 0.00 0.00 179.01 178.92 3mv3 h GLY 997 N 0.07 0.32 0.99 -3.84 0.00 -1.77 0.84 103.07 99.67 3mv3 h GLY 997 Ca 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3mv3 h GLY 997 CO -0.01 0.16 0.14 -0.97 0.00 0.00 0.00 176.54 175.86 3mv3 h TYR 998 N 0.17 0.88 0.19 5.60 -1.99 -1.20 0.31 116.97 120.93 3mv3 h TYR 998 Ca 0.07 -0.10 0.01 0.00 2.00 0.00 0.00 58.73 60.71 3mv3 h TYR 998 Cb 0.16 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 3mv3 h TYR 998 CO -0.01 0.77 -0.47 -0.22 -0.00 0.00 0.00 178.16 178.22 3mv3 h LYS 999 N 0.74 -0.72 0.00 4.88 3.64 0.35 -1.24 116.57 124.22 3mv3 h LYS 999 Ca 0.17 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3mv3 h LYS 999 Cb 0.32 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3mv3 h LYS 999 CO -0.00 -0.48 -0.14 -0.91 -2.27 0.00 0.00 179.45 175.64 3mv3 h ASN 1000N -0.75 0.00 0.32 4.20 2.35 -0.59 -2.17 115.58 118.95 3mv3 h ASN 1000Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3mv3 h ASN 1000Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3mv3 h ASN 1000CO -0.23 0.14 -0.15 0.15 -1.65 0.00 0.00 177.43 175.69 3mv3 h PHE 1001N 0.00 -0.40 -0.89 1.19 3.57 0.72 -2.33 116.94 118.80 3mv3 h PHE 1001Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3mv3 h PHE 1001Cb 0.30 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 3mv3 h PHE 1001CO 0.00 -0.21 0.54 0.87 -2.23 0.00 0.00 178.31 177.28 3mv3 h LYS 1002N -0.49 0.89 0.00 1.11 1.79 -0.95 -1.37 116.57 117.55 3mv3 h LYS 1002Ca -0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3mv3 h LYS 1002Cb 0.37 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3mv3 h LYS 1002CO 0.07 0.59 0.00 1.28 -1.08 0.00 0.00 179.45 180.31 3mv3 n LEU 1003N -4.66 0.00 -2.85 2.94 4.77 -0.85 -4.87 117.00 111.48 3mv3 n LEU 1003Ca 0.15 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 3mv3 n LEU 1003Cb 0.27 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3mv3 n LEU 1003CO 0.28 0.00 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.05 3mv3 n ASN 1004N -0.84 -5.48 -3.95 -1.43 5.15 -0.52 -4.92 115.26 103.27 3mv3 n ASN 1004Ca 0.11 -0.18 -0.35 0.00 -0.60 0.00 0.00 54.58 53.55 3mv3 n ASN 1004Cb 0.05 -4.50 -0.06 0.00 -0.53 0.00 0.00 39.78 34.75 3mv3 n ASN 1004CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3mv3 n LYS 1005N -3.60 2.92 -0.25 1.20 5.02 -0.92 -4.95 118.16 117.58 3mv3 n LYS 1005Ca -0.14 -4.53 -0.12 0.00 -2.02 0.00 0.00 58.31 51.50 3mv3 n LYS 1005Cb 0.63 -2.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.14 3mv3 n LYS 1005CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mv3 h PRO 1006N 5.52 -0.22 -0.44 1.97 0.13 -1.91 -1.76 132.00 135.29 3mv3 h PRO 1006Ca 0.18 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.40 3mv3 h PRO 1006Cb 0.74 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 3mv3 h PRO 1006CO 0.93 -0.14 -0.39 -0.44 -0.23 0.00 0.00 178.00 177.73 3mv3 h ASP 1007N -0.22 -1.30 -0.67 1.44 3.32 -1.97 -1.07 116.42 115.94 3mv3 h ASP 1007Ca 0.10 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3mv3 h ASP 1007Cb 0.50 0.59 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3mv3 h ASP 1007CO -0.71 -0.34 0.39 0.40 -1.72 0.00 0.00 179.24 177.25 3mv3 h ILE 1008N -0.28 1.20 -0.27 0.35 5.03 -1.89 -2.38 117.51 119.28 3mv3 h ILE 1008Ca 0.16 -0.48 0.06 0.00 -0.12 0.00 0.00 64.86 64.49 3mv3 h ILE 1008Cb 0.57 0.30 -0.07 0.00 -3.03 0.00 0.00 36.82 34.59 3mv3 h ILE 1008CO -0.59 0.22 -0.16 0.00 -0.68 0.00 0.00 178.15 176.94 3mv3 h ALA 1009N 1.20 0.04 0.04 1.87 0.00 -0.37 -1.61 119.26 120.43 3mv3 h ALA 1009Ca 0.24 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3mv3 h ALA 1009Cb 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3mv3 h ALA 1009CO -0.04 -0.57 -0.34 0.82 0.00 0.00 0.00 179.25 179.12 3mv3 h ILE 1010N -0.14 0.28 -1.12 0.00 2.04 -0.97 -1.34 117.51 116.26 3mv3 h ILE 1010Ca 0.15 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.32 3mv3 h ILE 1010Cb 0.36 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 36.62 3mv3 h ILE 1010CO -0.35 0.00 0.73 -0.08 0.00 0.00 0.00 178.15 178.44 3mv3 h GLU 1011N -0.51 0.28 0.28 2.37 4.57 -0.87 -1.28 114.58 119.42 3mv3 h GLU 1011Ca 0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3mv3 h GLU 1011Cb 0.58 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3mv3 h GLU 1011CO -0.25 0.18 -0.14 0.00 -1.18 0.00 0.00 179.01 177.63 3mv3 h PHE 1013N -0.46 0.32 -0.21 0.00 0.05 -0.89 0.67 116.94 116.43 3mv3 h PHE 1013Ca -0.04 0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3mv3 h PHE 1013Cb 0.29 0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 3mv3 h PHE 1013CO 0.12 -0.39 0.13 0.00 -0.18 0.00 0.00 178.31 177.99 3mv3 h ARG 1014N 0.06 0.26 -0.64 1.51 3.08 -1.32 0.30 114.38 117.63 3mv3 h ARG 1014Ca 0.66 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.80 3mv3 h ARG 1014Cb 1.50 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.45 3mv3 h ARG 1014CO -0.81 0.18 0.43 1.49 -1.07 0.00 0.00 179.97 180.18 3mv3 h GLU 1015N 0.27 0.44 -0.07 0.04 4.81 0.62 0.45 114.58 121.14 3mv3 h GLU 1015Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3mv3 h GLU 1015Cb -0.02 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 3mv3 h GLU 1015CO -0.02 0.29 -0.05 0.00 -0.73 0.00 0.00 179.01 178.50 3mv3 h ALA 1016N 1.68 0.10 -0.11 2.92 0.00 0.09 -0.43 119.26 123.51 3mv3 h ALA 1016Ca 0.30 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3mv3 h ALA 1016Cb 0.56 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3mv3 h ALA 1016CO -0.09 -0.12 -0.08 0.82 0.00 0.00 0.00 179.25 179.78 3mv3 h ILE 1017N -0.23 0.77 -0.43 0.00 2.04 0.16 -0.11 117.51 119.70 3mv3 h ILE 1017Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3mv3 h ILE 1017Cb 0.52 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3mv3 h ILE 1017CO 0.01 0.00 0.16 1.88 0.00 0.00 0.00 178.15 180.21 3mv3 h TYR 1018N -0.09 0.29 -0.69 1.37 0.99 -0.16 -1.00 116.97 117.68 3mv3 h TYR 1018Ca 0.07 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.83 3mv3 h TYR 1018Cb 0.19 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 37.81 3mv3 h TYR 1018CO -0.20 0.12 0.45 0.00 -0.00 0.00 0.00 178.16 178.53 3mv3 h ARG 1019N 0.34 0.91 0.46 4.88 3.08 -0.46 -2.40 114.38 121.19 3mv3 h ARG 1019Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3mv3 h ARG 1019Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3mv3 h ARG 1019CO -0.19 0.61 -0.22 0.82 -1.07 0.00 0.00 179.97 179.91 3mv3 h ILE 1020N 0.93 0.51 -0.85 2.04 1.08 -0.27 -2.10 117.51 118.85 3mv3 h ILE 1020Ca 0.25 -0.28 0.27 0.00 -0.39 0.00 0.00 64.86 64.71 3mv3 h ILE 1020Cb -0.10 0.64 -0.16 0.00 -3.07 0.00 0.00 36.82 34.13 3mv3 h ILE 1020CO -0.05 0.05 0.13 0.41 -0.69 0.00 0.00 178.15 178.00 3mv3 n THR 1021N -5.29 -0.36 -1.19 -0.27 -1.04 -0.45 0.58 114.28 106.26 3mv3 n THR 1021Ca -0.11 1.84 -0.07 0.00 -2.04 0.00 0.00 64.05 63.68 3mv3 n THR 1021Cb 0.29 -2.77 0.24 0.00 -1.82 0.00 0.00 70.33 66.28 3mv3 n THR 1021CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3mv3 n LEU 1022N -5.16 5.30 0.00 -4.42 4.77 -1.07 -4.85 117.00 111.58 3mv3 n LEU 1022Ca 0.23 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 3mv3 n LEU 1022Cb 0.77 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3mv3 n LEU 1022CO -0.05 0.96 0.00 -0.11 -1.33 0.00 0.00 177.39 176.87 3mv3 n LEU 1023N -0.69 0.00 -3.62 2.23 0.00 0.20 -4.49 117.00 110.62 3mv3 n LEU 1023Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.35 3mv3 n LEU 1023Cb 1.27 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 44.64 3mv3 n LEU 1023CO 0.35 0.00 1.00 -0.69 0.00 0.00 0.00 177.39 178.06 3mv3 s VAL 1025N 0.03 0.00 -0.08 1.96 1.01 0.84 -4.64 120.40 119.53 3mv3 s VAL 1025Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3mv3 s VAL 1025Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3mv3 s VAL 1025CO 0.00 0.00 0.05 0.44 0.00 0.00 0.00 175.10 175.59 3mv3 h ASP 1026N 2.35 -0.03 -3.37 3.32 3.32 -1.98 -2.20 116.42 117.83 3mv3 h ASP 1026Ca -0.13 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.36 3mv3 h ASP 1026Cb 1.18 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 3mv3 h ASP 1026CO 0.25 0.37 0.14 -1.81 -1.72 0.00 0.00 179.24 176.47 3mv3 s ASP 1027N -5.02 7.05 0.34 6.45 1.01 -1.26 -4.75 116.67 120.50 3mv3 s ASP 1027Ca -0.01 1.27 0.14 0.00 0.71 0.00 0.00 52.55 54.67 3mv3 s ASP 1027Cb 0.00 -2.44 1.05 0.00 1.01 0.00 0.00 42.92 42.55 3mv3 s ASP 1027CO 0.02 -0.14 1.68 0.00 0.21 0.00 0.00 175.17 176.93 3mv3 h ALA 1028N 6.77 1.95 -0.70 5.23 0.00 -2.02 -0.20 119.26 130.30 3mv3 h ALA 1028Ca -0.41 0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.81 3mv3 h ALA 1028Cb 1.20 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 3mv3 h ALA 1028CO 0.75 -0.53 -0.21 0.93 0.00 0.00 0.00 179.25 180.20 3mv3 h GLU 1029N 0.38 -0.03 0.00 0.00 4.39 -2.00 -2.12 114.58 115.20 3mv3 h GLU 1029Ca 0.71 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.33 3mv3 h GLU 1029Cb 1.59 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 3mv3 h GLU 1029CO -0.56 -0.02 -0.39 -0.44 -1.16 0.00 0.00 179.01 176.44 3mv3 h ASP 1030N -0.03 0.00 -0.59 1.42 3.32 -1.43 -2.26 116.42 116.85 3mv3 h ASP 1030Ca 0.33 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.41 3mv3 h ASP 1030Cb 0.53 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3mv3 h ASP 1030CO -0.73 0.39 0.39 -0.08 -1.72 0.00 0.00 179.24 177.48 3mv3 h GLU 1031N 0.00 0.66 0.24 3.56 4.81 -1.36 0.30 114.58 122.78 3mv3 h GLU 1031Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3mv3 h GLU 1031Cb 0.77 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3mv3 h GLU 1031CO 0.05 0.44 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.43 3mv3 h LYS 1032N 0.68 -0.30 -0.67 1.92 3.64 -1.32 -2.63 116.57 117.88 3mv3 h LYS 1032Ca 0.24 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3mv3 h LYS 1032Cb 0.10 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3mv3 h LYS 1032CO -0.06 -0.11 0.17 1.25 -2.27 0.00 0.00 179.45 178.43 3mv3 h LEU 1033N -0.45 0.99 -0.87 5.20 6.46 -1.17 -1.84 115.31 123.64 3mv3 h LEU 1033Ca -0.03 -0.20 0.15 0.00 -0.12 0.00 0.00 57.88 57.68 3mv3 h LEU 1033Cb 0.34 -0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 39.91 3mv3 h LEU 1033CO 0.05 0.95 0.46 0.00 -0.62 0.00 0.00 178.44 179.29 3mv3 h ALA 1034N 1.17 1.34 -0.09 1.25 0.00 -0.31 0.17 119.26 122.79 3mv3 h ALA 1034Ca 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3mv3 h ALA 1034Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mv3 h ALA 1034CO -0.00 -0.08 -0.02 0.45 0.00 0.00 0.00 179.25 179.60 3mv3 h HIS 1035N 0.64 0.19 -0.83 0.00 3.86 -1.00 0.62 115.15 118.63 3mv3 h HIS 1035Ca 0.48 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.75 3mv3 h HIS 1035Cb 0.69 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.04 3mv3 h HIS 1035CO -0.08 0.48 0.47 0.87 0.86 0.00 0.00 177.93 180.53 3mv3 h LYS 1036N -0.16 0.76 0.13 2.45 1.57 -0.42 0.68 116.57 121.57 3mv3 h LYS 1036Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3mv3 h LYS 1036Cb 0.42 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3mv3 h LYS 1036CO 0.01 0.50 -0.06 0.82 -0.57 0.00 0.00 179.45 180.15 3mv3 h ILE 1037N 0.78 0.97 -0.55 1.86 2.04 -0.58 -2.29 117.51 119.73 3mv3 h ILE 1037Ca 0.41 -0.37 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3mv3 h ILE 1037Cb 0.40 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3mv3 h ILE 1037CO -0.26 0.09 0.02 0.25 0.00 0.00 0.00 178.15 178.25 3mv3 h LEU 1038N -0.34 -0.20 0.00 1.44 5.85 0.58 -1.13 115.31 121.51 3mv3 h LEU 1038Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3mv3 h LEU 1038Cb 0.28 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3mv3 h LEU 1038CO 0.03 -0.07 0.00 -0.62 -0.34 0.00 0.00 178.44 177.44 3mv3 n GLU 1039N -5.23 0.00 -0.23 1.25 -0.58 0.22 -2.58 120.64 113.50 3mv3 n GLU 1039Ca 0.07 0.51 0.01 0.00 -0.42 0.00 0.00 57.16 57.33 3mv3 n GLU 1039Cb 0.30 -1.27 0.05 0.00 -0.57 0.00 0.00 31.44 29.95 3mv3 n GLU 1039CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3mv3 n THR 1040N -1.68 -0.29 -0.05 2.62 -1.04 -0.88 -0.88 114.28 112.08 3mv3 n THR 1040Ca 0.00 1.40 -0.08 0.00 -2.04 0.00 0.00 64.05 63.33 3mv3 n THR 1040Cb 0.00 -1.89 -0.05 0.00 -1.82 0.00 0.00 70.33 66.57 3mv3 n THR 1040CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mv3 h ALA 1041N 0.99 -0.60 -0.98 2.41 0.00 -0.94 0.22 119.26 120.35 3mv3 h ALA 1041Ca 0.24 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.35 3mv3 h ALA 1041Cb 0.39 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3mv3 h ALA 1041CO -0.61 -0.73 0.62 0.07 0.00 0.00 0.00 179.25 178.60 3mv3 h ARG 1042N -0.25 0.58 0.00 0.00 0.11 -0.88 0.99 114.38 114.93 3mv3 h ARG 1042Ca 0.03 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3mv3 h ARG 1042Cb 0.33 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.28 3mv3 h ARG 1042CO -0.29 0.39 -0.05 0.93 0.10 0.00 0.00 179.97 181.05 3mv3 h GLU 1043N 0.60 0.00 0.07 0.08 4.39 -0.72 1.04 114.58 120.04 3mv3 h GLU 1043Ca 0.55 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.89 3mv3 h GLU 1043Cb 1.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3mv3 h GLU 1043CO -0.30 0.05 -2.06 0.66 -1.16 0.00 0.00 179.01 176.20 3mv3 n TYR 1044N -3.43 0.87 -0.20 4.33 4.02 0.31 -2.05 117.16 121.01 3mv3 n TYR 1044Ca -0.02 0.22 -0.07 0.00 -0.01 0.00 0.00 57.90 58.01 3mv3 n TYR 1044Cb 0.18 -1.13 0.02 0.00 -0.02 0.00 0.00 39.34 38.40 3mv3 n TYR 1044CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mv3 h ILE 1045N 0.04 1.22 0.60 -0.72 2.04 -0.23 -0.82 117.51 119.63 3mv3 h ILE 1045Ca -0.43 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 3mv3 h ILE 1045Cb 2.02 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3mv3 h ILE 1045CO 0.05 0.25 -0.33 0.25 0.00 0.00 0.00 178.15 178.38 3mv3 h LEU 1046N 0.77 -0.80 -0.84 1.44 6.46 0.10 0.64 115.31 123.08 3mv3 h LEU 1046Ca 0.19 0.04 0.17 0.00 -0.12 0.00 0.00 57.88 58.16 3mv3 h LEU 1046Cb 0.16 0.22 -0.16 0.00 -0.73 0.00 0.00 40.66 40.16 3mv3 h LEU 1046CO -0.02 -0.52 -0.22 1.23 -0.62 0.00 0.00 178.44 178.28 3mv3 h GLY 1047N -0.85 0.56 0.74 3.75 0.00 -1.33 0.87 103.07 106.81 3mv3 h GLY 1047Ca -0.08 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3mv3 h GLY 1047CO 0.11 -0.31 -0.00 1.41 0.00 0.00 0.00 176.54 177.74 3mv3 h LEU 1048N -0.01 0.13 -1.38 3.11 3.38 -1.00 -2.39 115.31 117.16 3mv3 h LEU 1048Ca 0.40 -0.31 0.32 0.00 0.09 0.00 0.00 57.88 58.38 3mv3 h LEU 1048Cb 0.61 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 3mv3 h LEU 1048CO -0.87 0.41 0.73 0.28 0.09 0.00 0.00 178.44 179.08 3mv3 h SER 1049N -0.16 0.37 0.18 -0.43 0.02 0.26 0.39 113.55 114.19 3mv3 h SER 1049Ca 0.02 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3mv3 h SER 1049Cb 0.34 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3mv3 h SER 1049CO 0.00 -0.01 -0.08 0.40 -1.14 0.00 0.00 176.83 176.00 3mv3 h ILE 1050N 0.28 0.00 -0.93 3.27 2.04 -0.87 -2.64 117.51 118.66 3mv3 h ILE 1050Ca 0.67 -0.36 0.24 0.00 1.00 0.00 0.00 64.86 66.41 3mv3 h ILE 1050Cb 1.87 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.82 3mv3 h ILE 1050CO -0.34 0.00 0.44 -0.08 0.00 0.00 0.00 178.15 178.17 3mv3 h GLU 1051N -0.59 0.39 -0.49 2.37 4.57 -0.90 0.42 114.58 120.35 3mv3 h GLU 1051Ca -0.02 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3mv3 h GLU 1051Cb 0.18 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3mv3 h GLU 1051CO 0.04 0.26 0.19 1.25 -1.18 0.00 0.00 179.01 179.56 3mv3 h LEU 1052N 0.40 0.21 -0.32 1.64 6.46 -0.32 -0.74 115.31 122.64 3mv3 h LEU 1052Ca 0.60 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 58.36 3mv3 h LEU 1052Cb 1.19 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 3mv3 h LEU 1052CO -0.54 0.15 -0.23 -0.08 -0.62 0.00 0.00 178.44 177.11 3mv3 h GLU 1053N 0.37 0.00 0.00 1.25 4.81 -0.07 -2.60 114.58 118.34 3mv3 h GLU 1053Ca 0.23 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3mv3 h GLU 1053Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3mv3 h GLU 1053CO -0.22 0.23 -0.39 -0.09 -0.73 0.00 0.00 179.01 177.81 3mv3 h ARG 1054N 0.00 0.00 0.02 1.92 1.12 0.43 -2.59 114.38 115.29 3mv3 h ARG 1054Ca -0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 3mv3 h ARG 1054Cb 1.06 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 3mv3 h ARG 1054CO 0.03 0.39 -0.96 0.00 -3.11 0.00 0.00 179.97 176.32 3mv3 h ARG 1055N 0.00 0.18 -1.83 0.20 3.08 -0.80 -3.27 114.38 111.94 3mv3 h ARG 1055Ca -0.00 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3mv3 h ARG 1055Cb 0.82 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 3mv3 h ARG 1055CO 0.05 1.01 0.14 -1.13 -1.07 0.00 0.00 179.97 178.97 3mv3 n SER 1056N -3.60 5.75 -4.41 7.04 3.41 -0.97 -4.86 113.62 115.99 3mv3 n SER 1056Ca -0.04 -2.65 -0.32 0.00 -0.26 0.00 0.00 58.87 55.59 3mv3 n SER 1056Cb 0.86 -1.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.56 3mv3 n SER 1056CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mv3 s LEU 1057N -0.66 2.59 0.19 1.04 1.43 -1.24 -5.02 118.68 117.01 3mv3 s LEU 1057Ca 0.13 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 3mv3 s LEU 1057Cb 0.10 -1.53 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3mv3 s LEU 1057CO -0.00 0.28 0.65 -0.54 0.23 0.00 0.00 176.35 176.97 3mv3 s LYS 1058N -0.34 4.13 0.34 1.70 1.02 -1.26 -5.01 119.74 120.32 3mv3 s LYS 1058Ca 0.03 0.70 -0.19 0.00 0.02 0.00 0.00 55.97 56.53 3mv3 s LYS 1058Cb -0.13 -2.88 -0.14 0.00 -0.52 0.00 0.00 37.83 34.16 3mv3 s LYS 1058CO 0.02 0.42 0.10 -0.85 -0.92 0.00 0.00 175.35 174.12 3mv3 n GLU 1059N 0.71 0.00 0.00 1.68 0.28 -1.26 -2.02 120.64 120.03 3mv3 n GLU 1059Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3mv3 n GLU 1059Cb 0.51 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.51 3mv3 n GLU 1059CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mv3 n GLY 1060N 2.03 2.85 0.00 -1.84 0.00 -1.26 -4.79 105.19 102.19 3mv3 n GLY 1060Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3mv3 n GLY 1060CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mv3 n ASN 1061N 0.35 0.00 -0.05 1.61 3.02 -0.86 -4.36 115.26 114.98 3mv3 n ASN 1061Ca 0.00 -1.13 0.01 0.00 -0.03 0.00 0.00 54.58 53.43 3mv3 n ASN 1061Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3mv3 n ASN 1061CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mv3 n THR 1062N -0.67 -0.06 0.03 3.41 -2.24 -1.26 0.61 114.28 114.10 3mv3 n THR 1062Ca 0.06 0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 62.02 3mv3 n THR 1062Cb 0.03 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 67.72 3mv3 n THR 1062CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3mv3 h VAL 1063N 0.00 0.00 0.00 2.28 2.07 -2.00 -2.70 116.25 115.90 3mv3 h VAL 1063Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3mv3 h VAL 1063Cb 0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3mv3 h VAL 1063CO -0.14 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.31 3mv3 n ARG 1064N -5.12 0.00 0.00 1.57 3.00 0.20 -2.57 116.66 113.74 3mv3 n ARG 1064Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3mv3 n ARG 1064Cb 0.35 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.65 3mv3 n ARG 1064CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3mv3 n LEU 1066N 0.80 0.00 0.19 6.15 4.77 -1.02 -1.24 117.00 126.64 3mv3 n LEU 1066Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3mv3 n LEU 1066Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3mv3 n LEU 1066CO 0.00 0.00 0.68 -0.08 -1.33 0.00 0.00 177.39 176.66 3mv3 h GLU 1067N 0.00 -0.58 0.04 3.23 4.81 -1.76 -1.83 114.58 118.50 3mv3 h GLU 1067Ca 0.00 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3mv3 h GLU 1067Cb 0.00 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3mv3 h GLU 1067CO 0.00 -0.38 -0.02 -0.07 -0.73 0.00 0.00 179.01 177.81 3mv3 h LEU 1068N -0.60 -0.05 -1.74 1.64 3.38 -1.48 -1.80 115.31 114.67 3mv3 h LEU 1068Ca -0.01 -0.13 0.25 0.00 0.09 0.00 0.00 57.88 58.08 3mv3 h LEU 1068Cb 0.55 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3mv3 h LEU 1068CO -0.05 0.10 0.65 0.00 0.09 0.00 0.00 178.44 179.23 3mv3 h ALA 1069N 0.76 2.57 0.00 1.53 0.00 -1.80 0.17 119.26 122.48 3mv3 h ALA 1069Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3mv3 h ALA 1069Cb 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mv3 h ALA 1069CO 0.01 -0.87 -0.95 0.00 0.00 0.00 0.00 179.25 177.44 3mv3 h ALA 1070N 1.57 0.65 -0.11 0.00 0.00 -0.93 -3.32 119.26 117.12 3mv3 h ALA 1070Ca 0.48 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3mv3 h ALA 1070Cb 1.56 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.45 3mv3 h ALA 1070CO -0.11 0.70 -0.59 1.88 0.00 0.00 0.00 179.25 181.14 3mv3 h TYR 1071N 0.00 0.81 -1.14 0.00 0.99 0.09 -3.03 116.97 114.68 3mv3 h TYR 1071Ca -0.08 -0.36 0.34 0.00 2.00 0.00 0.00 58.73 60.64 3mv3 h TYR 1071Cb 1.44 -0.12 -0.12 0.00 1.00 0.00 0.00 36.73 38.93 3mv3 h TYR 1071CO 0.00 1.15 0.72 0.35 -0.00 0.00 0.00 178.16 180.38 3mv3 h PHE 1072N 0.23 0.66 -0.02 4.88 3.57 -1.09 1.58 116.94 126.75 3mv3 h PHE 1072Ca -0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3mv3 h PHE 1072Cb 1.23 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 3mv3 h PHE 1072CO 0.11 -0.09 0.02 1.15 -2.23 0.00 0.00 178.31 177.27 3mv3 h THR 1073N 0.26 0.73 0.00 4.41 2.02 -1.64 -1.86 112.91 116.84 3mv3 h THR 1073Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.89 3mv3 h THR 1073Cb 1.95 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3mv3 h THR 1073CO -0.40 0.00 0.00 0.50 0.37 0.00 0.00 175.52 175.99 3mv3 h LYS 1074N 0.00 0.00 -5.92 6.66 3.11 0.22 -3.45 116.57 117.18 3mv3 h LYS 1074Ca 0.01 0.00 -0.58 0.00 -2.81 0.00 0.00 60.65 57.27 3mv3 h LYS 1074Cb 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 3mv3 h LYS 1074CO -0.00 0.00 1.51 0.00 -2.81 0.00 0.00 179.45 178.15 3mv3 n ALA 1075N -2.06 1.58 -0.69 5.00 0.00 -0.70 -4.83 120.51 118.81 3mv3 n ALA 1075Ca 0.03 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 3mv3 n ALA 1075Cb 0.45 -2.93 -0.12 0.00 0.00 0.00 0.00 19.45 16.85 3mv3 n ALA 1075CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mv3 n LYS 1076N 8.75 0.07 -3.11 0.00 5.02 -1.26 -4.86 118.16 122.78 3mv3 n LYS 1076Ca 0.32 -1.14 -0.17 0.00 -2.02 0.00 0.00 58.31 55.29 3mv3 n LYS 1076Cb 0.44 -2.74 0.01 0.00 -0.02 0.00 0.00 35.03 32.72 3mv3 n LYS 1076CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mv3 s LEU 1077N 2.73 3.73 0.48 -0.35 1.43 -1.26 -4.89 118.68 120.55 3mv3 s LEU 1077Ca 0.71 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3mv3 s LEU 1077Cb 0.12 -2.68 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 3mv3 s LEU 1077CO 0.32 -0.69 1.25 -1.54 0.23 0.00 0.00 176.35 175.92 3mv3 n SER 1078N -1.81 2.35 0.01 2.29 3.41 -1.26 -4.67 113.62 113.94 3mv3 n SER 1078Ca 0.06 1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 59.58 3mv3 n SER 1078Cb 0.59 -1.51 -0.06 0.00 -0.26 0.00 0.00 64.21 62.97 3mv3 n SER 1078CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3mv3 h PRO 1079N 1.68 -0.48 -0.98 4.33 0.13 -1.97 -0.79 132.00 133.91 3mv3 h PRO 1079Ca -0.49 0.03 0.41 0.00 -0.87 0.00 0.00 66.00 65.09 3mv3 h PRO 1079Cb 1.31 0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.37 3mv3 h PRO 1079CO 0.58 -0.32 0.52 1.51 -0.23 0.00 0.00 178.00 180.06 3mv3 n ILE 1080N -5.44 -0.41 0.11 -3.56 3.06 -1.26 0.23 119.36 112.09 3mv3 n ILE 1080Ca -0.04 1.99 0.01 0.00 -2.50 0.00 0.00 62.75 62.21 3mv3 n ILE 1080Cb 0.36 -3.24 -0.01 0.00 0.54 0.00 0.00 39.64 37.29 3mv3 n ILE 1080CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 3mv3 h HIS 1081N 0.00 0.00 0.00 9.51 3.86 -1.61 -3.06 115.15 123.85 3mv3 h HIS 1081Ca 0.83 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.04 3mv3 h HIS 1081Cb 2.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.67 3mv3 h HIS 1081CO -0.01 0.59 0.00 -0.09 0.86 0.00 0.00 177.93 179.28 3mv3 h ARG 1082N 0.00 0.00 0.43 2.45 2.43 0.43 -3.06 114.38 117.06 3mv3 h ARG 1082Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3mv3 h ARG 1082Cb 1.47 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 3mv3 h ARG 1082CO 0.07 0.00 -0.26 1.15 -1.51 0.00 0.00 179.97 179.42 3mv3 h THR 1083N 0.00 0.46 -0.96 0.20 2.02 -1.15 0.91 112.91 114.39 3mv3 h THR 1083Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 3mv3 h THR 1083Cb 0.43 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3mv3 h THR 1083CO 0.00 0.00 0.63 0.78 0.37 0.00 0.00 175.52 177.30 3mv3 h ASN 1084N -0.66 0.46 0.57 4.18 4.21 -1.72 0.35 115.58 122.97 3mv3 h ASN 1084Ca -0.05 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 3mv3 h ASN 1084Cb 0.54 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.72 3mv3 h ASN 1084CO 0.05 0.16 -0.27 0.00 -1.29 0.00 0.00 177.43 176.07 3mv3 h ALA 1085N 1.61 -0.76 -0.68 -0.83 0.00 -1.47 -2.35 119.26 114.78 3mv3 h ALA 1085Ca 0.52 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.40 3mv3 h ALA 1085Cb 1.25 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 3mv3 h ALA 1085CO -0.23 -0.72 0.03 -0.07 0.00 0.00 0.00 179.25 178.26 3mv3 h LEU 1086N -1.17 -0.25 -0.65 0.00 3.38 0.41 -0.01 115.31 117.01 3mv3 h LEU 1086Ca -0.08 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3mv3 h LEU 1086Cb 0.60 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3mv3 h LEU 1086CO 0.13 -0.12 0.38 -0.61 0.09 0.00 0.00 178.44 178.31 3mv3 h GLN 1087N 0.14 0.71 -0.18 1.13 4.15 -0.36 -2.10 115.11 118.60 3mv3 h GLN 1087Ca 0.37 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.78 3mv3 h GLN 1087Cb 0.62 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3mv3 h GLN 1087CO -0.57 0.47 -0.05 0.28 -1.93 0.00 0.00 178.83 177.03 3mv3 h VAL 1088N 0.73 0.82 0.00 2.39 2.07 -0.48 -1.48 116.25 120.30 3mv3 h VAL 1088Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3mv3 h VAL 1088Cb 0.10 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3mv3 h VAL 1088CO -0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.45 3mv3 n ALA 1089N -2.37 1.22 0.00 1.67 0.00 -0.50 -2.66 120.51 117.87 3mv3 n ALA 1089Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3mv3 n ALA 1089Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3mv3 n ALA 1089CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mv3 n SER 1091N 0.67 0.00 0.20 0.00 3.41 -0.56 -2.24 113.62 115.11 3mv3 n SER 1091Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3mv3 n SER 1091Cb 0.01 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.28 3mv3 n SER 1091CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mv3 h GLN 1092N 0.00 0.00 -0.95 4.33 1.08 -1.77 0.88 115.11 118.67 3mv3 h GLN 1092Ca 0.00 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.56 3mv3 h GLN 1092Cb 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.12 3mv3 h GLN 1092CO 0.00 0.00 0.62 0.72 -0.95 0.00 0.00 178.83 179.22 3mv3 n HIS 1093N -2.13 3.13 0.00 2.96 8.25 -0.95 -3.69 115.22 122.78 3mv3 n HIS 1093Ca -0.01 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 3mv3 n HIS 1093Cb 0.47 -1.26 0.00 0.00 1.12 0.00 0.00 29.99 30.32 3mv3 n HIS 1093CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mv3 n PHE 1094N -0.91 0.00 1.95 4.41 7.35 0.30 -3.02 117.46 127.55 3mv3 n PHE 1094Ca 0.60 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 57.35 3mv3 n PHE 1094Cb 0.77 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.95 3mv3 n PHE 1094CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3mv3 n LYS 1095N -1.07 0.98 -2.77 -4.13 5.02 -0.98 -2.98 118.16 112.23 3mv3 n LYS 1095Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3mv3 n LYS 1095Cb 0.00 -1.19 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 3mv3 n LYS 1095CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3mv3 n HIS 1096N -0.69 0.77 -3.68 2.13 8.25 -1.24 -5.05 115.22 115.71 3mv3 n HIS 1096Ca 0.09 -2.03 -0.18 0.00 -0.26 0.00 0.00 57.72 55.34 3mv3 n HIS 1096Cb 0.04 0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.17 3mv3 n HIS 1096CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3mv3 n LYS 1097N -0.69 -0.68 -3.16 -0.41 4.81 -1.16 -4.67 118.16 112.20 3mv3 n LYS 1097Ca 0.03 -0.13 -0.23 0.00 -0.87 0.00 0.00 58.31 57.11 3mv3 n LYS 1097Cb 0.82 -0.60 -0.05 0.00 0.02 0.00 0.00 35.03 35.22 3mv3 n LYS 1097CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3mv3 n ASN 1098N -0.49 1.99 0.00 3.14 5.03 -1.17 -3.08 115.26 120.69 3mv3 n ASN 1098Ca -0.07 -3.17 0.08 0.00 0.87 0.00 0.00 54.58 52.30 3mv3 n ASN 1098Cb 0.25 -0.62 0.41 0.00 -1.02 0.00 0.00 39.78 38.81 3mv3 n ASN 1098CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3mv3 n PHE 1099N 0.47 0.00 0.78 3.10 3.01 -1.25 -0.81 117.46 122.77 3mv3 n PHE 1099Ca 0.26 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.83 3mv3 n PHE 1099Cb 0.53 -0.36 0.48 0.00 -0.01 0.00 0.00 39.48 40.13 3mv3 n PHE 1099CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3mv3 n LEU 1100N -1.36 0.00 0.00 4.37 7.94 -1.11 -2.35 117.00 124.49 3mv3 n LEU 1100Ca 0.07 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 3mv3 n LEU 1100Cb 0.16 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.61 3mv3 n LEU 1100CO 0.14 -0.11 -0.29 0.00 -1.11 0.00 0.00 177.39 176.02 3mv3 n GLN 1101N -1.50 2.32 -0.19 1.96 3.00 -0.97 -4.63 117.38 117.37 3mv3 n GLN 1101Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3mv3 n GLN 1101Cb 0.26 -0.79 0.07 0.00 0.00 0.00 0.00 30.24 29.79 3mv3 n GLN 1101CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mv3 h ALA 1102N 0.00 0.74 0.00 -1.58 0.00 -1.01 0.51 119.26 117.92 3mv3 h ALA 1102Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3mv3 h ALA 1102Cb 0.55 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mv3 h ALA 1102CO 0.00 -0.07 -0.08 1.03 0.00 0.00 0.00 179.25 180.13 3mv3 h SER 1103N 0.54 0.00 0.26 0.00 0.87 -1.72 -0.18 113.55 113.31 3mv3 h SER 1103Ca 0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3mv3 h SER 1103Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3mv3 h SER 1103CO -0.19 0.08 -0.12 0.22 -0.53 0.00 0.00 176.83 176.29 3mv3 h TYR 1104N 0.00 -0.32 0.70 2.24 3.20 -0.46 -2.54 116.97 119.79 3mv3 h TYR 1104Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3mv3 h TYR 1104Cb 0.18 0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.56 3mv3 h TYR 1104CO 0.00 -0.05 -0.35 0.74 -1.64 0.00 0.00 178.16 176.86 3mv3 h PHE 1105N -1.02 -0.92 -1.23 -3.82 0.04 -0.14 0.85 116.94 110.69 3mv3 h PHE 1105Ca -0.04 -0.02 0.37 0.00 2.80 0.00 0.00 57.97 61.09 3mv3 h PHE 1105Cb 0.42 0.31 -0.11 0.00 2.20 0.00 0.00 35.95 38.77 3mv3 h PHE 1105CO 0.04 -0.56 0.80 0.00 -0.60 0.00 0.00 178.31 177.99 3mv3 h ALA 1106N -1.52 2.62 0.01 2.45 0.00 -1.20 0.14 119.26 121.76 3mv3 h ALA 1106Ca -0.10 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3mv3 h ALA 1106Cb 0.74 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3mv3 h ALA 1106CO 0.15 -1.15 -0.42 0.78 0.00 0.00 0.00 179.25 178.61 3mv3 h GLY 1107N 0.18 0.29 2.00 0.00 0.00 -0.92 -1.38 103.07 103.24 3mv3 h GLY 1107Ca 0.73 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3mv3 h GLY 1107CO -0.34 0.47 0.00 -2.09 0.00 0.00 0.00 176.54 174.58 3mv3 h GLU 1108N -0.37 0.00 0.00 4.80 4.57 0.30 -1.86 114.58 122.02 3mv3 h GLU 1108Ca -0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3mv3 h GLU 1108Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3mv3 h GLU 1108CO 0.08 0.00 -0.09 0.35 -1.18 0.00 0.00 179.01 178.17 3mv3 h PHE 1109N 0.00 0.00 -0.28 0.92 3.57 -0.78 -3.33 116.94 117.04 3mv3 h PHE 1109Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3mv3 h PHE 1109Cb 0.08 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3mv3 h PHE 1109CO 0.00 0.00 0.48 -0.07 -2.23 0.00 0.00 178.31 176.49 3mv3 h LEU 1110N -1.00 0.00 -2.22 0.59 3.38 -0.84 -0.21 115.31 115.01 3mv3 h LEU 1110Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3mv3 h LEU 1110Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3mv3 h LEU 1110CO -0.00 0.00 0.11 2.29 0.09 0.00 0.00 178.44 180.93 3mv3 n LYS 1111N -3.32 1.51 0.00 1.13 2.85 -0.74 -3.65 118.16 115.95 3mv3 n LYS 1111Ca 0.05 -0.75 0.00 0.00 -1.05 0.00 0.00 58.31 56.55 3mv3 n LYS 1111Cb 0.61 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 3mv3 n LYS 1111CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3mv3 n ILE 1112N 0.11 0.00 -3.72 0.58 5.41 -0.12 -5.05 119.36 116.57 3mv3 n ILE 1112Ca 0.12 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.49 3mv3 n ILE 1112Cb 0.69 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.50 3mv3 n ILE 1112CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3mv3 s ILE 1113N -1.00 4.09 -0.01 1.39 -1.09 -1.02 -5.03 121.20 118.53 3mv3 s ILE 1113Ca 0.00 -0.80 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 3mv3 s ILE 1113Cb 0.00 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3mv3 s ILE 1113CO 0.00 -0.04 0.52 -1.28 -1.23 0.00 0.00 174.94 172.91 3mv3 h SER 1114N 8.28 -0.19 -3.11 3.58 0.87 -1.91 -3.42 113.55 117.65 3mv3 h SER 1114Ca -0.28 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.07 3mv3 h SER 1114Cb 1.11 0.05 -0.31 0.00 -0.44 0.00 0.00 62.40 62.81 3mv3 h SER 1114CO 0.62 -0.03 -0.51 -0.55 -0.53 0.00 0.00 176.83 175.82 3mv3 s SER 1115N -3.44 0.07 0.11 6.23 0.15 -1.26 -4.90 113.70 110.65 3mv3 s SER 1115Ca -0.03 0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.90 3mv3 s SER 1115Cb 0.00 0.53 0.08 0.00 -1.71 0.00 0.00 66.02 64.93 3mv3 s SER 1115CO 0.10 -0.20 1.06 -0.83 1.20 0.00 0.00 173.24 174.57 3mv3 s GLY 1116N 1.84 -0.26 0.15 9.45 0.00 -1.26 -4.97 107.32 112.27 3mv3 s GLY 1116Ca -0.04 0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.72 3mv3 s GLY 1116CO -0.08 0.20 1.64 -0.56 0.00 0.00 0.00 173.10 174.29 3mv3 h PRO 1117N 2.00 -0.22 -0.07 2.90 0.13 -2.01 -0.79 132.00 133.95 3mv3 h PRO 1117Ca -0.26 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3mv3 h PRO 1117Cb 1.22 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3mv3 h PRO 1117CO 0.27 -0.15 0.04 -0.09 -0.23 0.00 0.00 178.00 177.84 3mv3 h ARG 1118N -0.23 0.10 -0.63 0.86 2.43 -2.01 -2.98 114.38 111.92 3mv3 h ARG 1118Ca 0.14 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 3mv3 h ARG 1118Cb 0.44 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 3mv3 h ARG 1118CO -0.37 0.15 0.13 0.00 -1.51 0.00 0.00 179.97 178.37 3mv3 h ALA 1119N 0.95 0.76 -0.61 2.80 0.00 -1.84 -0.44 119.26 120.88 3mv3 h ALA 1119Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3mv3 h ALA 1119Cb 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3mv3 h ALA 1119CO -0.00 -0.31 0.42 0.93 0.00 0.00 0.00 179.25 180.28 3mv3 h GLU 1120N 0.26 0.26 -0.15 0.00 5.08 -0.99 -0.60 114.58 118.44 3mv3 h GLU 1120Ca 0.34 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 3mv3 h GLU 1120Cb 0.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3mv3 h GLU 1120CO -0.43 0.17 -0.47 0.37 -1.00 0.00 0.00 179.01 177.65 3mv3 h GLN 1121N 0.26 0.57 -0.60 2.33 4.15 -1.08 -2.85 115.11 117.90 3mv3 h GLN 1121Ca 0.29 -0.42 0.15 0.00 0.77 0.00 0.00 58.65 59.44 3mv3 h GLN 1121Cb 0.78 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 3mv3 h GLN 1121CO -0.06 1.04 0.42 0.00 -1.93 0.00 0.00 178.83 178.30 3mv3 h ALA 1122N 0.53 2.39 0.46 3.38 0.00 -0.72 0.07 119.26 125.37 3mv3 h ALA 1122Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mv3 h ALA 1122Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mv3 h ALA 1122CO 0.10 -0.55 -0.22 0.00 0.00 0.00 0.00 179.25 178.58 3mv3 h ARG 1123N 0.13 -0.60 -1.07 0.00 3.08 -1.22 -2.55 114.38 112.14 3mv3 h ARG 1123Ca 0.29 0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.69 3mv3 h ARG 1123Cb 0.96 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 3mv3 h ARG 1123CO -0.04 -0.40 0.80 -0.22 -1.07 0.00 0.00 179.97 179.04 3mv3 h LYS 1124N -0.92 0.00 -0.03 0.04 3.64 -1.17 0.38 116.57 118.51 3mv3 h LYS 1124Ca -0.06 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 3mv3 h LYS 1124Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3mv3 h LYS 1124CO 0.10 0.00 -0.87 0.82 -2.27 0.00 0.00 179.45 177.23 3mv3 h ILE 1125N 0.00 1.39 0.00 2.00 1.08 -0.94 -2.91 117.51 118.13 3mv3 h ILE 1125Ca 0.51 -2.34 -0.04 0.00 -0.39 0.00 0.00 64.86 62.60 3mv3 h ILE 1125Cb 2.10 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 38.15 3mv3 h ILE 1125CO -0.01 0.70 -0.17 0.50 -0.69 0.00 0.00 178.15 178.48 3mv3 h LYS 1126N 0.25 0.00 0.00 2.37 3.64 0.18 -2.83 116.57 120.19 3mv3 h LYS 1126Ca -0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3mv3 h LYS 1126Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3mv3 h LYS 1126CO 0.15 0.17 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.59 3mv3 h ASN 1127N 0.00 -0.01 0.00 4.20 2.35 -1.44 -0.47 115.58 120.22 3mv3 h ASN 1127Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mv3 h ASN 1127Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3mv3 h ASN 1127CO 0.02 0.02 0.14 0.29 -1.65 0.00 0.00 177.43 176.25 3mv3 n LYS 1128N -2.14 0.00 -0.07 0.81 5.02 -1.11 0.45 118.16 121.13 3mv3 n LYS 1128Ca -0.00 0.36 -0.03 0.00 -2.02 0.00 0.00 58.31 56.62 3mv3 n LYS 1128Cb 0.00 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.22 3mv3 n LYS 1128CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mv3 n ALA 1129N -1.36 1.91 0.38 7.82 0.00 -1.07 -4.19 120.51 124.00 3mv3 n ALA 1129Ca -0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 53.44 52.42 3mv3 n ALA 1129Cb 0.14 -0.30 0.08 0.00 0.00 0.00 0.00 19.45 19.37 3mv3 n ALA 1129CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mv3 n ASP 1130N -2.53 2.90 -2.38 0.00 8.00 0.17 -4.50 116.55 118.21 3mv3 n ASP 1130Ca -0.22 -2.40 -0.15 0.00 0.71 0.00 0.00 54.79 52.74 3mv3 n ASP 1130Cb 0.92 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3mv3 n ASP 1130CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mv3 n SER 1131N 0.08 3.53 -3.76 -2.24 3.41 -1.15 -5.01 113.62 108.48 3mv3 n SER 1131Ca 0.14 -3.08 -0.29 0.00 -0.26 0.00 0.00 58.87 55.38 3mv3 n SER 1131Cb 0.72 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 3mv3 n SER 1131CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mv3 n ALA 1133N -0.62 3.70 -2.53 7.33 0.00 -1.26 -5.10 120.51 122.04 3mv3 n ALA 1133Ca 0.29 -4.63 -0.38 0.00 0.00 0.00 0.00 53.44 48.72 3mv3 n ALA 1133Cb 0.88 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 3mv3 n ALA 1133CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mv3 s SER 1134N -1.71 6.80 -0.44 0.00 0.15 -1.26 -4.87 113.70 112.37 3mv3 s SER 1134Ca 0.30 0.96 0.04 0.00 0.70 0.00 0.00 55.95 57.95 3mv3 s SER 1134Cb 0.02 -2.27 0.44 0.00 -1.71 0.00 0.00 66.02 62.50 3mv3 s SER 1134CO -0.11 0.23 1.42 0.47 1.20 0.00 0.00 173.24 176.45 3mv3 n ASP 1135N 2.33 5.67 -0.37 5.45 8.00 -1.26 -2.75 116.55 133.61 3mv3 n ASP 1135Ca -0.12 -3.76 0.30 0.00 0.71 0.00 0.00 54.79 51.92 3mv3 n ASP 1135Cb 0.52 -0.55 0.60 0.00 -0.02 0.00 0.00 41.12 41.67 3mv3 n ASP 1135CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mv3 h ALA 1136N 2.27 2.57 -2.12 2.24 0.00 -1.83 -3.37 119.26 119.01 3mv3 h ALA 1136Ca 0.42 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.17 3mv3 h ALA 1136Cb 1.16 0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.73 3mv3 h ALA 1136CO 1.00 -1.03 -0.54 0.42 0.00 0.00 0.00 179.25 179.11 3mv3 s ILE 1137N -5.33 -0.50 0.07 0.00 1.01 -1.26 -5.08 121.20 110.11 3mv3 s ILE 1137Ca -0.08 -0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 3mv3 s ILE 1137Cb 0.26 -0.77 -0.07 0.00 0.01 0.00 0.00 42.46 41.89 3mv3 s ILE 1137CO 0.81 -0.17 1.45 -2.16 0.00 0.00 0.00 174.94 174.88 3mv3 s PRO 1138N 2.46 4.28 0.19 2.79 0.04 -1.26 -5.04 135.00 138.46 3mv3 s PRO 1138Ca 0.10 2.11 0.11 0.00 0.04 0.00 0.00 61.00 63.36 3mv3 s PRO 1138Cb -0.15 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 3mv3 s PRO 1138CO -0.15 -0.55 -0.22 0.42 0.04 0.00 0.00 177.00 176.54 3mv3 s ILE 1139N 1.80 2.19 0.45 0.56 1.01 -1.26 -5.03 121.20 120.93 3mv3 s ILE 1139Ca 0.66 -2.02 0.12 0.00 0.00 0.00 0.00 60.65 59.42 3mv3 s ILE 1139Cb -0.36 -2.05 0.22 0.00 0.01 0.00 0.00 42.46 40.29 3mv3 s ILE 1139CO 0.29 -0.19 2.04 -0.78 0.00 0.00 0.00 174.94 176.30 3mv3 h ASP 1140N 3.16 0.14 -2.55 3.58 1.82 -1.97 -3.43 116.42 117.17 3mv3 h ASP 1140Ca -0.45 -0.01 -0.54 0.00 -0.39 0.00 0.00 57.03 55.64 3mv3 h ASP 1140Cb 1.21 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 41.20 3mv3 h ASP 1140CO 0.50 0.19 1.11 0.12 -1.61 0.00 0.00 179.24 179.55 3mv3 s PHE 1141N -4.97 1.92 -0.27 0.28 5.36 -1.26 -5.02 117.98 114.02 3mv3 s PHE 1141Ca -0.05 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.93 3mv3 s PHE 1141Cb 0.16 -4.06 0.08 0.00 -0.34 0.00 0.00 43.02 38.86 3mv3 s PHE 1141CO 0.70 -4.48 0.01 0.16 -1.46 0.00 0.00 175.22 170.15 3mv3 s ASP 1142N 3.32 3.98 0.31 6.13 -4.77 -1.26 -5.03 116.67 119.35 3mv3 s ASP 1142Ca 0.79 -1.43 0.08 0.00 -3.30 0.00 0.00 52.55 48.69 3mv3 s ASP 1142Cb -0.39 -1.14 0.90 0.00 -1.09 0.00 0.00 42.92 41.20 3mv3 s ASP 1142CO 0.35 -0.31 1.45 -0.81 0.70 0.00 0.00 175.17 176.54 3mv3 n PRO 1143N 4.67 -0.07 0.00 2.11 -0.04 -1.26 -2.03 135.00 138.38 3mv3 n PRO 1143Ca -0.07 1.34 0.01 0.00 -0.04 0.00 0.00 63.50 64.74 3mv3 n PRO 1143Cb 0.43 -2.22 0.06 0.00 -0.04 0.00 0.00 33.50 31.73 3mv3 n PRO 1143CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mv3 n TYR 1144N -5.25 0.00 -4.49 0.54 4.02 -1.26 -4.86 117.16 105.85 3mv3 n TYR 1144Ca 0.27 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.90 3mv3 n TYR 1144Cb 0.88 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.10 3mv3 n TYR 1144CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mv3 s ALA 1145N -2.00 3.04 -0.37 -0.72 0.00 -0.86 -5.12 121.76 115.74 3mv3 s ALA 1145Ca 0.03 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 3mv3 s ALA 1145Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3mv3 s ALA 1145CO 0.02 0.06 0.28 0.15 0.00 0.00 0.00 175.76 176.27 3mv3 s LYS 1146N -3.65 3.31 0.20 0.00 1.02 -1.26 -5.03 119.74 114.34 3mv3 s LYS 1146Ca 0.33 -0.75 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 3mv3 s LYS 1146Cb 0.02 -3.87 0.03 0.00 -0.52 0.00 0.00 37.83 33.50 3mv3 s LYS 1146CO 0.17 -0.57 0.57 -0.59 -0.92 0.00 0.00 175.35 174.01 3mv3 s PHE 1147N 1.76 -0.21 0.20 3.18 -0.12 -1.26 -4.13 117.98 117.40 3mv3 s PHE 1147Ca 0.07 -0.13 0.11 0.00 -0.05 0.00 0.00 56.93 56.93 3mv3 s PHE 1147Cb -0.18 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3mv3 s PHE 1147CO 0.11 -0.95 -0.23 -0.51 -0.05 0.00 0.00 175.22 173.58 3mv3 s ASP 1148N -2.86 3.48 -0.20 1.98 1.01 -0.39 -4.88 116.67 114.80 3mv3 s ASP 1148Ca 0.08 -0.86 -0.14 0.00 0.71 0.00 0.00 52.55 52.33 3mv3 s ASP 1148Cb -0.02 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.59 3mv3 s ASP 1148CO -0.03 0.12 0.33 -0.63 0.21 0.00 0.00 175.17 175.16 3mv3 s ILE 1149N -1.72 5.25 0.15 0.77 1.09 -1.26 0.15 121.20 125.63 3mv3 s ILE 1149Ca 0.21 0.56 -0.31 0.00 -1.10 0.00 0.00 60.65 60.01 3mv3 s ILE 1149Cb -0.08 -3.66 -0.11 0.00 -1.06 0.00 0.00 42.46 37.56 3mv3 s ILE 1149CO 0.10 0.29 1.74 0.00 -0.10 0.00 0.00 174.94 176.97 3mv3 n ALA 1151N 4.85 2.64 0.00 0.00 0.00 -0.95 -1.21 120.51 125.84 3mv3 n ALA 1151Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3mv3 n ALA 1151Cb 0.37 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3mv3 n ALA 1151CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mv3 n ALA 1152N 0.03 2.05 -0.11 0.00 0.00 -1.26 -4.56 120.51 116.66 3mv3 n ALA 1152Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 3mv3 n ALA 1152Cb 0.32 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3mv3 n ALA 1152CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mv3 n THR 1153N -2.07 1.50 -1.21 0.00 -1.04 -1.24 -5.03 114.28 105.20 3mv3 n THR 1153Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3mv3 n THR 1153Cb 0.27 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 3mv3 n THR 1153CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3mv3 n TYR 1154N -4.41 0.00 -4.44 -1.42 0.53 -0.35 -5.03 117.16 102.04 3mv3 n TYR 1154Ca -0.31 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.28 3mv3 n TYR 1154Cb 0.64 -0.68 -0.13 0.00 -1.03 0.00 0.00 39.34 38.14 3mv3 n TYR 1154CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 3mv3 s LYS 1155N -2.26 1.63 0.52 -0.72 -0.14 -1.26 -4.89 119.74 112.61 3mv3 s LYS 1155Ca 0.00 -1.24 -0.16 0.00 -1.36 0.00 0.00 55.97 53.22 3mv3 s LYS 1155Cb 0.00 -2.01 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 3mv3 s LYS 1155CO 0.00 0.47 0.98 -1.25 -0.76 0.00 0.00 175.35 174.79 3mv3 s PRO 1156N -1.95 3.90 -0.32 -1.68 0.04 -1.26 -1.44 135.00 132.30 3mv3 s PRO 1156Ca 0.15 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.09 3mv3 s PRO 1156Cb -0.10 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.36 3mv3 s PRO 1156CO 0.07 -0.29 0.02 0.42 0.04 0.00 0.00 177.00 177.27 3mv3 s ILE 1157N -2.67 2.75 0.67 0.56 1.01 0.39 -4.85 121.20 119.07 3mv3 s ILE 1157Ca 0.58 -1.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.45 3mv3 s ILE 1157Cb -0.10 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.69 3mv3 s ILE 1157CO 0.34 -0.28 0.98 -0.31 0.00 0.00 0.00 174.94 175.67 3mv3 s TYR 1158N 1.14 3.02 0.66 3.97 1.51 -1.26 -1.27 117.35 125.12 3mv3 s TYR 1158Ca -0.01 0.50 0.41 0.00 -1.01 0.00 0.00 57.07 56.97 3mv3 s TYR 1158Cb -0.20 -3.06 2.26 0.00 -0.11 0.00 0.00 41.96 40.85 3mv3 s TYR 1158CO -0.04 -1.24 2.31 0.93 -1.11 0.00 0.00 175.55 176.40 3mv3 h GLU 1159N -0.48 0.00 -0.02 -0.62 5.08 -1.99 0.11 114.58 116.66 3mv3 h GLU 1159Ca -0.45 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.73 3mv3 h GLU 1159Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3mv3 h GLU 1159CO 0.60 0.00 -0.80 -0.44 -1.00 0.00 0.00 179.01 177.38 3mv3 h ASP 1160N 0.00 0.24 -3.84 1.42 3.32 -1.94 -3.46 116.42 112.17 3mv3 h ASP 1160Ca 0.00 -0.18 -0.53 0.00 0.02 0.00 0.00 57.03 56.34 3mv3 h ASP 1160Cb 0.09 -0.07 0.08 0.00 0.22 0.00 0.00 39.33 39.65 3mv3 h ASP 1160CO -0.00 0.94 0.71 -0.89 -1.72 0.00 0.00 179.24 178.29 3mv3 s THR 1161N -3.36 2.43 -0.35 0.35 2.01 0.36 -4.98 115.64 112.11 3mv3 s THR 1161Ca -0.03 0.42 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 3mv3 s THR 1161Cb 0.11 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.36 3mv3 s THR 1161CO 0.82 0.10 1.00 -2.16 -0.69 0.00 0.00 174.62 173.69 3mv3 s PRO 1162N -1.73 3.96 0.38 4.92 0.04 -1.26 -4.87 135.00 136.44 3mv3 s PRO 1162Ca 0.52 0.83 0.07 0.00 0.04 0.00 0.00 61.00 62.46 3mv3 s PRO 1162Cb -0.43 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.27 3mv3 s PRO 1162CO 0.56 -0.93 -0.01 -1.54 0.04 0.00 0.00 177.00 175.11 3mv3 s SER 1163N 1.79 3.64 -0.03 6.66 1.04 -1.26 -2.69 113.70 122.85 3mv3 s SER 1163Ca 0.42 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.53 3mv3 s SER 1163Cb -0.12 -0.35 0.02 0.00 0.10 0.00 0.00 66.02 65.68 3mv3 s SER 1163CO 0.17 -0.41 -0.01 0.68 0.98 0.00 0.00 173.24 174.65 3mv3 s VAL 1164N -2.76 0.26 0.53 5.02 -7.23 -0.17 -4.82 120.40 111.23 3mv3 s VAL 1164Ca 0.34 0.02 0.09 0.00 -1.81 0.00 0.00 61.98 60.62 3mv3 s VAL 1164Cb 0.08 -0.33 0.07 0.00 0.56 0.00 0.00 36.38 36.76 3mv3 s VAL 1164CO 0.17 0.15 0.73 -0.44 -0.31 0.00 0.00 175.10 175.41 3mv3 s SER 1165N 0.87 5.25 -0.19 4.85 0.01 -1.26 -0.57 113.70 122.65 3mv3 s SER 1165Ca -0.09 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.46 3mv3 s SER 1165Cb -0.13 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.14 3mv3 s SER 1165CO -0.01 -1.19 -0.18 -0.62 0.41 0.00 0.00 173.24 171.65 3mv3 s ASP 1166N -4.58 3.34 0.56 2.44 2.15 -0.83 -1.96 116.67 117.80 3mv3 s ASP 1166Ca 0.60 -0.74 0.39 0.00 0.43 0.00 0.00 52.55 53.23 3mv3 s ASP 1166Cb -0.07 -1.50 1.51 0.00 -0.30 0.00 0.00 42.92 42.57 3mv3 s ASP 1166CO 0.37 -0.03 1.66 1.55 -0.17 0.00 0.00 175.17 178.56 3mv3 h PRO 1167N 7.92 0.00 0.00 4.34 0.13 -1.83 0.40 132.00 142.97 3mv3 h PRO 1167Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3mv3 h PRO 1167Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mv3 h PRO 1167CO 0.62 0.00 -0.11 -0.11 -0.23 0.00 0.00 178.00 178.17 3mv3 n LEU 1168N -3.90 0.27 0.00 1.56 7.94 -1.26 -4.77 117.00 116.84 3mv3 n LEU 1168Ca 0.30 0.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.26 3mv3 n LEU 1168Cb 1.50 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 44.82 3mv3 n LEU 1168CO 0.38 -0.48 0.73 0.74 -1.11 0.00 0.00 177.39 177.64 3mv3 h THR 1169N -0.14 1.24 0.00 1.96 2.02 -1.92 -3.48 112.91 112.59 3mv3 h THR 1169Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3mv3 h THR 1169Cb 0.11 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3mv3 h THR 1169CO 0.00 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.69 3mv3 n GLY 1170N -0.27 0.54 3.75 2.16 0.00 0.14 -4.85 105.19 106.66 3mv3 n GLY 1170Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3mv3 n GLY 1170CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mv3 s SER 1171N -2.88 5.42 -0.01 1.61 0.01 -1.26 -4.61 113.70 111.98 3mv3 s SER 1171Ca 0.00 2.74 0.05 0.00 1.31 0.00 0.00 55.95 60.05 3mv3 s SER 1171Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3mv3 s SER 1171CO 0.00 -1.46 -0.15 -0.54 0.41 0.00 0.00 173.24 171.49 3mv3 s LYS 1172N -2.83 2.35 0.29 12.44 1.02 -1.26 -1.96 119.74 129.79 3mv3 s LYS 1172Ca 0.70 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.91 3mv3 s LYS 1172Cb -0.40 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 3mv3 s LYS 1172CO 0.48 0.59 0.13 0.71 -0.92 0.00 0.00 175.35 176.34 3mv3 s TYR 1173N -0.82 1.57 0.42 3.18 1.51 0.26 -2.25 117.35 121.23 3mv3 s TYR 1173Ca 0.13 -1.29 -0.24 0.00 -1.01 0.00 0.00 57.07 54.66 3mv3 s TYR 1173Cb -0.11 -0.88 -0.08 0.00 -0.11 0.00 0.00 41.96 40.79 3mv3 s TYR 1173CO 0.03 -0.44 1.11 0.14 -1.11 0.00 0.00 175.55 175.27 3mv3 s VAL 1174N -3.67 3.42 0.59 0.71 -7.23 -1.26 -1.00 120.40 111.97 3mv3 s VAL 1174Ca 0.36 1.10 0.29 0.00 -1.81 0.00 0.00 61.98 61.92 3mv3 s VAL 1174Cb 0.06 -3.57 0.39 0.00 0.56 0.00 0.00 36.38 33.82 3mv3 s VAL 1174CO 0.16 0.02 1.79 0.40 -0.31 0.00 0.00 175.10 177.15 3mv3 h ILE 1175N 2.11 0.29 -0.78 -0.62 1.08 -1.83 -0.95 117.51 116.81 3mv3 h ILE 1175Ca -0.49 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.10 3mv3 h ILE 1175Cb 1.23 0.50 -0.13 0.00 -3.07 0.00 0.00 36.82 35.35 3mv3 h ILE 1175CO 0.62 0.00 -0.40 0.74 -0.69 0.00 0.00 178.15 178.42 3mv3 h THR 1176N 0.00 0.07 -2.07 -0.27 2.02 -1.89 -2.99 112.91 107.77 3mv3 h THR 1176Ca 0.27 0.00 -0.78 0.00 0.77 0.00 0.00 66.41 66.67 3mv3 h THR 1176Cb 1.52 0.07 -0.22 0.00 -1.74 0.00 0.00 68.15 67.78 3mv3 h THR 1176CO -0.00 0.00 1.45 -0.62 0.37 0.00 0.00 175.52 176.71 3mv3 n GLU 1177N -5.43 4.46 -3.37 6.66 1.02 -0.36 -4.98 120.64 118.64 3mv3 n GLU 1177Ca 0.06 -4.12 -0.23 0.00 -0.02 0.00 0.00 57.16 52.85 3mv3 n GLU 1177Cb 0.36 -2.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.14 3mv3 n GLU 1177CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3mv3 s LYS 1178N -1.97 3.37 -1.30 3.49 2.20 -1.13 -4.36 119.74 120.04 3mv3 s LYS 1178Ca 0.39 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 3mv3 s LYS 1178Cb 0.11 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 3mv3 s LYS 1178CO 0.00 0.09 0.00 -0.25 -0.36 0.00 0.00 175.35 174.83 3mv3 n ASP 1179N -1.80 -3.88 -4.73 1.43 8.00 0.25 -4.94 116.55 110.88 3mv3 n ASP 1179Ca -0.04 0.25 -0.25 0.00 0.71 0.00 0.00 54.79 55.47 3mv3 n ASP 1179Cb 0.57 -3.44 -0.08 0.00 -0.02 0.00 0.00 41.12 38.15 3mv3 n ASP 1179CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mv3 s LYS 1180N -4.09 2.21 0.11 -1.24 1.02 -1.25 -4.78 119.74 111.71 3mv3 s LYS 1180Ca 0.00 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 3mv3 s LYS 1180Cb 0.00 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.28 3mv3 s LYS 1180CO 0.00 -0.09 1.14 0.96 -0.92 0.00 0.00 175.35 176.44 3mv3 s ILE 1181N -2.59 4.02 0.39 2.17 -5.25 -1.26 0.53 121.20 119.21 3mv3 s ILE 1181Ca 0.40 1.56 -0.26 0.00 -0.99 0.00 0.00 60.65 61.37 3mv3 s ILE 1181Cb 0.04 -4.00 -0.09 0.00 2.95 0.00 0.00 42.46 41.36 3mv3 s ILE 1181CO 0.22 0.18 1.22 1.51 -1.79 0.00 0.00 174.94 176.29 3mv3 s ASP 1182N 0.57 6.52 0.00 4.36 -4.77 -0.81 -4.86 116.67 117.68 3mv3 s ASP 1182Ca 0.54 2.48 0.28 0.00 -3.30 0.00 0.00 52.55 52.55 3mv3 s ASP 1182Cb -0.29 -2.63 1.47 0.00 -1.09 0.00 0.00 42.92 40.39 3mv3 s ASP 1182CO 0.32 -0.69 1.98 0.54 0.70 0.00 0.00 175.17 178.02 3mv3 n ARG 1183N 0.23 0.50 -0.02 2.11 5.12 -1.26 -4.14 116.66 119.20 3mv3 n ARG 1183Ca 0.03 0.02 -0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3mv3 n ARG 1183Cb 0.45 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.25 3mv3 n ARG 1183CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3mv3 h ILE 1184N 0.00 0.00 0.00 0.55 1.08 -1.91 -3.50 117.51 113.73 3mv3 h ILE 1184Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3mv3 h ILE 1184Cb 0.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 3mv3 h ILE 1184CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 3mv3 n ALA 1185N -2.40 0.00 0.00 1.87 0.00 -1.26 -4.94 120.51 113.78 3mv3 n ALA 1185Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3mv3 n ALA 1185Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3mv3 n ALA 1185CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3mv3 n ILE 1187N 0.00 0.00 -3.80 0.00 2.08 -1.26 -4.73 119.36 111.65 3mv3 n ILE 1187Ca 0.00 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.10 3mv3 n ILE 1187Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 3mv3 n ILE 1187CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3mv3 s SER 1188N 0.00 5.61 -0.17 4.38 1.04 -1.26 -1.59 113.70 121.71 3mv3 s SER 1188Ca 0.00 -0.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 3mv3 s SER 1188Cb 0.00 -1.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.89 3mv3 s SER 1188CO 0.00 -0.28 0.75 -0.75 0.98 0.00 0.00 173.24 173.93 3mv3 s LYS 1189N -4.01 4.28 0.17 4.02 2.20 -0.52 -1.92 119.74 123.97 3mv3 s LYS 1189Ca 0.40 0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 56.56 3mv3 s LYS 1189Cb -0.07 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 3mv3 s LYS 1189CO 0.28 -0.25 1.42 0.42 -0.36 0.00 0.00 175.35 176.85 3mv3 s ILE 1190N 1.91 3.01 0.00 5.43 1.01 0.19 -3.39 121.20 129.35 3mv3 s ILE 1190Ca 0.35 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.77 3mv3 s ILE 1190Cb -0.16 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3mv3 s ILE 1190CO 0.12 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3mv3 n GLY 1191N 3.03 2.58 3.10 6.18 0.00 -0.83 0.86 105.19 120.11 3mv3 n GLY 1191Ca 0.10 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 3mv3 n GLY 1191CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mv3 n ALA 1192N 0.00 -3.05 -2.65 4.61 0.00 -1.22 -4.90 120.51 113.30 3mv3 n ALA 1192Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 3mv3 n ALA 1192Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3mv3 n ALA 1192CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mv3 s PRO 1193N -0.98 3.81 0.10 0.00 0.04 -1.26 -4.71 135.00 132.00 3mv3 s PRO 1193Ca 0.54 0.21 0.10 0.00 0.04 0.00 0.00 61.00 61.89 3mv3 s PRO 1193Cb -0.47 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 3mv3 s PRO 1193CO 0.64 0.66 -0.26 0.00 0.04 0.00 0.00 177.00 178.08 3mv3 s ALA 1194N -0.85 2.24 -0.51 8.56 0.00 -1.26 -4.75 121.76 125.19 3mv3 s ALA 1194Ca 0.20 -1.37 0.26 0.00 0.00 0.00 0.00 51.96 51.05 3mv3 s ALA 1194Cb -0.15 -0.38 0.76 0.00 0.00 0.00 0.00 23.12 23.35 3mv3 s ALA 1194CO 0.09 0.51 1.74 0.66 0.00 0.00 0.00 175.76 178.76 3mv3 h SER 1195N 4.18 0.00 0.00 0.00 4.64 -0.17 -3.48 113.55 118.72 3mv3 h SER 1195Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3mv3 h SER 1195Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3mv3 h SER 1195CO 0.40 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3mv3 n GLY 1196N 0.89 3.64 3.60 -0.77 0.00 -0.67 -5.00 105.19 106.88 3mv3 n GLY 1196Ca 0.04 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3mv3 n GLY 1196CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mv3 s LEU 1197N 0.00 3.49 -0.09 0.99 2.96 -1.09 -4.67 118.68 120.26 3mv3 s LEU 1197Ca 0.00 1.70 -0.17 0.00 -0.22 0.00 0.00 54.13 55.44 3mv3 s LEU 1197Cb 0.00 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 3mv3 s LEU 1197CO 0.00 -1.85 0.44 -0.13 -1.32 0.00 0.00 176.35 173.49 3mv3 s ARG 1198N 6.05 4.23 0.00 1.98 0.52 -1.26 -4.87 118.95 125.60 3mv3 s ARG 1198Ca 0.93 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 3mv3 s ARG 1198Cb -0.29 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3mv3 s ARG 1198CO 0.35 0.30 0.00 -0.89 0.02 0.00 0.00 175.30 175.08 3mv3 n ILE 1199N 3.19 0.00 -2.49 1.52 5.41 -1.26 -4.74 119.36 120.99 3mv3 n ILE 1199Ca -0.09 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.25 3mv3 n ILE 1199Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.41 3mv3 n ILE 1199CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3mv3 s ARG 1200N -0.93 4.58 0.00 0.38 3.52 -1.26 -0.11 118.95 125.13 3mv3 s ARG 1200Ca 0.00 1.75 0.07 0.00 -0.13 0.00 0.00 55.73 57.42 3mv3 s ARG 1200Cb 0.00 -3.26 0.40 0.00 -1.56 0.00 0.00 34.95 30.52 3mv3 s ARG 1200CO 0.00 0.06 0.86 0.28 -0.81 0.00 0.00 175.30 175.68