#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t70 s ARG 902 N 0.00 3.00 0.00 0.03 0.52 -1.26 0.14 118.95 121.38 1t70 s ARG 902 Ca 0.00 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 1t70 s ARG 902 Cb 0.00 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 1t70 s ARG 902 CO 0.00 -0.38 -0.09 0.14 0.02 0.00 0.00 175.30 174.99 1t70 s VAL 903 N 1.41 0.72 -0.13 3.52 -7.23 -0.74 0.44 120.40 118.38 1t70 s VAL 903 Ca 0.02 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1t70 s VAL 903 Cb -0.16 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.12 1t70 s VAL 903 CO -0.02 0.12 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.64 1t70 s LEU 904 N -0.44 3.37 -0.19 1.32 2.96 -0.50 -1.11 118.68 124.09 1t70 s LEU 904 Ca 0.02 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1t70 s LEU 904 Cb -0.04 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1t70 s LEU 904 CO -0.00 0.25 -0.13 0.12 -1.32 0.00 0.00 176.35 175.27 1t70 s PHE 905 N -0.11 2.85 -0.14 5.38 2.19 -0.76 -0.23 117.98 127.15 1t70 s PHE 905 Ca 0.03 -1.25 -0.06 0.00 0.33 0.00 0.00 56.93 55.98 1t70 s PHE 905 Cb -0.13 -1.98 -0.04 0.00 -1.31 0.00 0.00 43.02 39.56 1t70 s PHE 905 CO 0.02 -0.64 0.06 0.42 1.83 0.00 0.00 175.22 176.92 1t70 s ILE 906 N 1.27 4.83 0.88 3.12 1.01 0.92 -0.47 121.20 132.76 1t70 s ILE 906 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1t70 s ILE 906 Cb -0.14 -3.13 0.12 0.00 0.01 0.00 0.00 42.46 39.33 1t70 s ILE 906 CO -0.07 0.53 1.11 -0.83 0.00 0.00 0.00 174.94 175.69 1t70 s GLY 907 N -0.27 1.60 -0.19 6.18 0.00 -0.44 -2.11 107.32 112.09 1t70 s GLY 907 Ca 0.08 -0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.40 1t70 s GLY 907 CO 0.01 0.17 0.53 1.22 0.00 0.00 0.00 173.10 175.04 1t70 n ASP 908 N -3.72 0.07 -4.69 1.64 9.92 -1.22 -4.14 116.55 114.41 1t70 n ASP 908 Ca 0.07 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 53.95 1t70 n ASP 908 Cb 0.57 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.84 1t70 n ASP 908 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1t70 s VAL 909 N 1.74 3.71 -0.33 2.53 1.01 -0.00 -2.23 120.40 126.83 1t70 s VAL 909 Ca 0.27 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.37 1t70 s VAL 909 Cb -0.26 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1t70 s VAL 909 CO 0.10 -0.00 0.03 0.12 0.00 0.00 0.00 175.10 175.35 1t70 s PHE 910 N 2.42 3.62 0.00 5.22 5.36 0.20 -1.36 117.98 133.44 1t70 s PHE 910 Ca 0.64 -2.76 0.00 0.00 -0.96 0.00 0.00 56.93 53.85 1t70 s PHE 910 Cb -0.31 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1t70 s PHE 910 CO 0.26 -0.93 0.00 0.41 -1.46 0.00 0.00 175.22 173.50 1t70 n GLY 911 N 4.34 -0.63 0.16 13.12 0.00 0.10 -2.70 105.19 119.57 1t70 n GLY 911 Ca -0.01 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1t70 n GLY 911 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t70 h GLN 912 N 0.00 0.46 -0.78 1.61 4.20 -1.92 -0.85 115.11 117.83 1t70 h GLN 912 Ca 0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1t70 h GLN 912 Cb 0.00 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1t70 h GLN 912 CO 0.00 0.34 0.51 -1.35 -0.67 0.00 0.00 178.83 177.66 1t70 h PRO 913 N 0.45 0.77 -0.07 1.46 0.11 -1.88 0.29 132.00 133.13 1t70 h PRO 913 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1t70 h PRO 913 Cb -0.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1t70 h PRO 913 CO -0.02 0.51 -0.01 0.78 -0.21 0.00 0.00 178.00 179.05 1t70 h GLY 914 N 0.80 0.14 1.38 -0.55 0.00 -1.22 -2.76 103.07 100.86 1t70 h GLY 914 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1t70 h GLY 914 CO -0.13 0.10 0.34 3.21 0.00 0.00 0.00 176.54 180.07 1t70 h ARG 915 N -0.18 0.82 0.00 4.80 3.08 -0.25 -1.96 114.38 120.69 1t70 h ARG 915 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1t70 h ARG 915 Cb 0.38 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1t70 h ARG 915 CO 0.01 0.59 0.00 -2.13 -1.07 0.00 0.00 179.97 177.36 1t70 n ARG 916 N -4.40 0.00 -0.27 0.04 0.63 0.94 -1.09 116.66 112.51 1t70 n ARG 916 Ca 0.06 0.44 0.05 0.00 -0.92 0.00 0.00 57.85 57.47 1t70 n ARG 916 Cb 0.09 -1.41 0.15 0.00 0.45 0.00 0.00 32.46 31.74 1t70 n ARG 916 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1t70 h VAL 917 N 0.00 0.28 -0.24 5.15 -1.51 -1.49 0.24 116.25 118.68 1t70 h VAL 917 Ca 0.00 -0.02 0.06 0.00 -1.23 0.00 0.00 66.70 65.50 1t70 h VAL 917 Cb 0.00 0.21 -0.06 0.00 -2.13 0.00 0.00 31.29 29.31 1t70 h VAL 917 CO 0.00 0.01 -0.13 0.25 -1.23 0.00 0.00 177.57 176.47 1t70 h LEU 918 N 0.06 -0.43 -0.82 4.19 7.12 -1.36 0.55 115.31 124.62 1t70 h LEU 918 Ca 0.42 0.10 -0.12 0.00 0.13 0.00 0.00 57.88 58.41 1t70 h LEU 918 Cb 0.73 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1t70 h LEU 918 CO -0.73 -0.17 -0.41 1.56 -0.13 0.00 0.00 178.44 178.56 1t70 h GLN 919 N -0.11 0.37 0.00 1.25 4.20 0.77 -0.86 115.11 120.74 1t70 h GLN 919 Ca 0.13 -0.19 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 1t70 h GLN 919 Cb 0.30 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1t70 h GLN 919 CO -0.31 0.73 -1.33 -0.91 -0.67 0.00 0.00 178.83 176.34 1t70 h ASN 920 N 0.31 0.00 0.00 1.46 2.35 -0.31 -3.41 115.58 115.98 1t70 h ASN 920 Ca 0.03 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.42 1t70 h ASN 920 Cb 0.86 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.16 1t70 h ASN 920 CO 0.07 0.84 -2.36 1.57 -1.65 0.00 0.00 177.43 175.90 1t70 n HIS 921 N -3.10 0.00 -0.10 1.19 -0.00 0.19 -4.54 115.22 108.86 1t70 n HIS 921 Ca -0.09 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.02 1t70 n HIS 921 Cb 0.94 -0.96 0.01 0.00 -0.12 0.00 0.00 29.99 29.85 1t70 n HIS 921 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1t70 h LEU 922 N 0.00 0.23 -2.16 0.27 6.46 -1.27 -1.59 115.31 117.25 1t70 h LEU 922 Ca -0.54 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.31 1t70 h LEU 922 Cb 2.14 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 42.04 1t70 h LEU 922 CO 0.01 0.17 0.22 1.55 -0.62 0.00 0.00 178.44 179.76 1t70 h PRO 923 N 0.34 0.00 0.00 5.25 0.13 -1.78 0.45 132.00 136.39 1t70 h PRO 923 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1t70 h PRO 923 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1t70 h PRO 923 CO -0.11 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 179.45 1t70 h THR 924 N 0.00 0.00 0.00 1.56 1.35 -1.52 -3.20 112.91 111.10 1t70 h THR 924 Ca 0.11 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1t70 h THR 924 Cb 0.54 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1t70 h THR 924 CO -0.00 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.57 1t70 n ILE 925 N -2.60 0.00 -0.29 6.82 -5.35 -0.42 -4.80 119.36 112.71 1t70 n ILE 925 Ca 0.02 -0.36 0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1t70 n ILE 925 Cb 0.30 1.12 0.24 0.00 -1.74 0.00 0.00 39.64 39.56 1t70 n ILE 925 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1t70 h ARG 926 N 0.00 0.52 0.00 6.28 1.12 -0.16 -1.55 114.38 120.59 1t70 h ARG 926 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1t70 h ARG 926 Cb 0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1t70 h ARG 926 CO 0.00 0.34 0.06 -1.35 -3.11 0.00 0.00 179.97 175.91 1t70 h PRO 927 N 0.53 0.00 -0.02 0.20 0.11 -1.85 -2.32 132.00 128.66 1t70 h PRO 927 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1t70 h PRO 927 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1t70 h PRO 927 CO -0.41 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.42 1t70 n GLN 928 N -2.99 1.38 -4.43 1.05 6.02 -0.58 -4.86 117.38 112.97 1t70 n GLN 928 Ca -0.03 -0.55 -0.21 0.00 -0.01 0.00 0.00 57.00 56.20 1t70 n GLN 928 Cb 0.12 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 1t70 n GLN 928 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1t70 s PHE 929 N -1.99 1.95 -0.11 1.08 0.08 -0.87 -4.96 117.98 113.16 1t70 s PHE 929 Ca 0.41 -0.68 0.20 0.00 0.12 0.00 0.00 56.93 56.98 1t70 s PHE 929 Cb 0.21 -1.09 -0.28 0.00 -0.57 0.00 0.00 43.02 41.28 1t70 s PHE 929 CO 0.34 0.30 0.33 -0.25 -0.10 0.00 0.00 175.22 175.83 1t70 n ASP 930 N -0.58 0.06 -3.70 1.36 8.00 0.17 -4.98 116.55 116.88 1t70 n ASP 930 Ca -0.06 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1t70 n ASP 930 Cb 0.63 1.44 -0.09 0.00 -0.02 0.00 0.00 41.12 43.08 1t70 n ASP 930 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1t70 s PHE 931 N -3.03 -0.42 -0.08 1.24 2.19 -1.01 -5.00 117.98 111.86 1t70 s PHE 931 Ca -0.08 0.90 0.02 0.00 0.33 0.00 0.00 56.93 58.09 1t70 s PHE 931 Cb 0.10 0.18 0.01 0.00 -1.31 0.00 0.00 43.02 42.01 1t70 s PHE 931 CO 0.87 -0.35 -0.13 0.08 1.83 0.00 0.00 175.22 177.52 1t70 s VAL 932 N -0.50 1.27 -0.15 3.12 1.01 -1.26 -1.41 120.40 122.47 1t70 s VAL 932 Ca -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1t70 s VAL 932 Cb -0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1t70 s VAL 932 CO 0.03 0.39 -0.04 -0.63 0.00 0.00 0.00 175.10 174.86 1t70 s ILE 933 N 0.84 3.91 -0.05 2.22 1.01 0.68 -0.27 121.20 129.54 1t70 s ILE 933 Ca -0.11 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1t70 s ILE 933 Cb -0.15 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1t70 s ILE 933 CO 0.01 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 1t70 s VAL 934 N 0.32 0.97 -0.21 2.92 1.01 0.13 -0.06 120.40 125.48 1t70 s VAL 934 Ca -0.04 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1t70 s VAL 934 Cb -0.14 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1t70 s VAL 934 CO 0.03 0.31 0.54 0.21 0.00 0.00 0.00 175.10 176.19 1t70 s ASN 935 N 0.45 6.57 -0.06 3.32 3.84 -0.90 0.46 114.94 128.62 1t70 s ASN 935 Ca -0.09 0.69 0.10 0.00 0.21 0.00 0.00 52.86 53.77 1t70 s ASN 935 Cb -0.13 -2.30 0.22 0.00 -0.55 0.00 0.00 41.25 38.50 1t70 s ASN 935 CO 0.02 -0.22 1.16 0.23 -2.79 0.00 0.00 177.10 175.50 1t70 n MET 936 N 4.97 2.56 -0.38 0.43 2.81 0.12 -0.82 117.12 126.81 1t70 n MET 936 Ca -0.04 -2.09 0.31 0.00 -1.81 0.00 0.00 57.70 54.07 1t70 n MET 936 Cb 0.50 -1.31 0.61 0.00 -0.71 0.00 0.00 33.22 32.31 1t70 n MET 936 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1t70 h GLU 937 N 0.77 0.20 -0.45 0.03 4.11 -1.80 0.11 114.58 117.55 1t70 h GLU 937 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1t70 h GLU 937 Cb 0.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1t70 h GLU 937 CO 0.04 0.13 0.00 0.09 0.07 0.00 0.00 179.01 179.33 1t70 n ASN 938 N -4.56 3.90 -0.12 3.06 3.02 -1.15 -0.43 115.26 118.99 1t70 n ASN 938 Ca 0.31 -2.43 -0.06 0.00 -0.03 0.00 0.00 54.58 52.36 1t70 n ASN 938 Cb 1.19 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.86 1t70 n ASN 938 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1t70 h SER 939 N 2.81 -0.98 -2.38 6.41 0.02 0.52 0.51 113.55 120.47 1t70 h SER 939 Ca 0.00 0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 60.56 1t70 h SER 939 Cb 1.19 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 64.09 1t70 h SER 939 CO 0.14 -0.17 1.18 0.00 -1.14 0.00 0.00 176.83 176.85 1t70 s ALA 940 N -4.69 2.57 -1.10 3.77 0.00 0.17 -2.03 121.76 120.45 1t70 s ALA 940 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1t70 s ALA 940 Cb 0.05 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1t70 s ALA 940 CO 0.30 -3.37 0.00 0.41 0.00 0.00 0.00 175.76 173.10 1t70 n GLY 941 N 5.46 0.98 0.67 0.00 0.00 -1.26 -0.54 105.19 110.50 1t70 n GLY 941 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1t70 n GLY 941 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 942 N -0.10 0.65 2.56 -0.02 0.00 -0.76 -4.81 105.19 102.70 1t70 n GLY 942 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1t70 n GLY 942 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t70 s PHE 943 N -2.28 0.66 0.00 1.61 0.08 0.30 -4.57 117.98 113.77 1t70 s PHE 943 Ca 0.00 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.84 1t70 s PHE 943 Cb 0.00 -1.05 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1t70 s PHE 943 CO 0.00 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1t70 n GLY 944 N 4.89 -2.65 2.91 4.36 0.00 0.43 -4.06 105.19 111.06 1t70 n GLY 944 Ca -0.01 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1t70 n GLY 944 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t70 s MET 945 N -0.43 1.07 0.22 1.61 1.75 -1.26 0.43 119.30 122.69 1t70 s MET 945 Ca 0.00 -0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.31 1t70 s MET 945 Cb 0.00 -1.06 0.04 0.00 2.84 0.00 0.00 34.83 36.64 1t70 s MET 945 CO 0.00 -0.11 0.30 -2.39 -0.65 0.00 0.00 175.02 172.18 1t70 n HIS 946 N 4.24 -2.78 0.05 4.11 1.44 -1.26 -3.98 115.22 117.04 1t70 n HIS 946 Ca -0.21 -0.77 -0.09 0.00 -2.01 0.00 0.00 57.72 54.64 1t70 n HIS 946 Cb 0.51 -0.21 0.06 0.00 0.12 0.00 0.00 29.99 30.46 1t70 n HIS 946 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1t70 h ARG 947 N 0.00 0.39 -0.19 -1.40 2.43 -2.00 -3.11 114.38 110.50 1t70 h ARG 947 Ca -0.10 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1t70 h ARG 947 Cb 0.46 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1t70 h ARG 947 CO 0.14 0.92 0.08 -0.44 -1.51 0.00 0.00 179.97 179.16 1t70 h ASP 948 N 0.28 0.12 0.13 -3.80 3.45 -1.99 -1.22 116.42 113.38 1t70 h ASP 948 Ca -0.02 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.47 1t70 h ASP 948 Cb 1.22 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.93 1t70 h ASP 948 CO 0.11 0.09 -0.46 0.00 -1.57 0.00 0.00 179.24 177.42 1t70 h ALA 949 N 1.10 -0.84 -0.11 3.45 0.00 -1.96 -0.07 119.26 120.84 1t70 h ALA 949 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1t70 h ALA 949 Cb 0.03 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1t70 h ALA 949 CO -0.06 -1.04 -0.13 0.00 0.00 0.00 0.00 179.25 178.02 1t70 h ALA 950 N -0.32 -0.06 -0.17 0.00 0.00 -1.46 0.03 119.26 117.28 1t70 h ALA 950 Ca 0.01 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1t70 h ALA 950 Cb 0.72 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1t70 h ALA 950 CO -0.26 -0.59 -0.33 -0.09 0.00 0.00 0.00 179.25 177.99 1t70 h ARG 951 N -0.17 -0.37 -0.70 0.00 2.43 -0.92 -1.25 114.38 113.40 1t70 h ARG 951 Ca 0.08 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1t70 h ARG 951 Cb 0.29 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1t70 h ARG 951 CO -0.21 -0.24 0.36 0.78 -1.51 0.00 0.00 179.97 179.14 1t70 h GLY 952 N -0.38 1.06 0.79 2.80 0.00 -0.73 0.30 103.07 106.91 1t70 h GLY 952 Ca 0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t70 h GLY 952 CO -0.38 0.47 0.01 0.00 0.00 0.00 0.00 176.54 176.64 1t70 h ALA 953 N 1.40 0.04 -0.41 3.60 0.00 -0.48 -0.12 119.26 123.29 1t70 h ALA 953 Ca 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1t70 h ALA 953 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1t70 h ALA 953 CO -0.04 -0.35 -0.04 -0.07 0.00 0.00 0.00 179.25 178.75 1t70 h LEU 954 N -0.17 0.66 -1.13 0.00 3.38 -1.13 -2.02 115.31 114.91 1t70 h LEU 954 Ca 0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1t70 h LEU 954 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1t70 h LEU 954 CO -0.00 0.76 -0.02 -0.08 0.09 0.00 0.00 178.44 179.19 1t70 h GLU 955 N 0.64 0.58 0.00 1.13 4.57 -0.72 -2.68 114.58 118.10 1t70 h GLU 955 Ca 0.12 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1t70 h GLU 955 Cb 0.46 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1t70 h GLU 955 CO 0.02 0.62 0.00 0.00 -1.18 0.00 0.00 179.01 178.48 1t70 h ALA 956 N 1.43 1.00 0.00 2.92 0.00 -0.34 -3.47 119.26 120.80 1t70 h ALA 956 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t70 h ALA 956 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t70 h ALA 956 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1t70 n GLY 957 N 0.66 0.03 3.73 0.00 0.00 -1.01 -3.57 105.19 105.04 1t70 n GLY 957 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1t70 n GLY 957 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t70 s ALA 958 N -0.68 3.58 -0.03 4.61 0.00 -0.84 -4.47 121.76 123.93 1t70 s ALA 958 Ca 0.00 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.34 1t70 s ALA 958 Cb 0.00 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.28 1t70 s ALA 958 CO 0.00 -0.61 0.45 0.41 0.00 0.00 0.00 175.76 176.01 1t70 n GLY 959 N 2.73 -0.94 3.30 0.00 0.00 0.63 -4.44 105.19 106.47 1t70 n GLY 959 Ca 0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1t70 n GLY 959 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t70 s LEU 961 N 0.32 2.73 0.21 0.00 1.02 -0.34 -0.69 118.68 121.94 1t70 s LEU 961 Ca -0.01 -0.47 0.07 0.00 0.02 0.00 0.00 54.13 53.74 1t70 s LEU 961 Cb -0.03 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1t70 s LEU 961 CO -0.01 -0.02 0.11 0.42 0.02 0.00 0.00 176.35 176.87 1t70 s THR 962 N 1.43 4.18 0.00 5.49 -4.23 0.17 0.05 115.64 122.73 1t70 s THR 962 Ca 0.05 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1t70 s THR 962 Cb -0.14 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1t70 s THR 962 CO -0.06 -0.22 0.00 0.18 -0.54 0.00 0.00 174.62 173.99 1t70 n LEU 963 N -0.63 0.00 0.00 4.79 4.77 -0.98 0.16 117.00 125.11 1t70 n LEU 963 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1t70 n LEU 963 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1t70 n LEU 963 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1t70 n GLY 964 N 2.36 0.45 0.00 -0.72 0.00 -1.26 -4.69 105.19 101.33 1t70 n GLY 964 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1t70 n GLY 964 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t70 n ASN 965 N 0.00 0.00 -1.22 1.61 2.85 -1.26 0.26 115.26 117.50 1t70 n ASN 965 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1t70 n ASN 965 Cb 0.00 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.10 1t70 n ASN 965 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1t70 n HIS 966 N -0.71 0.86 -0.15 1.20 8.25 -1.26 -4.51 115.22 118.89 1t70 n HIS 966 Ca 0.00 -0.66 0.24 0.00 -0.26 0.00 0.00 57.72 57.04 1t70 n HIS 966 Cb 0.00 -0.38 0.65 0.00 1.12 0.00 0.00 29.99 31.38 1t70 n HIS 966 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t70 h ALA 967 N 2.05 2.58 -0.38 -1.41 0.00 0.32 -2.64 119.26 119.78 1t70 h ALA 967 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t70 h ALA 967 Cb 1.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1t70 h ALA 967 CO 0.28 -0.81 0.00 0.91 0.00 0.00 0.00 179.25 179.63 1t70 n TRP 968 N -4.36 0.50 0.29 0.00 7.02 -1.26 -4.67 117.44 114.96 1t70 n TRP 968 Ca 0.16 -0.49 0.17 0.00 -1.02 0.00 0.00 57.50 56.33 1t70 n TRP 968 Cb 0.79 -0.02 0.67 0.00 -2.42 0.00 0.00 31.31 30.33 1t70 n TRP 968 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1t70 h HIS 969 N 2.25 0.00 -3.32 -5.99 3.86 -1.74 -3.42 115.15 106.79 1t70 h HIS 969 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1t70 h HIS 969 Cb 0.75 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.94 1t70 h HIS 969 CO 0.25 0.00 -0.79 -1.58 0.86 0.00 0.00 177.93 176.67 1t70 s HIS 970 N -3.64 2.76 0.65 2.45 5.65 -1.26 -4.89 115.29 117.01 1t70 s HIS 970 Ca 0.01 -0.73 0.38 0.00 0.25 0.00 0.00 55.06 54.98 1t70 s HIS 970 Cb 0.09 -1.82 2.14 0.00 -1.18 0.00 0.00 32.58 31.81 1t70 s HIS 970 CO 0.53 -0.25 2.26 1.57 -0.65 0.00 0.00 174.74 178.20 1t70 h LYS 971 N 6.71 0.00 0.00 2.88 -0.00 -1.90 -2.62 116.57 121.64 1t70 h LYS 971 Ca -0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.40 1t70 h LYS 971 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1t70 h LYS 971 CO 0.54 0.00 -0.04 -0.44 -0.00 0.00 0.00 179.45 179.51 1t70 h ASP 972 N 0.00 0.00 -0.64 7.07 5.19 -1.95 -2.99 116.42 123.09 1t70 h ASP 972 Ca 0.01 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1t70 h ASP 972 Cb 0.15 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1t70 h ASP 972 CO -0.00 0.04 0.40 0.40 -3.12 0.00 0.00 179.24 176.96 1t70 h ILE 973 N 0.00 1.09 -0.39 0.35 2.04 -1.59 -2.45 117.51 116.56 1t70 h ILE 973 Ca -0.00 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1t70 h ILE 973 Cb 0.08 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 1t70 h ILE 973 CO 0.01 0.14 0.06 1.88 0.00 0.00 0.00 178.15 180.24 1t70 h TYR 974 N 0.79 0.09 -0.17 1.37 0.05 -1.76 0.12 116.97 117.46 1t70 h TYR 974 Ca 0.25 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.91 1t70 h TYR 974 Cb 0.01 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1t70 h TYR 974 CO -0.05 -0.01 -0.53 -1.00 -1.05 0.00 0.00 178.16 175.52 1t70 h PRO 975 N 0.18 0.50 -0.00 4.88 0.13 -1.69 -1.03 132.00 134.96 1t70 h PRO 975 Ca 0.19 -0.30 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1t70 h PRO 975 Cb 0.24 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1t70 h PRO 975 CO -0.27 0.90 -0.03 0.52 -0.23 0.00 0.00 178.00 178.90 1t70 h MET 976 N 0.39 -0.05 0.00 0.86 2.86 -0.93 0.22 114.93 118.27 1t70 h MET 976 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1t70 h MET 976 Cb 1.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1t70 h MET 976 CO 0.10 -0.03 -0.19 -0.07 1.06 0.00 0.00 176.91 177.77 1t70 h LEU 977 N -0.05 0.00 0.27 1.22 3.38 -0.96 -2.49 115.31 116.68 1t70 h LEU 977 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1t70 h LEU 977 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1t70 h LEU 977 CO -0.03 0.19 -0.13 -1.28 0.09 0.00 0.00 178.44 177.28 1t70 h SER 978 N 0.00 -0.31 0.41 -0.43 0.87 -0.04 -3.17 113.55 110.88 1t70 h SER 978 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1t70 h SER 978 Cb 0.37 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1t70 h SER 978 CO 0.03 0.16 0.00 -1.84 -0.53 0.00 0.00 176.83 174.65 1t70 n GLU 979 N -5.04 0.13 -3.83 2.24 0.28 0.65 -4.91 120.64 110.17 1t70 n GLU 979 Ca -0.08 0.47 -0.36 0.00 -0.16 0.00 0.00 57.16 57.03 1t70 n GLU 979 Cb 0.26 -1.81 0.03 0.00 1.43 0.00 0.00 31.44 31.34 1t70 n GLU 979 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1t70 n ASP 980 N -2.08 -4.90 0.00 -1.84 2.03 -0.94 -4.92 116.55 103.89 1t70 n ASP 980 Ca 0.01 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1t70 n ASP 980 Cb 0.14 -2.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.93 1t70 n ASP 980 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1t70 n THR 981 N -4.34 0.00 -3.13 5.18 -2.24 -1.26 -5.05 114.28 103.45 1t70 n THR 981 Ca -0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1t70 n THR 981 Cb 0.58 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.88 1t70 n THR 981 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1t70 s TYR 982 N -1.91 3.42 -1.33 4.78 1.51 -1.26 -4.98 117.35 117.58 1t70 s TYR 982 Ca 0.00 1.26 -0.14 0.00 -1.01 0.00 0.00 57.07 57.17 1t70 s TYR 982 Cb 0.00 -2.56 0.10 0.00 -0.11 0.00 0.00 41.96 39.39 1t70 s TYR 982 CO 0.00 0.14 1.87 -0.35 -1.11 0.00 0.00 175.55 176.10 1t70 n PRO 983 N -0.17 3.19 -4.15 -1.71 -0.04 -1.26 -4.95 135.00 125.91 1t70 n PRO 983 Ca 0.02 -3.20 -0.36 0.00 -0.04 0.00 0.00 63.50 59.92 1t70 n PRO 983 Cb 0.53 -3.24 -0.08 0.00 -0.04 0.00 0.00 33.50 30.66 1t70 n PRO 983 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1t70 s ILE 984 N 2.71 4.85 -0.01 0.52 1.01 -1.26 -1.19 121.20 127.82 1t70 s ILE 984 Ca 0.47 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.13 1t70 s ILE 984 Cb 0.07 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1t70 s ILE 984 CO -0.00 0.61 -0.16 -0.69 0.00 0.00 0.00 174.94 174.70 1t70 s VAL 985 N -0.95 1.28 0.28 2.92 1.01 0.11 -4.62 120.40 120.43 1t70 s VAL 985 Ca 0.14 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1t70 s VAL 985 Cb -0.12 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1t70 s VAL 985 CO 0.03 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1t70 s ARG 986 N -0.37 1.53 0.06 2.72 1.04 -0.70 -2.32 118.95 120.91 1t70 s ARG 986 Ca 0.06 -1.81 -0.38 0.00 -1.04 0.00 0.00 55.73 52.57 1t70 s ARG 986 Cb -0.06 -0.91 -0.17 0.00 -2.04 0.00 0.00 34.95 31.77 1t70 s ARG 986 CO -0.01 -0.08 1.28 -2.30 -0.04 0.00 0.00 175.30 174.16 1t70 n PRO 987 N -0.58 0.88 0.05 3.89 -0.02 -1.26 -3.98 135.00 133.98 1t70 n PRO 987 Ca -0.04 0.32 -0.20 0.00 -2.02 0.00 0.00 63.50 61.55 1t70 n PRO 987 Cb 0.65 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 32.09 1t70 n PRO 987 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t70 h LEU 988 N 4.23 0.87 -1.95 2.45 5.85 -1.14 -3.34 115.31 122.28 1t70 h LEU 988 Ca -0.48 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.48 1t70 h LEU 988 Cb 1.36 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1t70 h LEU 988 CO 0.75 1.53 0.00 -0.46 -0.34 0.00 0.00 178.44 179.92 1t70 n ASN 989 N -3.88 1.35 -4.57 1.25 6.94 -1.26 -4.66 115.26 110.43 1t70 n ASN 989 Ca -0.12 -0.93 -0.42 0.00 -0.02 0.00 0.00 54.58 53.09 1t70 n ASN 989 Cb 0.89 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 38.01 1t70 n ASN 989 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1t70 s TYR 990 N 0.46 3.13 0.25 -2.53 2.02 -1.25 -0.77 117.35 118.65 1t70 s TYR 990 Ca 0.00 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1t70 s TYR 990 Cb 0.00 -3.25 0.32 0.00 -0.40 0.00 0.00 41.96 38.63 1t70 s TYR 990 CO 0.00 -0.69 1.72 0.00 -1.57 0.00 0.00 175.55 175.00 1t70 h ALA 991 N 8.53 1.05 -1.39 3.71 0.00 -1.95 -3.44 119.26 125.76 1t70 h ALA 991 Ca -0.26 -0.31 -0.72 0.00 0.00 0.00 0.00 54.91 53.62 1t70 h ALA 991 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1t70 h ALA 991 CO 0.87 0.58 1.05 -3.47 0.00 0.00 0.00 179.25 178.27 1t70 n ASP 992 N -4.17 2.31 0.18 0.00 2.03 -1.26 -4.76 116.55 110.88 1t70 n ASP 992 Ca 0.01 0.91 0.13 0.00 0.52 0.00 0.00 54.79 56.36 1t70 n ASP 992 Cb 0.36 -1.16 0.64 0.00 -0.72 0.00 0.00 41.12 40.24 1t70 n ASP 992 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1t70 h PRO 993 N 8.51 0.00 -0.37 -0.67 0.11 -2.03 -1.72 132.00 135.83 1t70 h PRO 993 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1t70 h PRO 993 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1t70 h PRO 993 CO 0.98 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 1t70 n GLY 994 N -0.96 1.63 3.68 -0.55 0.00 -1.26 -4.97 105.19 102.76 1t70 n GLY 994 Ca -0.01 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 1t70 n GLY 994 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t70 n THR 995 N 1.42 0.10 -1.71 2.61 -2.24 -0.65 -4.92 114.28 108.89 1t70 n THR 995 Ca 0.19 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.57 1t70 n THR 995 Cb 0.59 -1.71 0.04 0.00 -2.10 0.00 0.00 70.33 67.15 1t70 n THR 995 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t70 n PRO 996 N 4.09 1.57 0.00 -0.78 -0.02 -1.26 -4.84 135.00 133.76 1t70 n PRO 996 Ca 0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1t70 n PRO 996 Cb 0.31 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1t70 n PRO 996 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t70 n GLY 997 N 0.86 -1.20 3.45 -1.23 0.00 -1.26 -4.95 105.19 100.87 1t70 n GLY 997 Ca 0.11 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1t70 n GLY 997 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t70 s VAL 998 N 0.00 2.19 -2.25 1.61 -7.23 -1.26 -5.03 120.40 108.43 1t70 s VAL 998 Ca 0.00 -2.30 0.23 0.00 -1.81 0.00 0.00 61.98 58.10 1t70 s VAL 998 Cb 0.00 -2.31 0.51 0.00 0.56 0.00 0.00 36.38 35.14 1t70 s VAL 998 CO 0.00 -0.40 1.45 0.61 -0.31 0.00 0.00 175.10 176.45 1t70 n GLY 999 N -0.59 2.04 3.57 2.32 0.00 -1.26 -1.72 105.19 109.56 1t70 n GLY 999 Ca -0.06 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1t70 n GLY 999 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1t70 s TRP 1000N -1.29 -0.41 -0.08 1.61 1.48 -1.26 -2.33 118.94 116.66 1t70 s TRP 1000Ca 0.43 0.72 -0.09 0.00 -1.06 0.00 0.00 56.10 56.09 1t70 s TRP 1000Cb 0.24 0.44 0.02 0.00 -1.16 0.00 0.00 33.47 33.01 1t70 s TRP 1000CO 0.32 -0.38 0.25 1.03 -4.06 0.00 0.00 176.95 174.11 1t70 s ARG 1001N -1.08 0.34 -0.11 3.25 0.52 -1.10 -5.01 118.95 115.76 1t70 s ARG 1001Ca -0.03 0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1t70 s ARG 1001Cb -0.01 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 1t70 s ARG 1001CO 0.03 -0.05 -0.08 0.95 0.02 0.00 0.00 175.30 176.17 1t70 s THR 1002N -0.12 3.58 0.35 0.02 -4.23 -1.26 -1.76 115.64 112.22 1t70 s THR 1002Ca -0.02 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.08 1t70 s THR 1002Cb -0.03 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 1t70 s THR 1002CO 0.01 0.55 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.27 1t70 s PHE 1003N -0.18 2.51 -0.32 3.99 0.08 0.53 -4.92 117.98 119.67 1t70 s PHE 1003Ca 0.02 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.49 1t70 s PHE 1003Cb -0.13 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1t70 s PHE 1003CO 0.03 0.49 0.15 -0.51 -0.10 0.00 0.00 175.22 175.27 1t70 s ASP 1004N -3.70 5.52 -0.25 1.36 -0.00 -1.26 -0.80 116.67 117.54 1t70 s ASP 1004Ca 0.35 -0.60 -0.17 0.00 -0.00 0.00 0.00 52.55 52.13 1t70 s ASP 1004Cb 0.02 -1.99 -0.15 0.00 -0.00 0.00 0.00 42.92 40.80 1t70 s ASP 1004CO 0.19 -0.22 -0.12 0.52 -0.00 0.00 0.00 175.17 175.54 1t70 n VAL 1005N 4.97 1.53 -2.84 -1.27 0.31 -0.61 -4.81 118.33 115.60 1t70 n VAL 1005Ca -0.14 -0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 1t70 n VAL 1005Cb 0.49 -1.93 0.05 0.00 -0.91 0.00 0.00 33.84 31.53 1t70 n VAL 1005CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1t70 n ASN 1006N -4.30 -0.80 0.00 4.52 3.02 -1.26 -4.86 115.26 111.58 1t70 n ASN 1006Ca -0.46 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 1t70 n ASN 1006Cb 0.81 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 1t70 n ASN 1006CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t70 n GLY 1007N 0.09 0.85 3.50 7.41 0.00 -1.26 -4.99 105.19 110.79 1t70 n GLY 1007Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1t70 n GLY 1007CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t70 s GLU 1008N -0.11 1.83 -0.14 1.61 2.02 -1.26 -5.12 118.70 117.54 1t70 s GLU 1008Ca 0.00 -1.22 -0.22 0.00 0.02 0.00 0.00 54.97 53.55 1t70 s GLU 1008Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 1t70 s GLU 1008CO 0.00 0.47 0.66 0.15 0.02 0.00 0.00 175.26 176.56 1t70 s LYS 1009N -2.33 4.32 -0.25 1.61 1.02 -1.26 -1.58 119.74 121.28 1t70 s LYS 1009Ca 0.20 0.75 0.02 0.00 0.02 0.00 0.00 55.97 56.96 1t70 s LYS 1009Cb -0.10 -3.51 0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1t70 s LYS 1009CO 0.11 -0.09 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.18 1t70 s LEU 1010N 1.38 3.10 -0.18 3.17 2.96 0.02 -0.57 118.68 128.56 1t70 s LEU 1010Ca 0.33 -1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 52.89 1t70 s LEU 1010Cb -0.16 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1t70 s LEU 1010CO 0.13 -0.19 0.06 -0.89 -1.32 0.00 0.00 176.35 174.15 1t70 s THR 1011N 1.20 4.82 -0.16 3.68 2.01 0.13 -0.35 115.64 126.96 1t70 s THR 1011Ca -0.07 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1t70 s THR 1011Cb -0.19 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 1t70 s THR 1011CO -0.06 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 1t70 s VAL 1012N 0.26 2.86 0.04 3.82 1.01 -0.72 -0.54 120.40 127.13 1t70 s VAL 1012Ca 0.04 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1t70 s VAL 1012Cb -0.12 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1t70 s VAL 1012CO 0.00 0.50 -0.22 0.54 0.00 0.00 0.00 175.10 175.92 1t70 s VAL 1013N 0.86 2.46 -0.07 2.92 0.11 -0.12 -2.70 120.40 123.85 1t70 s VAL 1013Ca -0.04 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1t70 s VAL 1013Cb -0.15 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.68 1t70 s VAL 1013CO -0.00 0.36 -0.06 0.21 -3.33 0.00 0.00 175.10 172.27 1t70 s ASN 1014N -1.32 4.68 0.03 3.54 2.47 -0.98 -0.95 114.94 122.42 1t70 s ASN 1014Ca 0.13 -0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.37 1t70 s ASN 1014Cb -0.10 -1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 38.48 1t70 s ASN 1014CO 0.03 0.36 0.03 -0.76 -3.72 0.00 0.00 177.10 173.04 1t70 s LEU 1015N -0.78 2.07 -0.09 3.21 1.43 -0.37 -0.75 118.68 123.39 1t70 s LEU 1015Ca 0.12 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1t70 s LEU 1015Cb -0.11 0.36 -0.01 0.00 0.03 0.00 0.00 46.19 46.46 1t70 s LEU 1015CO 0.02 -0.45 -0.21 -0.76 0.23 0.00 0.00 176.35 175.18 1t70 s LEU 1016N -2.00 2.29 0.85 1.79 1.43 -1.26 -0.15 118.68 121.62 1t70 s LEU 1016Ca -0.07 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1t70 s LEU 1016Cb -0.03 -1.46 0.13 0.00 0.03 0.00 0.00 46.19 44.86 1t70 s LEU 1016CO -0.04 0.19 1.19 -0.83 0.23 0.00 0.00 176.35 177.09 1t70 s GLY 1017N 0.16 1.71 0.00 -3.19 0.00 -0.78 -4.55 107.32 100.68 1t70 s GLY 1017Ca -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1t70 s GLY 1017CO 0.06 -0.47 0.00 0.54 0.00 0.00 0.00 173.10 173.24 1t70 n ARG 1018N -3.38 2.44 -1.69 2.90 1.74 -1.26 -4.79 116.66 112.62 1t70 n ARG 1018Ca 0.12 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.77 1t70 n ARG 1018Cb 0.60 -0.85 -0.03 0.00 -1.02 0.00 0.00 32.46 31.16 1t70 n ARG 1018CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1t70 n VAL 1019N -1.38 0.35 -1.63 1.55 0.31 -1.26 -0.00 118.33 116.27 1t70 n VAL 1019Ca 0.00 -0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.12 1t70 n VAL 1019Cb 0.22 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.03 1t70 n VAL 1019CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1t70 n PHE 1020N 5.54 -0.17 -4.27 3.52 3.72 -1.26 -4.17 117.46 120.38 1t70 n PHE 1020Ca 0.18 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.40 1t70 n PHE 1020Cb 0.36 -2.70 -0.08 0.00 -0.94 0.00 0.00 39.48 36.12 1t70 n PHE 1020CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1t70 s MET 1021N -3.59 1.69 0.43 -1.08 -1.94 0.99 -4.99 119.30 110.82 1t70 s MET 1021Ca 0.00 -1.96 -0.25 0.00 -1.71 0.00 0.00 55.69 51.77 1t70 s MET 1021Cb 0.00 0.32 -0.08 0.00 2.01 0.00 0.00 34.83 37.08 1t70 s MET 1021CO 0.00 -0.62 1.24 -2.00 -0.01 0.00 0.00 175.02 173.63 1t70 s GLU 1022N -3.53 3.83 -0.14 2.03 2.12 -1.26 -4.89 118.70 116.86 1t70 s GLU 1022Ca 0.40 2.00 -0.29 0.00 0.36 0.00 0.00 54.97 57.44 1t70 s GLU 1022Cb 0.03 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1t70 s GLU 1022CO 0.26 -0.55 1.18 0.00 -0.54 0.00 0.00 175.26 175.60 1t70 s ALA 1023N -1.37 3.59 0.00 6.30 0.00 -1.26 -4.72 121.76 124.30 1t70 s ALA 1023Ca 0.60 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1t70 s ALA 1023Cb -0.34 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1t70 s ALA 1023CO 0.43 -0.97 0.00 1.33 0.00 0.00 0.00 175.76 176.54 1t70 n VAL 1024N 5.06 0.00 -1.60 0.00 0.24 -1.26 -5.08 118.33 115.69 1t70 n VAL 1024Ca 0.12 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.09 1t70 n VAL 1024Cb 0.46 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.89 1t70 n VAL 1024CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1t70 s ASP 1025N 0.15 4.77 -0.32 -1.34 -0.00 0.05 -4.90 116.67 115.08 1t70 s ASP 1025Ca 0.00 2.06 -0.28 0.00 -0.00 0.00 0.00 52.55 54.33 1t70 s ASP 1025Cb 0.00 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 1t70 s ASP 1025CO 0.00 -1.86 2.07 0.21 -0.00 0.00 0.00 175.17 175.59 1t70 s ASN 1026N -2.56 5.47 0.40 0.27 3.84 -1.26 -4.86 114.94 116.23 1t70 s ASN 1026Ca 0.68 1.47 0.07 0.00 0.21 0.00 0.00 52.86 55.29 1t70 s ASN 1026Cb -0.22 -2.52 0.84 0.00 -0.55 0.00 0.00 41.25 38.80 1t70 s ASN 1026CO 0.44 -2.02 2.02 1.55 -2.79 0.00 0.00 177.10 176.30 1t70 h PRO 1027N 14.86 0.59 0.76 0.43 0.13 -1.91 -0.46 132.00 146.40 1t70 h PRO 1027Ca -0.35 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1t70 h PRO 1027Cb 1.21 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1t70 h PRO 1027CO 1.03 0.39 -0.36 0.74 -0.23 0.00 0.00 178.00 179.57 1t70 h PHE 1028N 0.61 -0.94 0.00 1.56 0.04 -1.94 -1.71 116.94 114.56 1t70 h PHE 1028Ca 0.22 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 1t70 h PHE 1028Cb 0.12 0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1t70 h PHE 1028CO -0.00 -0.57 -0.15 0.00 -0.60 0.00 0.00 178.31 176.99 1t70 h ARG 1029N -1.22 0.00 -0.33 1.51 3.08 -1.96 -2.53 114.38 112.94 1t70 h ARG 1029Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1t70 h ARG 1029Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1t70 h ARG 1029CO 0.17 0.15 0.11 1.15 -1.07 0.00 0.00 179.97 180.48 1t70 h THR 1030N 0.00 1.20 -0.64 2.04 2.02 -0.91 -2.78 112.91 113.83 1t70 h THR 1030Ca -0.00 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1t70 h THR 1030Cb 0.41 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1t70 h THR 1030CO 0.02 0.22 0.09 0.24 0.37 0.00 0.00 175.52 176.46 1t70 h MET 1031N 0.38 1.06 -0.93 6.66 2.86 -0.90 -2.37 114.93 121.70 1t70 h MET 1031Ca 0.11 -0.28 0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1t70 h MET 1031Cb 0.23 -0.13 -0.10 0.00 0.06 0.00 0.00 31.60 31.67 1t70 h MET 1031CO -0.01 0.98 0.53 -0.44 1.06 0.00 0.00 176.91 179.03 1t70 h ASP 1032N 0.99 0.69 0.06 1.22 3.45 -1.31 0.12 116.42 121.64 1t70 h ASP 1032Ca 0.20 0.08 -0.18 0.00 0.43 0.00 0.00 57.03 57.56 1t70 h ASP 1032Cb 0.44 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 1t70 h ASP 1032CO 0.01 0.30 -0.65 0.00 -1.57 0.00 0.00 179.24 177.33 1t70 h ALA 1033N 1.58 0.59 0.00 3.45 0.00 -1.20 -3.05 119.26 120.62 1t70 h ALA 1033Ca 0.50 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1t70 h ALA 1033Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1t70 h ALA 1033CO -0.35 0.71 -0.52 1.25 0.00 0.00 0.00 179.25 180.35 1t70 h LEU 1034N 0.41 0.00 0.00 0.00 5.85 -0.78 -2.88 115.31 117.91 1t70 h LEU 1034Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1t70 h LEU 1034Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1t70 h LEU 1034CO 0.12 0.52 0.00 0.18 -0.34 0.00 0.00 178.44 178.92 1t70 n LEU 1035N -3.69 0.00 0.06 2.25 4.77 0.32 -2.67 117.00 118.04 1t70 n LEU 1035Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1t70 n LEU 1035Cb 0.57 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.84 1t70 n LEU 1035CO 0.40 0.00 0.36 -0.62 -1.33 0.00 0.00 177.39 176.20 1t70 n GLU 1036N -0.84 0.29 -1.42 3.23 -0.58 -1.09 -4.88 120.64 115.36 1t70 n GLU 1036Ca 0.14 0.09 -0.30 0.00 -0.42 0.00 0.00 57.16 56.66 1t70 n GLU 1036Cb 0.06 -1.69 0.09 0.00 -0.57 0.00 0.00 31.44 29.34 1t70 n GLU 1036CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1t70 s ARG 1037N -3.16 2.11 -0.01 3.49 0.52 -1.09 -5.00 118.95 115.81 1t70 s ARG 1037Ca 0.06 0.85 0.09 0.00 -0.52 0.00 0.00 55.73 56.21 1t70 s ARG 1037Cb 0.13 -1.90 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 1t70 s ARG 1037CO 0.72 -1.66 0.22 -0.25 0.02 0.00 0.00 175.30 174.35 1t70 n ASP 1038N -3.49 2.50 -0.59 0.23 8.00 -1.26 -4.62 116.55 117.32 1t70 n ASP 1038Ca 0.08 -0.14 0.02 0.00 0.71 0.00 0.00 54.79 55.46 1t70 n ASP 1038Cb 0.55 1.32 0.09 0.00 -0.02 0.00 0.00 41.12 43.06 1t70 n ASP 1038CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t70 n ASP 1039N -1.69 1.55 0.05 -2.24 3.85 -1.26 -4.46 116.55 112.36 1t70 n ASP 1039Ca -0.01 -2.11 -0.20 0.00 -0.71 0.00 0.00 54.79 51.75 1t70 n ASP 1039Cb 0.21 -0.34 -0.10 0.00 -1.35 0.00 0.00 41.12 39.53 1t70 n ASP 1039CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1t70 h LEU 1040N 0.97 0.88 0.00 -2.12 3.38 -1.97 -3.49 115.31 112.97 1t70 h LEU 1040Ca 0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1t70 h LEU 1040Cb 0.56 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1t70 h LEU 1040CO 0.06 1.53 0.00 0.61 0.09 0.00 0.00 178.44 180.73 1t70 n GLY 1041N 1.12 1.93 3.69 0.83 0.00 -1.26 -3.69 105.19 107.82 1t70 n GLY 1041Ca -0.11 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1t70 n GLY 1041CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t70 s THR 1042N 0.00 4.79 -0.16 2.61 2.01 0.26 -4.90 115.64 120.26 1t70 s THR 1042Ca 0.00 2.03 -0.04 0.00 0.31 0.00 0.00 61.69 63.99 1t70 s THR 1042Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1t70 s THR 1042CO 0.00 0.05 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.26 1t70 s VAL 1043N 1.72 3.97 -0.13 3.82 1.01 -1.26 0.19 120.40 129.72 1t70 s VAL 1043Ca 0.50 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1t70 s VAL 1043Cb -0.19 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1t70 s VAL 1043CO 0.21 0.49 -0.22 0.12 0.00 0.00 0.00 175.10 175.70 1t70 s PHE 1044N 0.38 2.60 -0.14 5.22 2.19 0.30 -0.77 117.98 127.76 1t70 s PHE 1044Ca -0.03 -1.27 -0.03 0.00 0.33 0.00 0.00 56.93 55.93 1t70 s PHE 1044Cb -0.14 -1.77 -0.02 0.00 -1.31 0.00 0.00 43.02 39.78 1t70 s PHE 1044CO 0.03 -0.58 -0.06 0.08 1.83 0.00 0.00 175.22 176.52 1t70 s VAL 1045N 0.76 3.67 -0.56 3.12 1.01 -0.18 -0.95 120.40 127.28 1t70 s VAL 1045Ca -0.09 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1t70 s VAL 1045Cb -0.16 -2.59 0.14 0.00 0.00 0.00 0.00 36.38 33.78 1t70 s VAL 1045CO -0.00 0.51 0.44 -0.62 0.00 0.00 0.00 175.10 175.42 1t70 s ASP 1046N 0.28 5.78 -0.51 3.32 3.68 -0.13 -1.29 116.67 127.80 1t70 s ASP 1046Ca -0.05 -2.24 -0.22 0.00 2.13 0.00 0.00 52.55 52.18 1t70 s ASP 1046Cb -0.14 -2.01 0.05 0.00 -1.45 0.00 0.00 42.92 39.36 1t70 s ASP 1046CO 0.04 -0.61 0.77 0.12 0.13 0.00 0.00 175.17 175.61 1t70 s PHE 1047N 0.87 2.94 -0.76 -5.34 5.36 -0.85 -1.23 117.98 118.97 1t70 s PHE 1047Ca 0.10 -0.24 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 1t70 s PHE 1047Cb -0.22 -3.75 0.12 0.00 -0.34 0.00 0.00 43.02 38.83 1t70 s PHE 1047CO -0.03 -1.15 0.91 -1.58 -1.46 0.00 0.00 175.22 171.92 1t70 s HIS 1048N 3.23 3.10 0.20 10.12 5.65 0.79 -1.56 115.29 136.81 1t70 s HIS 1048Ca 0.23 -1.20 -0.01 0.00 0.25 0.00 0.00 55.06 54.33 1t70 s HIS 1048Cb -0.16 -4.13 -0.04 0.00 -1.18 0.00 0.00 32.58 27.07 1t70 s HIS 1048CO 0.16 -1.38 0.14 0.00 -0.65 0.00 0.00 174.74 173.01 1t70 s ALA 1049N 2.56 1.12 -0.26 1.58 0.00 -1.12 -1.87 121.76 123.77 1t70 s ALA 1049Ca 0.22 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1t70 s ALA 1049Cb -0.14 1.38 -0.13 0.00 0.00 0.00 0.00 23.12 24.23 1t70 s ALA 1049CO -0.01 -0.60 -0.30 -1.91 0.00 0.00 0.00 175.76 172.95 1t70 n GLU 1050N -0.27 0.58 -2.53 0.00 4.07 -1.26 -4.41 120.64 116.81 1t70 n GLU 1050Ca 0.02 0.21 -0.40 0.00 -0.06 0.00 0.00 57.16 56.92 1t70 n GLU 1050Cb 0.66 -1.45 -0.05 0.00 -0.06 0.00 0.00 31.44 30.54 1t70 n GLU 1050CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t70 s ALA 1051N -2.48 3.39 0.17 4.31 0.00 -1.26 -4.95 121.76 120.93 1t70 s ALA 1051Ca -0.35 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.52 1t70 s ALA 1051Cb 0.12 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1t70 s ALA 1051CO 0.50 -0.11 1.41 1.79 0.00 0.00 0.00 175.76 179.35 1t70 h THR 1052N 3.25 1.58 -0.45 0.00 1.35 -1.98 -2.51 112.91 114.16 1t70 h THR 1052Ca -0.46 -2.89 -0.04 0.00 -0.55 0.00 0.00 66.41 62.47 1t70 h THR 1052Cb 1.21 2.57 -0.02 0.00 -1.73 0.00 0.00 68.15 70.18 1t70 h THR 1052CO 0.68 0.82 0.13 0.77 -0.25 0.00 0.00 175.52 177.67 1t70 h SER 1053N 0.00 0.66 -0.49 5.36 4.64 -1.99 -0.61 113.55 121.12 1t70 h SER 1053Ca -0.01 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 1t70 h SER 1053Cb 1.50 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1t70 h SER 1053CO 0.11 0.71 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.68 1t70 h GLU 1054N 0.58 0.93 -0.31 4.77 4.81 -1.95 -2.11 114.58 121.30 1t70 h GLU 1054Ca 0.14 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 1t70 h GLU 1054Cb 0.29 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1t70 h GLU 1054CO -0.00 0.93 -0.37 0.87 -0.73 0.00 0.00 179.01 179.71 1t70 h LYS 1055N 0.85 0.80 -0.17 1.92 1.57 -1.24 -2.33 116.57 117.98 1t70 h LYS 1055Ca 0.16 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 1t70 h LYS 1055Cb 0.53 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1t70 h LYS 1055CO 0.03 1.08 -0.30 0.93 -0.57 0.00 0.00 179.45 180.61 1t70 h GLU 1056N 0.57 0.32 -0.37 3.15 5.08 -1.02 -2.46 114.58 119.85 1t70 h GLU 1056Ca 0.04 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1t70 h GLU 1056Cb 0.96 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1t70 h GLU 1056CO 0.09 0.60 -0.15 0.00 -1.00 0.00 0.00 179.01 178.55 1t70 h ALA 1057N 1.40 0.51 -0.64 3.43 0.00 -1.32 -2.50 119.26 120.15 1t70 h ALA 1057Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t70 h ALA 1057Cb 0.68 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1t70 h ALA 1057CO 0.05 0.42 0.40 1.98 0.00 0.00 0.00 179.25 182.10 1t70 h MET 1058N 0.54 0.86 -0.31 0.00 1.85 -1.16 0.25 114.93 116.95 1t70 h MET 1058Ca 0.09 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1t70 h MET 1058Cb 0.68 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 1t70 h MET 1058CO 0.05 0.60 0.16 0.78 -0.40 0.00 0.00 176.91 178.10 1t70 h GLY 1059N 0.87 0.42 1.89 1.39 0.00 -1.36 -0.54 103.07 105.74 1t70 h GLY 1059Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1t70 h GLY 1059CO -0.05 0.10 -0.25 1.49 0.00 0.00 0.00 176.54 177.83 1t70 h TRP 1060N 0.34 0.14 -0.16 5.60 -0.00 -1.00 0.14 115.95 121.01 1t70 h TRP 1060Ca 0.13 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 58.84 1t70 h TRP 1060Cb 0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1t70 h TRP 1060CO -0.09 0.37 -0.56 1.25 -0.00 0.00 0.00 178.44 179.40 1t70 h HIS 1061N 0.12 0.60 -0.02 0.49 2.76 0.27 -3.25 115.15 116.13 1t70 h HIS 1061Ca 0.02 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1t70 h HIS 1061Cb 0.51 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1t70 h HIS 1061CO 0.00 0.93 -0.47 1.28 -1.30 0.00 0.00 177.93 178.38 1t70 n LEU 1062N -3.94 1.97 -4.68 0.26 4.32 -0.29 -4.95 117.00 109.70 1t70 n LEU 1062Ca -0.03 -0.73 -0.50 0.00 -0.02 0.00 0.00 56.01 54.74 1t70 n LEU 1062Cb 0.61 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1t70 n LEU 1062CO 0.46 0.37 1.35 0.00 -1.22 0.00 0.00 177.39 178.35 1t70 n ALA 1063N -0.06 0.66 -0.54 -1.18 0.00 0.02 -0.60 120.51 118.80 1t70 n ALA 1063Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1t70 n ALA 1063Cb 0.46 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1t70 n ALA 1063CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t70 n GLY 1064N 3.99 0.82 0.00 0.00 0.00 -1.26 -4.81 105.19 103.93 1t70 n GLY 1064Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1t70 n GLY 1064CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t70 n ARG 1065N -2.00 3.84 -4.04 1.61 1.74 0.23 -4.99 116.66 113.04 1t70 n ARG 1065Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1t70 n ARG 1065Cb 0.00 -0.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.65 1t70 n ARG 1065CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1t70 s VAL 1066N -1.33 0.40 -0.50 1.55 1.01 -0.96 -4.85 120.40 115.73 1t70 s VAL 1066Ca 0.00 -1.11 0.24 0.00 0.00 0.00 0.00 61.98 61.11 1t70 s VAL 1066Cb 0.00 -0.60 0.32 0.00 0.00 0.00 0.00 36.38 36.09 1t70 s VAL 1066CO 0.00 -0.47 1.63 0.00 0.00 0.00 0.00 175.10 176.26 1t70 h ALA 1067N 4.39 0.98 -1.64 5.51 0.00 -1.03 -3.36 119.26 124.11 1t70 h ALA 1067Ca -0.35 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1t70 h ALA 1067Cb 1.20 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 1t70 h ALA 1067CO 0.43 0.00 0.47 0.00 0.00 0.00 0.00 179.25 180.16 1t70 s ALA 1068N -3.19 -1.90 -0.31 0.00 0.00 -1.15 -0.95 121.76 114.26 1t70 s ALA 1068Ca 0.08 1.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.57 1t70 s ALA 1068Cb 0.07 -0.63 0.11 0.00 0.00 0.00 0.00 23.12 22.67 1t70 s ALA 1068CO 0.66 -0.32 0.15 0.08 0.00 0.00 0.00 175.76 176.33 1t70 s VAL 1069N -1.03 0.06 -0.19 0.00 1.01 0.23 -1.01 120.40 119.48 1t70 s VAL 1069Ca -0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1t70 s VAL 1069Cb -0.01 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1t70 s VAL 1069CO 0.03 -0.78 -0.02 -0.63 0.00 0.00 0.00 175.10 173.70 1t70 s ILE 1070N 1.83 3.88 0.57 2.22 1.09 -0.41 -2.80 121.20 127.58 1t70 s ILE 1070Ca 0.11 -0.35 -0.15 0.00 -1.10 0.00 0.00 60.65 59.17 1t70 s ILE 1070Cb -0.18 -2.74 -0.05 0.00 -1.06 0.00 0.00 42.46 38.43 1t70 s ILE 1070CO -0.28 0.45 1.02 -0.83 -0.10 0.00 0.00 174.94 175.19 1t70 s GLY 1071N 0.86 1.98 0.32 6.18 0.00 -0.07 -2.00 107.32 114.60 1t70 s GLY 1071Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.93 1t70 s GLY 1071CO 0.02 0.47 0.36 -1.30 0.00 0.00 0.00 173.10 172.65 1t70 n THR 1072N -2.02 0.00 0.00 0.90 -2.24 -0.60 0.05 114.28 110.36 1t70 n THR 1072Ca 0.07 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 1t70 n THR 1072Cb 0.54 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1t70 n THR 1072CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1t70 n HIS 1073N -0.58 0.00 1.29 4.78 -0.00 -1.26 -2.80 115.22 116.65 1t70 n HIS 1073Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.89 1t70 n HIS 1073Cb 0.57 0.00 0.35 0.00 -0.00 0.00 0.00 29.99 30.91 1t70 n HIS 1073CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1t70 n THR 1074N -0.04 0.00 -0.44 3.57 -2.24 -1.26 -4.94 114.28 108.93 1t70 n THR 1074Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1t70 n THR 1074Cb 0.00 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1t70 n THR 1074CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t70 n HIS 1075N 0.23 0.00 -4.25 4.78 -0.00 -1.26 -4.95 115.22 109.77 1t70 n HIS 1075Ca 0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.55 1t70 n HIS 1075Cb 0.42 -1.33 -0.16 0.00 -0.00 0.00 0.00 29.99 28.92 1t70 n HIS 1075CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1t70 s VAL 1076N -1.17 2.06 0.51 1.59 1.01 -1.26 -2.96 120.40 120.17 1t70 s VAL 1076Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1t70 s VAL 1076Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1t70 s VAL 1076CO 0.00 0.54 1.29 -2.16 0.00 0.00 0.00 175.10 174.77 1t70 s PRO 1077N 1.18 3.40 0.04 2.72 0.04 -1.26 -4.45 135.00 136.68 1t70 s PRO 1077Ca 0.02 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1t70 s PRO 1077Cb -0.14 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1t70 s PRO 1077CO -0.10 -0.93 0.05 0.95 0.04 0.00 0.00 177.00 177.01 1t70 s THR 1078N -1.38 4.44 -0.37 1.26 -4.23 -0.77 -4.95 115.64 109.64 1t70 s THR 1078Ca 0.68 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1t70 s THR 1078Cb -0.36 -3.08 0.55 0.00 1.34 0.00 0.00 72.50 70.95 1t70 s THR 1078CO 0.43 0.23 1.59 0.00 -0.54 0.00 0.00 174.62 176.33 1t70 n ALA 1079N 0.83 4.33 -0.37 3.99 0.00 -1.26 -4.27 120.51 123.76 1t70 n ALA 1079Ca -0.11 -1.88 0.11 0.00 0.00 0.00 0.00 53.44 51.55 1t70 n ALA 1079Cb 0.52 -1.24 0.33 0.00 0.00 0.00 0.00 19.45 19.06 1t70 n ALA 1079CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1t70 n ASP 1080N -0.26 4.14 -4.13 0.00 3.85 -1.26 -5.00 116.55 113.89 1t70 n ASP 1080Ca 0.35 -2.17 -0.55 0.00 -0.71 0.00 0.00 54.79 51.72 1t70 n ASP 1080Cb 1.22 -0.51 -0.07 0.00 -1.35 0.00 0.00 41.12 40.40 1t70 n ASP 1080CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1t70 n THR 1081N 1.41 0.00 -3.79 2.12 -1.04 -1.26 -4.80 114.28 106.92 1t70 n THR 1081Ca 0.24 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.21 1t70 n THR 1081Cb 0.70 -0.04 -0.01 0.00 -1.82 0.00 0.00 70.33 69.16 1t70 n THR 1081CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1t70 s ARG 1082N 0.27 1.39 -0.26 -2.82 3.00 -0.36 -5.02 118.95 115.15 1t70 s ARG 1082Ca 0.84 -0.78 0.02 0.00 -1.00 0.00 0.00 55.73 54.81 1t70 s ARG 1082Cb -1.18 0.46 0.07 0.00 0.00 0.00 0.00 34.95 34.30 1t70 s ARG 1082CO 0.54 -0.64 -0.07 0.42 0.00 0.00 0.00 175.30 175.56 1t70 s ILE 1083N -3.35 1.91 0.49 4.11 1.01 -1.26 0.14 121.20 124.25 1t70 s ILE 1083Ca 0.13 -1.55 -0.22 0.00 0.00 0.00 0.00 60.65 59.00 1t70 s ILE 1083Cb -0.03 -2.13 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 1t70 s ILE 1083CO 0.04 -0.13 1.18 -0.76 0.00 0.00 0.00 174.94 175.27 1t70 s LEU 1084N 1.20 3.93 -0.02 2.97 1.43 -0.31 -4.82 118.68 123.07 1t70 s LEU 1084Ca -0.05 2.33 -0.38 0.00 -1.03 0.00 0.00 54.13 55.00 1t70 s LEU 1084Cb -0.19 -4.32 -0.16 0.00 0.03 0.00 0.00 46.19 41.54 1t70 s LEU 1084CO -0.06 -1.06 1.47 1.17 0.23 0.00 0.00 176.35 178.09 1t70 n LYS 1085N -0.73 1.16 0.00 1.70 4.81 -1.26 -1.57 118.16 122.27 1t70 n LYS 1085Ca 0.09 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1t70 n LYS 1085Cb 0.48 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1t70 n LYS 1085CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t70 n GLY 1086N 3.03 1.57 1.29 3.14 0.00 -1.26 -4.23 105.19 108.73 1t70 n GLY 1086Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1t70 n GLY 1086CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 1087N 0.00 0.89 3.24 -0.02 0.00 -0.61 -3.98 105.19 104.70 1t70 n GLY 1087Ca 0.00 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1t70 n GLY 1087CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t70 s THR 1088N -2.32 3.76 0.43 2.61 2.01 -1.11 -0.32 115.64 120.70 1t70 s THR 1088Ca 0.00 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.35 1t70 s THR 1088Cb 0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 1t70 s THR 1088CO 0.00 -0.36 1.41 0.00 -0.69 0.00 0.00 174.62 174.98 1t70 s ALA 1089N 1.35 3.31 -0.10 7.40 0.00 -0.13 -1.16 121.76 132.43 1t70 s ALA 1089Ca 0.01 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 1t70 s ALA 1089Cb -0.21 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1t70 s ALA 1089CO 0.01 -1.08 0.28 -0.47 0.00 0.00 0.00 175.76 174.50 1t70 s TYR 1090N -1.20 -0.29 -0.28 0.00 6.14 0.12 -0.60 117.35 121.24 1t70 s TYR 1090Ca 0.58 0.70 -0.09 0.00 0.64 0.00 0.00 57.07 58.91 1t70 s TYR 1090Cb -0.43 0.10 0.13 0.00 0.42 0.00 0.00 41.96 42.18 1t70 s TYR 1090CO 0.56 -0.17 0.61 -1.14 0.64 0.00 0.00 175.55 176.05 1t70 s GLN 1091N 0.02 0.54 0.34 4.97 0.74 -1.12 -1.23 119.66 123.92 1t70 s GLN 1091Ca -0.01 1.36 0.10 0.00 0.05 0.00 0.00 55.36 56.86 1t70 s GLN 1091Cb -0.02 0.77 0.86 0.00 1.10 0.00 0.00 33.01 35.71 1t70 s GLN 1091CO 0.01 -0.23 1.80 1.79 -0.55 0.00 0.00 175.29 178.10 1t70 h THR 1092N 6.03 0.69 -2.04 -0.34 1.35 -1.90 -0.15 112.91 116.55 1t70 h THR 1092Ca -0.18 -0.22 -0.11 0.00 -0.55 0.00 0.00 66.41 65.35 1t70 h THR 1092Cb 1.10 -0.01 -0.28 0.00 -1.73 0.00 0.00 68.15 67.23 1t70 h THR 1092CO 0.11 0.12 -0.42 -0.62 -0.25 0.00 0.00 175.52 174.46 1t70 s ASP 1093N -5.48 -0.10 0.31 5.36 2.15 -1.26 -3.32 116.67 114.33 1t70 s ASP 1093Ca -0.10 0.58 0.06 0.00 0.43 0.00 0.00 52.55 53.52 1t70 s ASP 1093Cb 0.24 1.31 0.75 0.00 -0.30 0.00 0.00 42.92 44.92 1t70 s ASP 1093CO 0.80 -0.27 1.79 0.00 -0.17 0.00 0.00 175.17 177.32 1t70 h ALA 1094N 8.16 1.70 0.00 3.66 0.00 -0.59 -2.04 119.26 130.15 1t70 h ALA 1094Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1t70 h ALA 1094Cb 1.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1t70 h ALA 1094CO 0.21 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1t70 n GLY 1095N -1.35 -0.52 3.94 0.00 0.00 -1.26 -4.34 105.19 101.66 1t70 n GLY 1095Ca 0.22 -2.22 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 1t70 n GLY 1095CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1t70 s PHE 1096N -0.03 3.48 -0.39 1.61 5.99 -1.16 -3.45 117.98 124.03 1t70 s PHE 1096Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 56.93 57.33 1t70 s PHE 1096Cb 0.00 -1.97 0.16 0.00 0.00 0.00 0.00 43.02 41.21 1t70 s PHE 1096CO 0.00 0.04 0.32 0.99 -0.00 0.00 0.00 175.22 176.56 1t70 s THR 1097N -2.38 0.10 0.00 0.12 2.01 -0.95 -0.55 115.64 114.00 1t70 s THR 1097Ca 0.41 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1t70 s THR 1097Cb -0.10 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1t70 s THR 1097CO 0.37 -0.99 0.00 0.61 -0.69 0.00 0.00 174.62 173.92 1t70 n GLY 1098N 3.49 1.03 3.68 4.40 0.00 -0.15 -0.63 105.19 117.00 1t70 n GLY 1098Ca 0.20 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 1t70 n GLY 1098CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t70 n PRO 1099N 0.00 2.45 -0.06 1.61 -0.04 -1.26 0.46 135.00 138.16 1t70 n PRO 1099Ca 0.00 0.89 -0.15 0.00 -0.04 0.00 0.00 63.50 64.21 1t70 n PRO 1099Cb 0.00 -2.76 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 1t70 n PRO 1099CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1t70 h HIS 1100N 8.91 0.79 -3.75 0.54 2.76 -1.09 -3.38 115.15 119.94 1t70 h HIS 1100Ca -0.48 -0.29 -0.78 0.00 -2.20 0.00 0.00 60.37 56.62 1t70 h HIS 1100Cb 1.25 -0.14 -0.26 0.00 1.55 0.00 0.00 27.41 29.81 1t70 h HIS 1100CO 0.84 1.05 0.05 -0.51 -1.30 0.00 0.00 177.93 178.06 1t70 s ASP 1101N -6.63 6.64 0.10 3.26 1.01 -1.26 -4.99 116.67 114.80 1t70 s ASP 1101Ca -0.12 -2.63 -0.06 0.00 0.71 0.00 0.00 52.55 50.46 1t70 s ASP 1101Cb 0.07 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.83 1t70 s ASP 1101CO 0.83 -0.59 0.28 -1.54 0.21 0.00 0.00 175.17 174.37 1t70 n SER 1102N 4.05 -0.66 -4.00 0.27 3.41 -1.26 -4.78 113.62 110.65 1t70 n SER 1102Ca 0.11 -1.42 -0.32 0.00 -0.26 0.00 0.00 58.87 56.98 1t70 n SER 1102Cb 0.46 1.10 -0.14 0.00 -0.26 0.00 0.00 64.21 65.37 1t70 n SER 1102CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1t70 s ILE 1103N -2.60 2.69 -0.25 -1.33 1.01 -0.77 -4.67 121.20 115.28 1t70 s ILE 1103Ca 0.06 -2.88 0.00 0.00 0.00 0.00 0.00 60.65 57.83 1t70 s ILE 1103Cb -0.01 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1t70 s ILE 1103CO 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 174.94 174.23 1t70 n ILE 1104N 3.62 0.00 0.00 2.92 3.06 -1.26 -1.81 119.36 125.89 1t70 n ILE 1104Ca 0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 1t70 n ILE 1104Cb 0.37 -1.05 0.00 0.00 0.54 0.00 0.00 39.64 39.50 1t70 n ILE 1104CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1t70 n GLY 1105N 0.57 1.26 3.90 4.50 0.00 -1.26 -4.97 105.19 109.19 1t70 n GLY 1105Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1t70 n GLY 1105CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t70 s SER 1106N -1.65 5.79 0.78 1.61 0.01 -0.75 -2.64 113.70 116.84 1t70 s SER 1106Ca 0.00 -0.20 -0.15 0.00 1.31 0.00 0.00 55.95 56.91 1t70 s SER 1106Cb 0.00 -1.40 0.03 0.00 0.21 0.00 0.00 66.02 64.85 1t70 s SER 1106CO 0.00 -0.19 0.90 0.00 0.41 0.00 0.00 173.24 174.35 1t70 n ALA 1107N -1.38 -0.71 -0.01 1.44 0.00 0.35 -1.85 120.51 118.35 1t70 n ALA 1107Ca -0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1t70 n ALA 1107Cb 0.58 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1t70 n ALA 1107CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t70 h ILE 1108N -0.68 1.40 -0.43 0.00 2.04 -1.91 -3.37 117.51 114.56 1t70 h ILE 1108Ca -0.46 -1.99 0.05 0.00 1.00 0.00 0.00 64.86 63.46 1t70 h ILE 1108Cb 1.32 2.45 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 1t70 h ILE 1108CO 0.44 0.59 0.16 -0.08 0.00 0.00 0.00 178.15 179.26 1t70 h GLU 1109N -0.01 0.33 0.00 2.37 4.81 -1.98 -2.13 114.58 117.96 1t70 h GLU 1109Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1t70 h GLU 1109Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1t70 h GLU 1109CO 0.12 0.22 0.00 0.41 -0.73 0.00 0.00 179.01 179.02 1t70 n GLY 1110N -1.24 -2.85 0.25 1.92 0.00 -1.26 -1.48 105.19 100.53 1t70 n GLY 1110Ca 0.03 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1t70 n GLY 1110CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t70 h PRO 1111N 0.00 0.32 -0.93 1.61 0.11 -1.72 -0.57 132.00 130.82 1t70 h PRO 1111Ca 0.00 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.26 1t70 h PRO 1111Cb 0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 30.96 1t70 h PRO 1111CO 0.00 0.21 0.60 1.25 -0.21 0.00 0.00 178.00 179.85 1t70 h LEU 1112N 0.33 0.64 -0.22 2.35 6.46 -1.29 -0.82 115.31 122.75 1t70 h LEU 1112Ca 0.35 0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 57.99 1t70 h LEU 1112Cb 0.51 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1t70 h LEU 1112CO -0.40 0.29 -0.53 1.56 -0.62 0.00 0.00 178.44 178.74 1t70 h GLN 1113N 0.66 0.76 -0.55 1.25 1.08 0.02 -1.73 115.11 116.60 1t70 h GLN 1113Ca 0.49 -0.51 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1t70 h GLN 1113Cb 0.87 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.31 1t70 h GLN 1113CO -0.25 1.14 0.20 0.00 -0.95 0.00 0.00 178.83 178.97 1t70 h ARG 1114N 0.49 0.36 -0.33 1.46 3.08 -0.63 0.18 114.38 118.99 1t70 h ARG 1114Ca -0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1t70 h ARG 1114Cb 1.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1t70 h ARG 1114CO 0.12 0.24 -0.24 0.74 -1.07 0.00 0.00 179.97 179.76 1t70 h PHE 1115N 0.38 0.73 0.07 3.04 0.04 -1.25 0.19 116.94 120.14 1t70 h PHE 1115Ca 0.27 -0.16 -0.16 0.00 2.80 0.00 0.00 57.97 60.72 1t70 h PHE 1115Cb 0.31 -0.18 0.02 0.00 2.20 0.00 0.00 35.95 38.30 1t70 h PHE 1115CO -0.17 0.83 -0.67 -0.07 -0.60 0.00 0.00 178.31 177.63 1t70 h LEU 1116N 0.57 0.47 0.00 1.54 3.38 -0.72 -3.38 115.31 117.17 1t70 h LEU 1116Ca 0.08 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1t70 h LEU 1116Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1t70 h LEU 1116CO 0.05 1.28 -1.69 0.35 0.09 0.00 0.00 178.44 178.53 1t70 n THR 1117N -4.20 0.13 -1.20 0.22 -2.24 0.59 -4.98 114.28 102.60 1t70 n THR 1117Ca -0.12 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.12 1t70 n THR 1117Cb 0.73 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1t70 n THR 1117CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t70 n GLU 1118N -2.29 -0.90 -4.48 -0.78 1.02 0.68 -4.99 120.64 108.90 1t70 n GLU 1118Ca -0.02 0.66 -0.29 0.00 -0.02 0.00 0.00 57.16 57.48 1t70 n GLU 1118Cb 0.55 -4.57 -0.13 0.00 -0.02 0.00 0.00 31.44 27.26 1t70 n GLU 1118CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1t70 s ARG 1119N -2.24 1.53 0.36 3.49 0.52 -1.25 -5.06 118.95 116.31 1t70 s ARG 1119Ca 0.00 -1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 53.65 1t70 s ARG 1119Cb 0.00 -1.94 -0.11 0.00 0.52 0.00 0.00 34.95 33.42 1t70 s ARG 1119CO 0.00 0.47 1.45 -1.25 0.02 0.00 0.00 175.30 175.98 1t70 s PRO 1120N -1.90 4.17 0.00 3.54 0.04 -1.26 -4.36 135.00 135.23 1t70 s PRO 1120Ca 0.14 2.49 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1t70 s PRO 1120Cb -0.10 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1t70 s PRO 1120CO 0.06 -0.46 -0.06 -1.01 0.04 0.00 0.00 177.00 175.57 1t70 s HIS 1121N -1.11 0.52 0.47 0.56 3.76 -1.26 -5.00 115.29 113.22 1t70 s HIS 1121Ca 0.52 -0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 55.07 1t70 s HIS 1121Cb -0.45 -0.33 -0.09 0.00 1.11 0.00 0.00 32.58 32.82 1t70 s HIS 1121CO 0.61 -0.02 1.03 0.50 -0.85 0.00 0.00 174.74 176.01 1t70 s ARG 1122N -0.34 3.91 -0.16 1.40 3.52 -1.26 -4.86 118.95 121.16 1t70 s ARG 1122Ca 0.00 1.35 -0.26 0.00 -0.13 0.00 0.00 55.73 56.70 1t70 s ARG 1122Cb -0.03 -2.17 0.07 0.00 -1.56 0.00 0.00 34.95 31.25 1t70 s ARG 1122CO -0.00 -0.34 0.66 1.52 -0.81 0.00 0.00 175.30 176.33 1t70 s TYR 1123N -1.96 -0.68 0.00 5.12 -0.00 -1.26 -4.50 117.35 114.07 1t70 s TYR 1123Ca 0.65 1.46 0.00 0.00 -0.00 0.00 0.00 57.07 59.18 1t70 s TYR 1123Cb -0.16 0.31 0.00 0.00 -0.00 0.00 0.00 41.96 42.11 1t70 s TYR 1123CO 0.20 -0.46 0.00 0.41 -0.00 0.00 0.00 175.55 175.70 1t70 n GLY 1124N 1.91 7.11 3.77 5.49 0.00 -1.26 -4.95 105.19 117.27 1t70 n GLY 1124Ca -0.16 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 1t70 n GLY 1124CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t70 s VAL 1125N 0.58 3.61 0.53 1.61 1.01 -1.26 -0.50 120.40 125.99 1t70 s VAL 1125Ca 0.00 1.34 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 1t70 s VAL 1125Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1t70 s VAL 1125CO 0.00 0.11 1.17 0.00 0.00 0.00 0.00 175.10 176.38 1t70 s ALA 1126N -1.51 2.74 -0.01 5.51 0.00 -1.08 -4.24 121.76 123.16 1t70 s ALA 1126Ca 0.54 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1t70 s ALA 1126Cb -0.25 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1t70 s ALA 1126CO 0.32 -0.87 -0.08 -1.83 0.00 0.00 0.00 175.76 173.29 1t70 s GLU 1127N -3.12 2.54 0.00 0.00 4.04 -1.26 -4.80 118.70 116.10 1t70 s GLU 1127Ca 0.72 -0.72 0.00 0.00 0.04 0.00 0.00 54.97 55.01 1t70 s GLU 1127Cb -0.28 -2.48 0.00 0.00 0.02 0.00 0.00 34.13 31.39 1t70 s GLU 1127CO 0.32 0.61 0.00 0.41 -1.84 0.00 0.00 175.26 174.75 1t70 n GLY 1128N 1.68 0.50 3.65 -3.83 0.00 -1.26 -4.93 105.19 101.00 1t70 n GLY 1128Ca -0.16 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.30 1t70 n GLY 1128CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t70 n ARG 1129N 0.00 1.80 -4.16 1.61 0.63 -1.26 -4.85 116.66 110.43 1t70 n ARG 1129Ca 0.00 0.64 -0.23 0.00 -0.92 0.00 0.00 57.85 57.34 1t70 n ARG 1129Cb 0.00 -2.26 -0.07 0.00 0.45 0.00 0.00 32.46 30.58 1t70 n ARG 1129CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t70 s ALA 1130N -0.05 3.42 0.07 5.13 0.00 -1.26 -0.53 121.76 128.54 1t70 s ALA 1130Ca 0.70 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1t70 s ALA 1130Cb -0.71 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1t70 s ALA 1130CO 0.50 0.06 -0.11 -1.83 0.00 0.00 0.00 175.76 174.38 1t70 s GLU 1131N -3.81 0.72 -0.12 0.00 -1.05 0.17 -2.06 118.70 112.56 1t70 s GLU 1131Ca 0.37 -0.93 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 1t70 s GLU 1131Cb -0.02 -0.56 0.02 0.00 -0.44 0.00 0.00 34.13 33.13 1t70 s GLU 1131CO 0.22 0.11 -0.12 -1.17 0.95 0.00 0.00 175.26 175.25 1t70 s LEU 1132N -1.85 1.50 -0.04 1.83 0.20 0.44 -0.98 118.68 119.79 1t70 s LEU 1132Ca -0.03 -0.38 0.05 0.00 0.69 0.00 0.00 54.13 54.46 1t70 s LEU 1132Cb -0.08 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.66 1t70 s LEU 1132CO 0.01 -0.05 -0.18 0.20 -0.29 0.00 0.00 176.35 176.04 1t70 s ASN 1133N 1.36 3.71 0.00 3.68 0.01 0.29 -1.51 114.94 122.49 1t70 s ASN 1133Ca 0.00 -0.28 -0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1t70 s ASN 1133Cb -0.14 -0.68 0.00 0.00 0.41 0.00 0.00 41.25 40.84 1t70 s ASN 1133CO -0.06 0.34 0.01 0.61 -1.51 0.00 0.00 177.10 176.48 1t70 n GLY 1134N 2.35 2.68 2.72 0.66 0.00 0.55 -1.33 105.19 112.82 1t70 n GLY 1134Ca -0.17 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 1t70 n GLY 1134CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t70 s VAL 1135N -2.66 -0.24 -0.01 1.61 1.01 0.39 -1.71 120.40 118.79 1t70 s VAL 1135Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1t70 s VAL 1135Cb -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1t70 s VAL 1135CO 0.00 -0.17 0.96 0.00 0.00 0.00 0.00 175.10 175.90 1t70 s ALA 1136N 2.27 3.18 0.07 5.51 0.00 -0.28 -1.83 121.76 130.68 1t70 s ALA 1136Ca 0.05 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.56 1t70 s ALA 1136Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1t70 s ALA 1136CO -0.10 -0.24 -0.14 -0.51 0.00 0.00 0.00 175.76 174.78 1t70 s LEU 1137N 1.04 2.27 -0.17 0.00 1.43 -0.27 -1.91 118.68 121.07 1t70 s LEU 1137Ca 0.51 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1t70 s LEU 1137Cb -0.21 -0.48 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1t70 s LEU 1137CO 0.27 -0.09 -0.12 -2.28 0.23 0.00 0.00 176.35 174.37 1t70 s HIS 1138N -1.28 2.20 -0.04 0.29 2.46 -0.02 -1.80 115.29 117.10 1t70 s HIS 1138Ca -0.03 -1.33 -0.00 0.00 0.47 0.00 0.00 55.06 54.17 1t70 s HIS 1138Cb -0.10 -1.57 -0.03 0.00 -0.13 0.00 0.00 32.58 30.74 1t70 s HIS 1138CO 0.02 -0.69 -0.00 -0.06 -2.47 0.00 0.00 174.74 171.54 1t70 s PHE 1139N 1.47 3.11 -0.22 3.88 0.08 0.37 0.18 117.98 126.84 1t70 s PHE 1139Ca 0.02 0.13 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 1t70 s PHE 1139Cb -0.14 -1.73 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 1t70 s PHE 1139CO -0.09 0.46 0.49 -2.00 -0.10 0.00 0.00 175.22 173.97 1t70 s GLU 1140N -1.20 0.42 -0.95 0.44 2.12 0.49 -4.25 118.70 115.78 1t70 s GLU 1140Ca 0.16 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.61 1t70 s GLU 1140Cb -0.11 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1t70 s GLU 1140CO 0.06 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1t70 n GLY 1141N 5.17 1.05 1.68 -1.50 0.00 -1.26 -2.17 105.19 108.16 1t70 n GLY 1141Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1t70 n GLY 1141CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 1142N -1.69 0.56 3.26 -0.02 0.00 -1.26 -5.04 105.19 101.00 1t70 n GLY 1142Ca -0.09 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1t70 n GLY 1142CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t70 s LYS 1143N -0.55 1.08 -0.03 1.61 1.02 -0.92 -3.73 119.74 118.23 1t70 s LYS 1143Ca 0.00 -1.22 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 1t70 s LYS 1143Cb 0.00 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.17 1t70 s LYS 1143CO 0.00 0.23 0.91 0.00 -0.92 0.00 0.00 175.35 175.57 1t70 s ALA 1144N -1.77 3.23 -0.06 5.17 0.00 0.56 -0.38 121.76 128.51 1t70 s ALA 1144Ca 0.08 0.42 0.17 0.00 0.00 0.00 0.00 51.96 52.64 1t70 s ALA 1144Cb -0.07 -3.25 -0.26 0.00 0.00 0.00 0.00 23.12 19.54 1t70 s ALA 1144CO 0.04 -0.23 0.31 0.25 0.00 0.00 0.00 175.76 176.13 1t70 n THR 1145N 3.93 0.29 -3.67 0.00 -2.24 0.13 -4.70 114.28 108.01 1t70 n THR 1145Ca 0.04 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1t70 n THR 1145Cb 0.51 -0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 1t70 n THR 1145CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t70 s ALA 1146N -3.03 -1.46 -0.14 6.98 0.00 -1.19 -4.98 121.76 117.94 1t70 s ALA 1146Ca -0.07 1.69 -0.06 0.00 0.00 0.00 0.00 51.96 53.52 1t70 s ALA 1146Cb 0.10 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 22.30 1t70 s ALA 1146CO 0.73 -0.28 0.30 0.00 0.00 0.00 0.00 175.76 176.50 1t70 s ALA 1147N 0.40 -0.70 -0.06 0.00 0.00 -1.26 -0.84 121.76 119.29 1t70 s ALA 1147Ca -0.01 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1t70 s ALA 1147Cb -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1t70 s ALA 1147CO -0.00 -0.49 0.32 -1.83 0.00 0.00 0.00 175.76 173.76 1t70 s GLU 1148N 2.01 0.56 0.66 0.00 -1.05 -0.80 -4.75 118.70 115.32 1t70 s GLU 1148Ca -0.03 0.08 -0.16 0.00 -0.15 0.00 0.00 54.97 54.71 1t70 s GLU 1148Cb -0.11 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1t70 s GLU 1148CO -0.10 -0.13 1.13 1.03 0.95 0.00 0.00 175.26 178.15 1t70 s ARG 1149N -0.71 2.73 -0.04 -4.83 0.52 -1.26 -1.12 118.95 114.23 1t70 s ARG 1149Ca -0.08 1.50 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 1t70 s ARG 1149Cb -0.04 -1.93 0.02 0.00 0.52 0.00 0.00 34.95 33.51 1t70 s ARG 1149CO 0.03 -1.33 -0.07 -0.47 0.02 0.00 0.00 175.30 173.48 1t70 s TYR 1150N -2.18 0.96 -0.08 -0.53 6.14 -0.69 -4.74 117.35 116.23 1t70 s TYR 1150Ca 0.69 -0.29 -0.06 0.00 0.64 0.00 0.00 57.07 58.05 1t70 s TYR 1150Cb -0.23 -0.76 0.03 0.00 0.42 0.00 0.00 41.96 41.42 1t70 s TYR 1150CO 0.40 -0.19 0.21 0.50 0.64 0.00 0.00 175.55 177.11 1t70 s ARG 1151N 0.69 0.22 -0.03 4.97 3.52 -1.26 -0.33 118.95 126.73 1t70 s ARG 1151Ca -0.11 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.84 1t70 s ARG 1151Cb -0.14 0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.32 1t70 s ARG 1151CO 0.01 -0.07 0.02 0.12 -0.81 0.00 0.00 175.30 174.57 1t70 s PHE 1152N 0.46 0.17 -0.24 5.12 2.19 -0.57 -5.00 117.98 120.11 1t70 s PHE 1152Ca -0.03 0.08 -0.03 0.00 0.33 0.00 0.00 56.93 57.27 1t70 s PHE 1152Cb -0.04 -0.34 0.01 0.00 -1.31 0.00 0.00 43.02 41.33 1t70 s PHE 1152CO -0.02 -0.12 -0.03 0.42 1.83 0.00 0.00 175.22 177.30 1t70 s ILE 1153N 1.16 3.27 0.96 3.12 -1.09 -1.26 -0.42 121.20 126.94 1t70 s ILE 1153Ca -0.08 -0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 1t70 s ILE 1153Cb -0.13 -2.58 0.17 0.00 -1.58 0.00 0.00 42.46 38.34 1t70 s ILE 1153CO -0.02 0.30 1.09 -1.83 -1.23 0.00 0.00 174.94 173.24 1t70 s GLU 1154N 1.43 0.68 0.00 2.79 -1.05 -0.87 -5.03 118.70 116.64 1t70 s GLU 1154Ca 0.03 1.01 0.19 0.00 -0.15 0.00 0.00 54.97 56.06 1t70 s GLU 1154Cb -0.15 -1.73 1.15 0.00 -0.44 0.00 0.00 34.13 32.95 1t70 s GLU 1154CO -0.03 -2.69 1.54 -0.25 0.95 0.00 0.00 175.26 174.77