#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b71 s SER 910 N 0.00 1.04 1.07 4.38 1.04 -1.26 -5.16 113.70 114.80 3b71 s SER 910 Ca 0.00 -1.35 -0.13 0.00 0.48 0.00 0.00 55.95 54.96 3b71 s SER 910 Cb 0.00 0.19 0.23 0.00 0.10 0.00 0.00 66.02 66.53 3b71 s SER 910 CO 0.00 -0.72 1.07 -2.16 0.98 0.00 0.00 173.24 172.41 3b71 s PRO 911 N -4.03 -0.13 0.70 4.02 0.04 -1.26 -4.98 135.00 129.37 3b71 s PRO 911 Ca 0.36 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 3b71 s PRO 911 Cb 0.07 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.97 3b71 s PRO 911 CO 0.12 -3.13 1.07 -2.14 0.04 0.00 0.00 177.00 172.95 3b71 s PRO 912 N -4.78 2.81 0.36 0.56 0.02 -1.26 -4.92 135.00 127.80 3b71 s PRO 912 Ca 0.67 1.03 -0.24 0.00 0.02 0.00 0.00 61.00 62.47 3b71 s PRO 912 Cb -0.21 -1.97 -0.14 0.00 0.02 0.00 0.00 34.50 32.20 3b71 s PRO 912 CO 0.60 -1.20 0.58 -2.30 -0.33 0.00 0.00 177.00 174.35 3b71 n PRO 913 N -3.12 0.56 -2.27 5.54 -0.02 -1.26 -4.85 135.00 129.58 3b71 n PRO 913 Ca 0.08 0.20 -0.37 0.00 -2.02 0.00 0.00 63.50 61.39 3b71 n PRO 913 Cb 0.53 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 3b71 n PRO 913 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3b71 s THR 914 N -1.35 3.15 -1.02 3.45 -1.32 -1.26 -4.91 115.64 112.38 3b71 s THR 914 Ca 0.62 0.85 0.25 0.00 -1.21 0.00 0.00 61.69 62.21 3b71 s THR 914 Cb -0.67 -3.43 0.04 0.00 -1.51 0.00 0.00 72.50 66.93 3b71 s THR 914 CO 0.58 -0.02 1.48 0.00 -2.21 0.00 0.00 174.62 174.45 3b71 n ALA 915 N -0.51 3.40 0.83 11.08 0.00 -1.26 -4.11 120.51 129.94 3b71 n ALA 915 Ca 0.07 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.26 3b71 n ALA 915 Cb 0.48 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 19.16 3b71 n ALA 915 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3b71 n ASN 916 N -1.48 0.00 -4.50 0.00 3.02 -1.26 -4.68 115.26 106.36 3b71 n ASN 916 Ca 0.06 -0.40 -0.25 0.00 -0.03 0.00 0.00 54.58 53.96 3b71 n ASN 916 Cb 0.34 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.39 3b71 n ASN 916 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b71 s LEU 917 N -2.02 2.66 -0.49 3.41 1.43 -1.26 -5.09 118.68 117.33 3b71 s LEU 917 Ca 0.20 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 3b71 s LEU 917 Cb 0.09 -0.99 0.10 0.00 0.03 0.00 0.00 46.19 45.43 3b71 s LEU 917 CO 0.15 -0.14 0.40 -0.62 0.23 0.00 0.00 176.35 176.37 3b71 s ASP 918 N -3.55 5.97 0.00 2.29 3.68 -1.26 -4.93 116.67 118.87 3b71 s ASP 918 Ca 0.31 -1.65 0.12 0.00 2.13 0.00 0.00 52.55 53.46 3b71 s ASP 918 Cb 0.00 -2.12 0.55 0.00 -1.45 0.00 0.00 42.92 39.90 3b71 s ASP 918 CO 0.15 -0.71 1.34 0.54 0.13 0.00 0.00 175.17 176.62 3b71 n ARG 919 N 5.10 0.08 0.21 4.34 5.12 -1.26 -3.53 116.66 126.72 3b71 n ARG 919 Ca -0.11 0.24 0.17 0.00 -1.93 0.00 0.00 57.85 56.21 3b71 n ARG 919 Cb 0.42 -1.50 0.83 0.00 -1.16 0.00 0.00 32.46 31.04 3b71 n ARG 919 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3b71 h SER 920 N 0.00 0.00 0.00 0.55 0.87 -2.05 -2.44 113.55 110.49 3b71 h SER 920 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3b71 h SER 920 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3b71 h SER 920 CO 0.00 0.00 -0.10 0.59 -0.53 0.00 0.00 176.83 176.79 3b71 n ASN 921 N -3.86 1.13 -4.11 6.23 3.02 -1.23 -4.98 115.26 111.47 3b71 n ASN 921 Ca 0.01 -1.96 -0.43 0.00 -0.03 0.00 0.00 54.58 52.16 3b71 n ASN 921 Cb 0.29 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3b71 n ASN 921 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3b71 n ASP 922 N -0.47 5.78 0.22 6.41 -0.08 -0.92 -4.84 116.55 122.65 3b71 n ASP 922 Ca 0.04 -3.21 0.09 0.00 -1.51 0.00 0.00 54.79 50.20 3b71 n ASP 922 Cb 0.49 -1.38 0.28 0.00 2.34 0.00 0.00 41.12 42.85 3b71 n ASP 922 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3b71 h LYS 923 N 5.99 0.00 0.25 -0.67 1.57 -1.94 -0.20 116.57 121.57 3b71 h LYS 923 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3b71 h LYS 923 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3b71 h LYS 923 CO 1.32 0.00 -0.12 0.28 -0.57 0.00 0.00 179.45 180.36 3b71 h VAL 924 N 0.00 0.63 0.11 0.50 2.07 -1.94 -2.26 116.25 115.35 3b71 h VAL 924 Ca 0.10 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3b71 h VAL 924 Cb 1.85 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3b71 h VAL 924 CO -0.00 0.15 -0.30 0.22 0.02 0.00 0.00 177.57 177.66 3b71 h TYR 925 N -0.91 -0.87 -0.99 1.57 5.03 -1.46 0.91 116.97 120.26 3b71 h TYR 925 Ca -0.03 0.02 0.37 0.00 2.58 0.00 0.00 58.73 61.67 3b71 h TYR 925 Cb 0.50 0.36 -0.18 0.00 1.55 0.00 0.00 36.73 38.97 3b71 h TYR 925 CO 0.05 -0.35 0.38 -1.91 -1.32 0.00 0.00 178.16 175.01 3b71 n GLU 926 N -4.16 -0.07 0.07 1.82 2.13 -0.72 -0.71 120.64 119.00 3b71 n GLU 926 Ca -0.05 1.40 -0.16 0.00 0.66 0.00 0.00 57.16 59.00 3b71 n GLU 926 Cb 0.24 -2.42 -0.08 0.00 0.27 0.00 0.00 31.44 29.46 3b71 n GLU 926 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3b71 h ASN 927 N 0.00 0.64 -0.21 4.31 -0.26 -0.63 -1.09 115.58 118.35 3b71 h ASN 927 Ca 0.76 -0.54 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 3b71 h ASN 927 Cb 1.92 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 38.97 3b71 h ASN 927 CO -0.81 1.35 -0.16 0.58 -1.06 0.00 0.00 177.43 177.32 3b71 h VAL 928 N 0.26 1.32 -0.73 2.81 2.07 0.04 -0.75 116.25 121.27 3b71 h VAL 928 Ca -0.11 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.23 3b71 h VAL 928 Cb 1.68 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 3b71 h VAL 928 CO 0.18 0.39 0.34 0.74 0.02 0.00 0.00 177.57 179.25 3b71 h THR 929 N 0.16 0.78 0.01 2.57 2.02 -0.89 0.14 112.91 117.69 3b71 h THR 929 Ca 0.04 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.06 3b71 h THR 929 Cb 0.69 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3b71 h THR 929 CO 0.04 0.10 -0.25 1.23 0.37 0.00 0.00 175.52 177.01 3b71 h GLY 930 N 0.55 -0.39 1.89 2.16 0.00 -1.05 -0.99 103.07 105.24 3b71 h GLY 930 Ca 0.38 0.30 0.01 0.00 0.00 0.00 0.00 47.33 48.02 3b71 h GLY 930 CO -0.32 -0.21 0.04 -2.00 0.00 0.00 0.00 176.54 174.06 3b71 h LEU 931 N -0.40 0.02 0.02 3.11 5.85 0.52 -2.02 115.31 122.41 3b71 h LEU 931 Ca 0.06 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3b71 h LEU 931 Cb 0.47 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3b71 h LEU 931 CO -0.22 0.01 -0.01 0.58 -0.34 0.00 0.00 178.44 178.46 3b71 h VAL 932 N 0.02 0.90 -1.02 1.05 2.07 -0.50 -3.12 116.25 115.66 3b71 h VAL 932 Ca 0.03 -1.62 0.41 0.00 0.82 0.00 0.00 66.70 66.35 3b71 h VAL 932 Cb 0.09 1.69 -0.17 0.00 -1.52 0.00 0.00 31.29 31.38 3b71 h VAL 932 CO -0.00 0.30 0.57 0.29 0.02 0.00 0.00 177.57 178.75 3b71 n LYS 933 N -4.72 -0.05 -0.12 1.57 4.01 -0.40 0.34 118.16 118.78 3b71 n LYS 933 Ca -0.05 1.32 -0.12 0.00 -0.51 0.00 0.00 58.31 58.94 3b71 n LYS 933 Cb 0.25 -2.40 -0.03 0.00 -0.51 0.00 0.00 35.03 32.35 3b71 n LYS 933 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3b71 h ALA 934 N 1.88 0.51 0.76 7.82 0.00 -1.40 0.33 119.26 129.16 3b71 h ALA 934 Ca 0.83 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 3b71 h ALA 934 Cb 2.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.92 3b71 h ALA 934 CO -0.70 0.47 -0.49 0.28 0.00 0.00 0.00 179.25 178.81 3b71 h VAL 935 N 0.56 0.00 -0.57 0.00 2.07 -0.05 0.11 116.25 118.38 3b71 h VAL 935 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 3b71 h VAL 935 Cb 0.75 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3b71 h VAL 935 CO 0.06 0.00 0.39 0.40 0.02 0.00 0.00 177.57 178.44 3b71 h ILE 936 N -1.18 0.80 0.19 4.57 2.04 -0.56 0.38 117.51 123.76 3b71 h ILE 936 Ca -0.10 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3b71 h ILE 936 Cb 0.95 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3b71 h ILE 936 CO 0.09 0.03 -0.09 -0.08 0.00 0.00 0.00 178.15 178.10 3b71 h GLU 937 N 0.19 -0.25 -0.59 2.37 4.57 -0.09 -0.13 114.58 120.64 3b71 h GLU 937 Ca 0.27 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.52 3b71 h GLU 937 Cb 0.81 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.39 3b71 h GLU 937 CO -0.04 -0.17 -0.35 -0.12 -1.18 0.00 0.00 179.01 177.15 3b71 n MET 938 N -2.89 -0.26 -0.12 1.92 0.00 0.35 -0.20 117.12 115.93 3b71 n MET 938 Ca -0.03 1.00 -0.06 0.00 -0.00 0.00 0.00 57.70 58.61 3b71 n MET 938 Cb 0.10 -1.47 0.03 0.00 0.00 0.00 0.00 33.22 31.88 3b71 n MET 938 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3b71 h SER 939 N 0.00 0.15 -0.81 6.12 4.64 -1.09 -2.31 113.55 120.26 3b71 h SER 939 Ca 0.09 0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 3b71 h SER 939 Cb 0.24 0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 62.25 3b71 h SER 939 CO -0.56 0.12 -0.55 0.28 -0.87 0.00 0.00 176.83 175.26 3b71 h SER 940 N 0.30 -1.97 0.00 4.97 0.02 0.14 -3.37 113.55 113.64 3b71 h SER 940 Ca 0.18 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3b71 h SER 940 Cb 0.16 0.87 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3b71 h SER 940 CO -0.18 -0.29 0.00 0.29 -1.14 0.00 0.00 176.83 175.51 3b71 n LYS 941 N -5.32 0.00 0.00 3.45 4.01 -0.70 -4.78 118.16 114.82 3b71 n LYS 941 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3b71 n LYS 941 Cb 0.30 -0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.82 3b71 n LYS 941 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 3b71 n ILE 942 N 0.00 0.00 -0.26 -0.18 0.00 -0.89 -4.15 119.36 113.88 3b71 n ILE 942 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 62.75 62.85 3b71 n ILE 942 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 39.64 39.83 3b71 n ILE 942 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3b71 n GLN 943 N 0.00 -0.06 0.02 9.51 7.27 -1.26 0.10 117.38 132.96 3b71 n GLN 943 Ca 0.00 1.13 0.14 0.00 0.07 0.00 0.00 57.00 58.34 3b71 n GLN 943 Cb 0.00 -1.77 0.56 0.00 2.41 0.00 0.00 30.24 31.44 3b71 n GLN 943 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3b71 n PRO 944 N -5.08 0.06 -3.91 3.69 -0.04 -1.26 -4.97 135.00 123.48 3b71 n PRO 944 Ca 0.16 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 3b71 n PRO 944 Cb 0.53 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3b71 n PRO 944 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b71 s ALA 945 N -3.02 3.96 0.95 0.55 0.00 0.28 -5.12 121.76 119.35 3b71 s ALA 945 Ca 0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 3b71 s ALA 945 Cb 0.17 -1.86 0.19 0.00 0.00 0.00 0.00 23.12 21.63 3b71 s ALA 945 CO 0.55 0.77 1.31 -1.25 0.00 0.00 0.00 175.76 177.14 3b71 s PRO 946 N -2.07 0.73 0.39 0.00 0.04 -1.26 -4.75 135.00 128.07 3b71 s PRO 946 Ca 0.29 -0.39 0.14 0.00 0.04 0.00 0.00 61.00 61.08 3b71 s PRO 946 Cb -0.13 -1.86 0.97 0.00 0.04 0.00 0.00 34.50 33.52 3b71 s PRO 946 CO 0.21 -2.36 1.87 -1.35 0.04 0.00 0.00 177.00 175.41 3b71 h PRO 947 N -1.59 0.51 -0.75 0.56 0.11 -1.97 -0.82 132.00 128.05 3b71 h PRO 947 Ca -0.44 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.77 3b71 h PRO 947 Cb 1.24 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3b71 h PRO 947 CO 0.40 0.33 0.49 0.93 -0.21 0.00 0.00 178.00 179.95 3b71 h GLU 948 N 0.52 0.48 0.07 1.05 3.07 -2.01 -2.17 114.58 115.59 3b71 h GLU 948 Ca 0.44 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.93 3b71 h GLU 948 Cb 0.93 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 3b71 h GLU 948 CO -0.18 0.32 -1.90 0.39 -1.40 0.00 0.00 179.01 176.23 3b71 n GLU 949 N -4.49 0.69 0.09 2.33 1.02 -0.41 -4.57 120.64 115.30 3b71 n GLU 949 Ca 0.14 0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 57.59 3b71 n GLU 949 Cb 0.46 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 3b71 n GLU 949 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3b71 h TYR 950 N -0.27 0.00 0.53 -0.32 -0.00 -1.27 -3.05 116.97 112.59 3b71 h TYR 950 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.27 3b71 h TYR 950 Cb 1.81 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.54 3b71 h TYR 950 CO 0.07 0.68 -0.32 0.28 -0.00 0.00 0.00 178.16 178.87 3b71 h VAL 951 N 0.00 0.00 -1.13 -0.90 2.07 -1.64 -0.87 116.25 113.77 3b71 h VAL 951 Ca -0.06 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.78 3b71 h VAL 951 Cb 1.57 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 3b71 h VAL 951 CO 0.08 0.00 0.76 -0.65 0.02 0.00 0.00 177.57 177.77 3b71 h PRO 952 N -0.79 0.23 -0.86 1.57 0.11 -1.80 0.11 132.00 130.57 3b71 h PRO 952 Ca -0.07 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.18 3b71 h PRO 952 Cb 0.63 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.63 3b71 h PRO 952 CO 0.08 0.15 0.56 0.52 -0.21 0.00 0.00 178.00 179.10 3b71 h MET 953 N 0.24 0.55 0.19 1.05 2.86 -1.08 -1.66 114.93 117.07 3b71 h MET 953 Ca 0.63 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.99 3b71 h MET 953 Cb 1.90 -0.12 0.03 0.00 0.06 0.00 0.00 31.60 33.47 3b71 h MET 953 CO -0.23 0.36 -1.08 0.28 1.06 0.00 0.00 176.91 177.30 3b71 h VAL 954 N 0.57 1.42 -0.95 -2.22 2.07 0.06 -3.13 116.25 114.07 3b71 h VAL 954 Ca 0.43 -2.60 0.29 0.00 0.82 0.00 0.00 66.70 65.65 3b71 h VAL 954 Cb 0.84 3.13 -0.16 0.00 -1.52 0.00 0.00 31.29 33.58 3b71 h VAL 954 CO -0.18 0.75 0.30 0.11 0.02 0.00 0.00 177.57 178.57 3b71 h LYS 955 N -0.16 0.14 -0.15 1.57 6.56 -0.41 0.29 116.57 124.41 3b71 h LYS 955 Ca -0.19 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.32 3b71 h LYS 955 Cb 1.85 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.47 3b71 h LYS 955 CO 0.20 0.09 -0.24 0.93 -2.06 0.00 0.00 179.45 178.38 3b71 h GLU 956 N 0.15 0.27 -0.33 3.15 4.39 -1.28 0.25 114.58 121.17 3b71 h GLU 956 Ca 0.65 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 60.19 3b71 h GLU 956 Cb 1.44 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 3b71 h GLU 956 CO -0.73 0.49 -0.07 0.28 -1.16 0.00 0.00 179.01 177.83 3b71 h VAL 957 N 0.24 1.28 -0.25 3.13 2.07 -0.53 -2.76 116.25 119.42 3b71 h VAL 957 Ca 0.04 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3b71 h VAL 957 Cb 0.56 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3b71 h VAL 957 CO 0.04 0.36 0.14 1.23 0.02 0.00 0.00 177.57 179.36 3b71 h GLY 958 N 0.41 0.37 -0.15 2.17 0.00 0.44 -0.85 103.07 105.46 3b71 h GLY 958 Ca 0.08 -0.17 0.14 0.00 0.00 0.00 0.00 47.33 47.38 3b71 h GLY 958 CO 0.03 0.16 -0.01 1.41 0.00 0.00 0.00 176.54 178.13 3b71 h LEU 959 N 0.29 -0.32 -0.09 3.11 3.38 -0.65 0.25 115.31 121.28 3b71 h LEU 959 Ca 0.09 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3b71 h LEU 959 Cb 0.06 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b71 h LEU 959 CO -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.38 3b71 h ALA 960 N 1.60 1.00 0.00 1.53 0.00 -1.12 -1.91 119.26 120.37 3b71 h ALA 960 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3b71 h ALA 960 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3b71 h ALA 960 CO -0.57 0.00 -0.19 1.25 0.00 0.00 0.00 179.25 179.74 3b71 h LEU 961 N 0.00 0.16 -0.80 0.00 5.85 -0.49 -2.95 115.31 117.08 3b71 h LEU 961 Ca 0.00 -0.81 0.08 0.00 0.84 0.00 0.00 57.88 57.99 3b71 h LEU 961 Cb 0.87 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3b71 h LEU 961 CO 0.00 0.94 0.46 -0.09 -0.34 0.00 0.00 178.44 179.42 3b71 h ARG 962 N -0.61 0.78 0.36 1.25 1.12 -0.22 -0.57 114.38 116.48 3b71 h ARG 962 Ca -0.02 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3b71 h ARG 962 Cb 0.98 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.74 3b71 h ARG 962 CO 0.04 0.52 -0.35 1.15 -3.11 0.00 0.00 179.97 178.21 3b71 h THR 963 N 0.80 0.27 -0.69 0.20 2.02 -1.46 -2.26 112.91 111.79 3b71 h THR 963 Ca 0.37 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.70 3b71 h THR 963 Cb 0.28 0.27 -0.13 0.00 -1.74 0.00 0.00 68.15 66.84 3b71 h THR 963 CO -0.22 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 175.80 3b71 h LEU 964 N -0.74 -0.54 -0.48 2.58 5.85 -0.96 0.12 115.31 121.13 3b71 h LEU 964 Ca -0.03 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3b71 h LEU 964 Cb 0.67 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3b71 h LEU 964 CO -0.06 -0.21 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.75 3b71 h LEU 965 N 0.03 0.85 -0.48 2.25 3.38 -1.17 -0.31 115.31 119.85 3b71 h LEU 965 Ca 0.35 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3b71 h LEU 965 Cb 0.56 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3b71 h LEU 965 CO -0.68 0.95 -0.14 0.00 0.09 0.00 0.00 178.44 178.66 3b71 h ALA 966 N 0.92 0.27 -0.72 1.53 0.00 -0.41 0.33 119.26 121.19 3b71 h ALA 966 Ca 0.14 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3b71 h ALA 966 Cb 0.53 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3b71 h ALA 966 CO 0.03 -0.47 0.20 1.15 0.00 0.00 0.00 179.25 180.16 3b71 h THR 967 N -0.03 1.26 -0.79 0.00 2.02 -0.87 -2.38 112.91 112.12 3b71 h THR 967 Ca 0.23 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3b71 h THR 967 Cb 0.38 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3b71 h THR 967 CO -0.51 0.36 0.44 0.58 0.37 0.00 0.00 175.52 176.76 3b71 h VAL 968 N 1.08 1.23 0.04 3.16 2.07 0.41 -2.34 116.25 121.90 3b71 h VAL 968 Ca 0.23 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3b71 h VAL 968 Cb 0.34 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3b71 h VAL 968 CO -0.00 0.25 -0.06 0.44 0.02 0.00 0.00 177.57 178.22 3b71 h ASP 969 N 1.10 -0.18 -0.89 0.57 3.32 -0.47 -0.33 116.42 119.53 3b71 h ASP 969 Ca 0.28 0.02 0.30 0.00 0.02 0.00 0.00 57.03 57.65 3b71 h ASP 969 Cb 0.01 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 3b71 h ASP 969 CO -0.05 -0.08 0.58 -0.62 -1.72 0.00 0.00 179.24 177.36 3b71 n GLU 970 N -2.73 -0.02 0.02 3.56 1.02 -1.12 -1.18 120.64 120.20 3b71 n GLU 970 Ca -0.01 0.76 -0.20 0.00 -0.02 0.00 0.00 57.16 57.68 3b71 n GLU 970 Cb 0.05 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 3b71 n GLU 970 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3b71 h THR 971 N 0.00 1.35 -0.98 2.62 2.02 -0.79 -3.40 112.91 113.72 3b71 h THR 971 Ca 0.54 -2.46 0.05 0.00 0.77 0.00 0.00 66.41 65.31 3b71 h THR 971 Cb 1.81 3.02 -0.06 0.00 -1.74 0.00 0.00 68.15 71.17 3b71 h THR 971 CO -0.25 0.69 0.64 0.40 0.37 0.00 0.00 175.52 177.36 3b71 h ILE 972 N -0.42 1.13 0.00 3.11 2.04 0.43 -2.71 117.51 121.09 3b71 h ILE 972 Ca -0.19 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3b71 h ILE 972 Cb 1.62 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3b71 h ILE 972 CO 0.09 0.22 -0.13 1.55 0.00 0.00 0.00 178.15 179.88 3b71 h PRO 973 N 1.20 0.00 -0.41 2.37 0.13 -1.77 -2.31 132.00 131.21 3b71 h PRO 973 Ca 0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.53 3b71 h PRO 973 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 3b71 h PRO 973 CO -0.14 0.13 0.01 1.47 -0.23 0.00 0.00 178.00 179.24 3b71 n LEU 974 N -3.49 4.74 -4.91 1.56 -0.00 -1.02 -4.88 117.00 109.00 3b71 n LEU 974 Ca -0.01 -3.00 -0.20 0.00 -0.00 0.00 0.00 56.01 52.80 3b71 n LEU 974 Cb 0.29 -0.61 -0.02 0.00 -0.00 0.00 0.00 43.42 43.08 3b71 n LEU 974 CO 0.30 0.66 0.04 -0.76 -0.00 0.00 0.00 177.39 177.64 3b71 s LEU 975 N -2.82 3.41 0.51 1.47 1.02 -0.87 -5.10 118.68 116.30 3b71 s LEU 975 Ca 0.48 -0.70 -0.21 0.00 0.02 0.00 0.00 54.13 53.72 3b71 s LEU 975 Cb 0.38 -2.14 -0.08 0.00 0.02 0.00 0.00 46.19 44.37 3b71 s LEU 975 CO 0.12 -0.71 0.87 -2.65 0.02 0.00 0.00 176.35 173.99 3b71 n PRO 976 N -1.64 0.99 -0.04 1.29 -0.02 -1.26 -4.96 135.00 129.37 3b71 n PRO 976 Ca 0.05 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 3b71 n PRO 976 Cb 0.61 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.02 3b71 n PRO 976 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b71 h ALA 977 N 0.90 0.12 0.00 3.55 0.00 -1.92 -3.28 119.26 118.62 3b71 h ALA 977 Ca -0.46 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3b71 h ALA 977 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3b71 h ALA 977 CO 0.53 0.07 0.33 -1.13 0.00 0.00 0.00 179.25 179.05 3b71 n SER 978 N -4.55 0.00 -2.90 0.00 3.41 -1.26 -2.17 113.62 106.15 3b71 n SER 978 Ca -0.08 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.54 3b71 n SER 978 Cb 0.42 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 3b71 n SER 978 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3b71 n THR 979 N -1.12 -0.09 -0.08 6.66 5.66 -1.24 -4.84 114.28 119.24 3b71 n THR 979 Ca 0.00 -2.59 -0.10 0.00 -3.05 0.00 0.00 64.05 58.30 3b71 n THR 979 Cb 0.33 0.76 -0.10 0.00 -1.55 0.00 0.00 70.33 69.78 3b71 n THR 979 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3b71 n HIS 980 N 0.52 0.00 -0.33 1.09 -0.00 -0.92 -4.55 115.22 111.02 3b71 n HIS 980 Ca 0.13 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.97 3b71 n HIS 980 Cb 0.67 -0.71 0.31 0.00 -0.00 0.00 0.00 29.99 30.25 3b71 n HIS 980 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3b71 h ARG 981 N 0.00 0.62 -0.88 -0.41 2.47 -1.88 1.65 114.38 115.95 3b71 h ARG 981 Ca -0.40 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 3b71 h ARG 981 Cb 1.76 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.90 3b71 h ARG 981 CO -0.02 0.41 0.52 1.49 0.56 0.00 0.00 179.97 182.93 3b71 h GLU 982 N 0.64 1.20 0.16 0.04 4.81 -1.93 -2.98 114.58 116.53 3b71 h GLU 982 Ca 0.56 -0.12 -0.28 0.00 -0.13 0.00 0.00 59.36 59.39 3b71 h GLU 982 Cb 0.93 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.07 3b71 h GLU 982 CO -0.42 0.85 -1.36 0.82 -0.73 0.00 0.00 179.01 178.18 3b71 h ILE 983 N 1.22 1.17 -0.74 2.32 2.04 -0.79 -2.56 117.51 120.17 3b71 h ILE 983 Ca 0.31 -2.51 0.15 0.00 1.00 0.00 0.00 64.86 63.82 3b71 h ILE 983 Cb -0.03 2.90 -0.14 0.00 -0.74 0.00 0.00 36.82 38.82 3b71 h ILE 983 CO -0.06 0.76 -0.13 -0.33 0.00 0.00 0.00 178.15 178.40 3b71 h GLU 984 N -0.15 0.03 -0.06 2.37 4.39 0.22 -0.61 114.58 120.77 3b71 h GLU 984 Ca -0.27 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.21 3b71 h GLU 984 Cb 1.88 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.53 3b71 h GLU 984 CO 0.15 0.02 -0.86 0.52 -1.16 0.00 0.00 179.01 177.67 3b71 h MET 985 N 0.03 0.58 -0.52 2.33 2.86 -1.61 -2.17 114.93 116.42 3b71 h MET 985 Ca 0.37 -0.54 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3b71 h MET 985 Cb 0.59 0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.29 3b71 h MET 985 CO -0.73 1.16 -0.46 0.00 1.06 0.00 0.00 176.91 177.95 3b71 h ALA 986 N 0.67 -0.43 0.00 6.32 0.00 -0.73 -1.22 119.26 123.87 3b71 h ALA 986 Ca -0.07 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3b71 h ALA 986 Cb 1.49 0.98 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 3b71 h ALA 986 CO 0.16 -0.88 -0.21 1.96 0.00 0.00 0.00 179.25 180.29 3b71 h GLN 987 N -0.27 0.00 -0.13 0.00 4.20 -0.87 -1.50 115.11 116.54 3b71 h GLN 987 Ca 0.15 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 3b71 h GLN 987 Cb 0.57 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3b71 h GLN 987 CO -0.65 0.21 -0.42 0.87 -0.67 0.00 0.00 178.83 178.16 3b71 h LYS 988 N 0.00 0.30 -0.52 1.46 1.79 -0.70 -3.19 116.57 115.72 3b71 h LYS 988 Ca -0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3b71 h LYS 988 Cb 0.38 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 3b71 h LYS 988 CO 0.03 0.67 0.33 1.25 -1.08 0.00 0.00 179.45 180.65 3b71 h LEU 989 N 0.25 0.60 -1.82 2.94 5.85 -0.16 0.13 115.31 123.10 3b71 h LEU 989 Ca 0.02 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3b71 h LEU 989 Cb 0.85 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3b71 h LEU 989 CO 0.07 0.45 0.31 -0.07 -0.34 0.00 0.00 178.44 178.85 3b71 h LEU 990 N 0.70 0.18 -0.34 2.25 4.07 -1.54 0.83 115.31 121.46 3b71 h LEU 990 Ca 0.19 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 3b71 h LEU 990 Cb -0.06 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3b71 h LEU 990 CO -0.04 0.11 -0.12 0.78 -1.08 0.00 0.00 178.44 178.09 3b71 h ASN 991 N 0.20 0.69 -0.41 -0.43 2.35 -0.74 0.59 115.58 117.83 3b71 h ASN 991 Ca 0.20 -0.39 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 3b71 h ASN 991 Cb 0.54 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3b71 h ASN 991 CO -0.04 0.92 -0.17 0.77 -1.65 0.00 0.00 177.43 177.27 3b71 h SER 992 N 0.45 0.91 0.03 5.81 4.64 -1.12 0.22 113.55 124.49 3b71 h SER 992 Ca 0.08 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3b71 h SER 992 Cb 0.64 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3b71 h SER 992 CO 0.04 1.06 -0.35 0.44 -0.87 0.00 0.00 176.83 177.15 3b71 h ASP 993 N 0.79 -1.04 -0.38 4.97 3.32 -0.77 -0.63 116.42 122.69 3b71 h ASP 993 Ca 0.12 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.36 3b71 h ASP 993 Cb 0.71 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 3b71 h ASP 993 CO 0.05 -0.41 0.05 0.25 -1.72 0.00 0.00 179.24 177.46 3b71 h LEU 994 N -0.52 -0.04 -1.30 1.55 5.85 -0.61 -2.23 115.31 118.00 3b71 h LEU 994 Ca 0.05 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.00 3b71 h LEU 994 Cb 0.59 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 3b71 h LEU 994 CO -0.26 0.02 0.58 1.23 -0.34 0.00 0.00 178.44 179.67 3b71 h GLY 995 N 0.17 1.20 0.83 3.75 0.00 -0.03 -0.05 103.07 108.94 3b71 h GLY 995 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3b71 h GLY 995 CO -0.26 0.06 -0.06 -2.09 0.00 0.00 0.00 176.54 174.19 3b71 h GLU 996 N 0.65 -0.15 -0.59 4.80 4.81 -0.55 -2.17 114.58 121.37 3b71 h GLU 996 Ca 0.47 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.82 3b71 h GLU 996 Cb 0.82 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.12 3b71 h GLU 996 CO -0.22 0.05 -0.20 1.25 -0.73 0.00 0.00 179.01 179.15 3b71 h LEU 997 N -0.33 -0.73 -0.81 1.64 5.85 -0.60 -1.90 115.31 118.43 3b71 h LEU 997 Ca -0.02 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3b71 h LEU 997 Cb 0.27 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3b71 h LEU 997 CO 0.03 -0.24 0.41 0.40 -0.34 0.00 0.00 178.44 178.70 3b71 h ILE 998 N -0.06 1.25 -0.95 4.05 2.04 -0.92 -1.03 117.51 121.90 3b71 h ILE 998 Ca 0.28 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3b71 h ILE 998 Cb 0.48 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 3b71 h ILE 998 CO -0.64 0.29 0.62 0.78 0.00 0.00 0.00 178.15 179.20 3b71 h ASN 999 N 1.14 0.99 1.40 1.72 4.21 -0.73 0.17 115.58 124.48 3b71 h ASN 999 Ca 0.28 -0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.67 3b71 h ASN 999 Cb 0.09 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 3b71 h ASN 999 CO -0.04 0.66 -0.61 0.11 -1.29 0.00 0.00 177.43 176.26 3b71 h LYS 1000N 1.14 0.00 0.64 0.81 1.79 -0.66 -2.56 116.57 117.73 3b71 h LYS 1000Ca 0.39 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 3b71 h LYS 1000Cb 0.11 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3b71 h LYS 1000CO -0.14 0.56 -0.31 1.98 -1.08 0.00 0.00 179.45 180.47 3b71 h MET 1001N 0.00 -0.83 -1.19 3.15 4.05 -0.41 -1.99 114.93 117.71 3b71 h MET 1001Ca -0.01 0.06 0.42 0.00 -0.28 0.00 0.00 59.70 59.88 3b71 h MET 1001Cb 1.45 0.19 -0.15 0.00 -0.80 0.00 0.00 31.60 32.29 3b71 h MET 1001CO 0.07 -0.55 0.73 0.87 0.23 0.00 0.00 176.91 178.26 3b71 h LYS 1002N -1.07 0.09 0.19 0.39 1.79 -0.66 -0.89 116.57 116.41 3b71 h LYS 1002Ca -0.09 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3b71 h LYS 1002Cb 0.66 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3b71 h LYS 1002CO 0.14 0.06 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.42 3b71 h LEU 1003N 0.10 -0.21 -0.86 2.94 3.38 -1.38 -2.50 115.31 116.76 3b71 h LEU 1003Ca 0.82 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 58.55 3b71 h LEU 1003Cb 2.37 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 43.10 3b71 h LEU 1003CO -0.54 0.30 0.52 0.00 0.09 0.00 0.00 178.44 178.81 3b71 h ALA 1004N -0.27 1.22 -0.57 1.53 0.00 -0.43 0.18 119.26 120.92 3b71 h ALA 1004Ca -0.03 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3b71 h ALA 1004Cb 0.52 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 3b71 h ALA 1004CO 0.04 0.20 -0.35 1.96 0.00 0.00 0.00 179.25 181.10 3b71 h GLN 1005N 0.90 -0.17 -0.82 0.00 4.20 -1.27 -1.93 115.11 116.02 3b71 h GLN 1005Ca 0.40 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.32 3b71 h GLN 1005Cb 0.29 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 27.97 3b71 h GLN 1005CO -0.22 -0.12 0.00 1.96 -0.67 0.00 0.00 178.83 179.79 3b71 h GLN 1006N -0.18 0.08 -1.38 1.46 1.08 -0.20 -3.05 115.11 112.92 3b71 h GLN 1006Ca 0.22 -0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.78 3b71 h GLN 1006Cb 0.55 -0.02 -0.37 0.00 -0.05 0.00 0.00 27.48 27.59 3b71 h GLN 1006CO -0.67 0.05 -0.13 0.66 -0.95 0.00 0.00 178.83 177.80 3b71 n TYR 1007N -5.38 3.14 -0.13 2.96 4.02 -0.75 -4.83 117.16 116.19 3b71 n TYR 1007Ca 0.16 -2.72 0.25 0.00 -0.01 0.00 0.00 57.90 55.58 3b71 n TYR 1007Cb 0.54 -0.58 0.69 0.00 -0.02 0.00 0.00 39.34 39.98 3b71 n TYR 1007CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 3b71 h VAL 1008N 2.15 0.62 -1.05 -0.72 3.04 -1.38 -3.12 116.25 115.78 3b71 h VAL 1008Ca 0.42 -0.01 -0.46 0.00 -1.01 0.00 0.00 66.70 65.64 3b71 h VAL 1008Cb 0.85 0.58 -0.41 0.00 -2.01 0.00 0.00 31.29 30.29 3b71 h VAL 1008CO 1.06 0.01 -0.96 0.23 -1.01 0.00 0.00 177.57 176.90 3b71 n MET 1009N -4.32 2.46 -4.20 4.17 2.81 -1.26 -4.96 117.12 111.83 3b71 n MET 1009Ca 0.16 -3.89 -0.12 0.00 -1.81 0.00 0.00 57.70 52.04 3b71 n MET 1009Cb 0.83 -1.83 -0.10 0.00 -0.71 0.00 0.00 33.22 31.41 3b71 n MET 1009CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3b71 s THR 1010N -4.34 0.23 0.35 2.03 -4.23 -1.18 -5.03 115.64 103.48 3b71 s THR 1010Ca 0.39 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.03 3b71 s THR 1010Cb 0.41 -2.23 0.32 0.00 1.34 0.00 0.00 72.50 72.34 3b71 s THR 1010CO -0.05 -0.31 1.86 0.77 -0.54 0.00 0.00 174.62 176.35 3b71 h SER 1011N 2.72 0.65 0.68 3.99 4.64 -1.97 -2.65 113.55 121.62 3b71 h SER 1011Ca -0.36 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3b71 h SER 1011Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3b71 h SER 1011CO 0.59 0.32 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.56 3b71 h LEU 1012N 0.69 0.00 -1.43 5.97 3.38 -1.96 -2.88 115.31 119.08 3b71 h LEU 1012Ca 0.46 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.50 3b71 h LEU 1012Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3b71 h LEU 1012CO -0.22 0.23 0.46 0.06 0.09 0.00 0.00 178.44 179.07 3b71 h GLN 1013N 0.00 0.66 -0.76 1.13 3.07 -1.56 0.32 115.11 117.97 3b71 h GLN 1013Ca -0.00 -0.04 0.13 0.00 0.09 0.00 0.00 58.65 58.83 3b71 h GLN 1013Cb 0.64 -0.15 -0.05 0.00 0.08 0.00 0.00 27.48 28.00 3b71 h GLN 1013CO 0.03 0.44 0.50 1.96 0.09 0.00 0.00 178.83 181.85 3b71 h GLN 1014N 0.68 0.51 0.03 0.06 1.08 -1.69 -2.34 115.11 113.44 3b71 h GLN 1014Ca 0.31 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3b71 h GLN 1014Cb 0.33 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3b71 h GLN 1014CO -0.10 0.34 -0.01 1.49 -0.95 0.00 0.00 178.83 179.59 3b71 h GLU 1015N 0.52 -0.04 -0.63 1.46 4.57 -0.57 -2.83 114.58 117.06 3b71 h GLU 1015Ca 0.37 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.62 3b71 h GLU 1015Cb 0.70 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 3b71 h GLU 1015CO -0.13 0.38 0.42 1.88 -1.18 0.00 0.00 179.01 180.38 3b71 h TYR 1016N -0.99 0.60 -0.26 0.92 0.05 -1.34 0.30 116.97 116.25 3b71 h TYR 1016Ca -0.00 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.86 3b71 h TYR 1016Cb 0.44 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 37.91 3b71 h TYR 1016CO 0.11 0.31 -0.22 0.87 -1.05 0.00 0.00 178.16 178.19 3b71 h LYS 1017N 0.59 -0.20 -0.83 4.88 1.57 -1.48 0.11 116.57 121.21 3b71 h LYS 1017Ca 0.28 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.15 3b71 h LYS 1017Cb 0.33 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3b71 h LYS 1017CO -0.09 -0.13 0.54 0.87 -0.57 0.00 0.00 179.45 180.07 3b71 h LYS 1018N -0.21 0.84 -0.58 3.15 1.57 -0.23 -0.83 116.57 120.28 3b71 h LYS 1018Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3b71 h LYS 1018Cb 0.43 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3b71 h LYS 1018CO -0.38 0.55 -0.01 1.96 -0.57 0.00 0.00 179.45 181.00 3b71 h GLN 1019N 0.86 1.03 -0.34 3.15 4.20 -0.53 -2.25 115.11 121.23 3b71 h GLN 1019Ca 0.37 -0.33 0.06 0.00 0.06 0.00 0.00 58.65 58.81 3b71 h GLN 1019Cb 0.30 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 3b71 h GLN 1019CO -0.14 1.02 -0.01 0.52 -0.67 0.00 0.00 178.83 179.55 3b71 h MET 1020N 0.92 0.08 -0.75 1.46 2.86 0.65 -2.03 114.93 118.12 3b71 h MET 1020Ca 0.16 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3b71 h MET 1020Cb 0.56 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3b71 h MET 1020CO 0.03 0.05 0.35 -0.07 1.06 0.00 0.00 176.91 178.33 3b71 h LEU 1021N 0.08 0.97 -0.64 1.22 3.38 -1.17 -0.23 115.31 118.92 3b71 h LEU 1021Ca 0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3b71 h LEU 1021Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3b71 h LEU 1021CO -0.29 0.83 0.25 0.71 0.09 0.00 0.00 178.44 180.03 3b71 h THR 1022N 1.06 1.24 0.02 0.22 1.35 -0.79 0.18 112.91 116.19 3b71 h THR 1022Ca 0.26 -0.76 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3b71 h THR 1022Cb 0.12 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 3b71 h THR 1022CO -0.03 0.30 -0.01 0.00 -0.25 0.00 0.00 175.52 175.53 3b71 h ALA 1023N 1.10 -0.03 0.00 6.62 0.00 -0.79 -0.33 119.26 125.84 3b71 h ALA 1023Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3b71 h ALA 1023Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3b71 h ALA 1023CO -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 3b71 h ALA 1024N 0.71 1.90 0.58 0.00 0.00 -0.99 -0.03 119.26 121.43 3b71 h ALA 1024Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3b71 h ALA 1024Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3b71 h ALA 1024CO 0.00 0.06 -0.28 1.25 0.00 0.00 0.00 179.25 180.29 3b71 h HIS 1025N 0.00 -0.72 -0.61 0.00 6.17 -0.61 -2.50 115.15 116.87 3b71 h HIS 1025Ca -0.00 -0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.16 3b71 h HIS 1025Cb 0.08 0.24 -0.11 0.00 2.52 0.00 0.00 27.41 30.14 3b71 h HIS 1025CO 0.00 -0.40 -0.40 0.00 0.71 0.00 0.00 177.93 177.84 3b71 h ALA 1026N -0.63 -0.21 -0.00 5.26 0.00 -0.50 0.47 119.26 123.64 3b71 h ALA 1026Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3b71 h ALA 1026Cb 0.65 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3b71 h ALA 1026CO 0.13 -0.77 -0.00 1.25 0.00 0.00 0.00 179.25 179.86 3b71 h LEU 1027N -0.19 -0.00 -0.85 0.00 5.85 -1.00 0.29 115.31 119.41 3b71 h LEU 1027Ca 0.21 0.00 0.15 0.00 0.84 0.00 0.00 57.88 59.08 3b71 h LEU 1027Cb 0.56 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.44 3b71 h LEU 1027CO -0.71 -0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.10 3b71 h ALA 1028N -1.01 0.33 -0.50 1.25 0.00 -0.87 0.91 119.26 119.36 3b71 h ALA 1028Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3b71 h ALA 1028Cb 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3b71 h ALA 1028CO -0.00 -0.52 0.10 0.28 0.00 0.00 0.00 179.25 179.11 3b71 h VAL 1029N -0.03 0.72 -0.09 0.00 2.07 0.43 0.65 116.25 119.99 3b71 h VAL 1029Ca 0.36 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.67 3b71 h VAL 1029Cb 0.61 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3b71 h VAL 1029CO -0.88 0.04 -0.51 0.44 0.02 0.00 0.00 177.57 176.68 3b71 h ASP 1030N 0.24 0.25 -0.59 0.57 3.32 0.11 -0.62 116.42 119.70 3b71 h ASP 1030Ca 0.25 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3b71 h ASP 1030Cb 0.34 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3b71 h ASP 1030CO -0.33 0.72 0.28 0.00 -1.72 0.00 0.00 179.24 178.19 3b71 h ALA 1031N 1.28 0.76 0.00 3.45 0.00 0.13 -0.52 119.26 124.36 3b71 h ALA 1031Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3b71 h ALA 1031Cb 0.97 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3b71 h ALA 1031CO 0.08 0.32 -0.19 -0.22 0.00 0.00 0.00 179.25 179.24 3b71 h LYS 1032N 0.80 0.00 0.00 0.00 3.64 -0.41 -2.62 116.57 117.98 3b71 h LYS 1032Ca 0.20 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.31 3b71 h LYS 1032Cb 0.13 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3b71 h LYS 1032CO -0.02 0.19 -1.50 -0.97 -2.27 0.00 0.00 179.45 174.88 3b71 h ASN 1033N 0.00 0.02 0.07 4.20 -0.73 -0.67 -3.17 115.58 115.29 3b71 h ASN 1033Ca -0.00 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 3b71 h ASN 1033Cb 0.54 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.12 3b71 h ASN 1033CO 0.02 1.02 -0.04 0.25 -0.37 0.00 0.00 177.43 178.32 3b71 h LEU 1034N 0.00 -0.09 -0.71 0.34 5.85 -0.71 -2.65 115.31 117.34 3b71 h LEU 1034Ca -0.21 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.80 3b71 h LEU 1034Cb 1.94 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.89 3b71 h LEU 1034CO 0.10 -0.06 0.41 -0.11 -0.34 0.00 0.00 178.44 178.44 3b71 n LEU 1035N -2.33 0.19 -0.06 2.25 7.94 -1.20 -0.09 117.00 123.70 3b71 n LEU 1035Ca -0.01 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.80 3b71 n LEU 1035Cb 0.04 -0.48 -0.02 0.00 0.53 0.00 0.00 43.42 43.49 3b71 n LEU 1035CO 0.03 -1.10 0.83 -0.78 -1.11 0.00 0.00 177.39 175.26 3b71 h ASP 1036N 0.00 -0.19 0.51 1.96 -0.00 -1.44 -1.19 116.42 116.06 3b71 h ASP 1036Ca 0.54 0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 57.62 3b71 h ASP 1036Cb 1.55 0.14 0.00 0.00 -0.00 0.00 0.00 39.33 41.02 3b71 h ASP 1036CO -0.42 -0.06 -0.24 -0.37 -0.00 0.00 0.00 179.24 178.14 3b71 h VAL 1037N 0.02 0.42 -0.95 2.25 -1.51 -0.46 -2.76 116.25 113.25 3b71 h VAL 1037Ca 0.12 -0.34 0.31 0.00 -1.23 0.00 0.00 66.70 65.56 3b71 h VAL 1037Cb 0.17 0.55 -0.18 0.00 -2.13 0.00 0.00 31.29 29.70 3b71 h VAL 1037CO -0.24 0.05 0.19 -0.38 -1.23 0.00 0.00 177.57 175.96 3b71 n ILE 1038N -5.30 -0.40 0.30 7.19 5.41 -1.02 0.87 119.36 126.41 3b71 n ILE 1038Ca -0.11 2.04 -0.17 0.00 1.00 0.00 0.00 62.75 65.51 3b71 n ILE 1038Cb 0.32 -3.10 -0.09 0.00 -0.71 0.00 0.00 39.64 36.06 3b71 n ILE 1038CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3b71 h ASP 1039N 0.00 -1.16 -0.84 4.38 5.19 -1.16 0.58 116.42 123.41 3b71 h ASP 1039Ca 0.66 0.09 0.17 0.00 -0.62 0.00 0.00 57.03 57.33 3b71 h ASP 1039Cb 1.52 0.37 -0.06 0.00 0.18 0.00 0.00 39.33 41.34 3b71 h ASP 1039CO -0.84 -0.61 0.55 1.56 -3.12 0.00 0.00 179.24 176.78 3b71 h GLN 1040N -0.94 0.45 0.55 3.56 4.20 0.77 0.54 115.11 124.25 3b71 h GLN 1040Ca -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3b71 h GLN 1040Cb 0.81 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3b71 h GLN 1040CO -0.02 0.30 -0.28 0.00 -0.67 0.00 0.00 178.83 178.16 3b71 h ALA 1041N 1.62 -0.77 -0.93 3.87 0.00 -0.47 -2.19 119.26 120.40 3b71 h ALA 1041Ca 0.42 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3b71 h ALA 1041Cb 0.95 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3b71 h ALA 1041CO -0.16 -0.93 0.60 0.00 0.00 0.00 0.00 179.25 178.76 3b71 h ARG 1042N -0.77 1.15 0.27 0.00 3.08 0.20 -1.01 114.38 117.30 3b71 h ARG 1042Ca -0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3b71 h ARG 1042Cb 0.60 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3b71 h ARG 1042CO 0.11 0.76 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.50 3b71 h LEU 1043N 1.18 -0.53 -0.86 3.04 3.38 -0.06 -2.87 115.31 118.59 3b71 h LEU 1043Ca 0.36 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.55 3b71 h LEU 1043Cb -0.02 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 3b71 h LEU 1043CO -0.11 -0.29 0.41 0.11 0.09 0.00 0.00 178.44 178.64 3b71 h LYS 1044N -0.46 0.51 -0.48 1.13 1.57 -1.34 0.61 116.57 118.11 3b71 h LYS 1044Ca -0.04 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.85 3b71 h LYS 1044Cb 0.38 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3b71 h LYS 1044CO 0.01 0.34 0.76 1.98 -0.57 0.00 0.00 179.45 181.97 3b71 h MET 1045N 0.52 0.00 0.00 3.15 4.05 -0.95 -3.12 114.93 118.59 3b71 h MET 1045Ca 0.50 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.81 3b71 h MET 1045Cb 0.81 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 3b71 h MET 1045CO -0.43 0.00 -1.16 1.28 0.23 0.00 0.00 176.91 176.83 3b71 n LEU 1046N -3.24 1.61 0.00 3.39 4.77 0.14 -5.08 117.00 118.59 3b71 n LEU 1046Ca 0.10 0.27 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3b71 n LEU 1046Cb 0.93 -0.61 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3b71 n LEU 1046CO 0.20 -0.15 0.35 0.61 -1.33 0.00 0.00 177.39 177.06