#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 0.24 0.72 9.51 1.04 -1.26 -5.17 113.70 118.78 3b71 s SER 910 Ca 0.00 -0.63 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 3b71 s SER 910 Cb 0.00 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.37 3b71 s SER 910 CO 0.00 -0.52 1.17 -2.16 0.98 0.00 0.00 173.24 172.71 3b71 s PRO 911 N -2.82 2.29 0.46 4.02 0.04 -1.26 -4.91 135.00 132.83 3b71 s PRO 911 Ca -0.03 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 3b71 s PRO 911 Cb 0.00 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 3b71 s PRO 911 CO -0.06 -1.69 1.28 -1.25 0.04 0.00 0.00 177.00 175.33 3b71 s PRO 912 N -4.01 3.65 0.41 0.56 0.04 -1.26 -4.74 135.00 129.65 3b71 s PRO 912 Ca 0.71 2.08 -0.24 0.00 0.04 0.00 0.00 61.00 63.59 3b71 s PRO 912 Cb -0.26 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 3b71 s PRO 912 CO 0.45 -0.73 0.87 -2.30 0.04 0.00 0.00 177.00 175.32 3b71 n PRO 913 N -0.41 1.08 -1.36 0.56 -0.02 -1.26 -4.72 135.00 128.87 3b71 n PRO 913 Ca 0.07 0.39 -0.47 0.00 -2.02 0.00 0.00 63.50 61.47 3b71 n PRO 913 Cb 0.45 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3b71 n PRO 913 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3b71 n THR 914 N -0.56 1.88 -0.03 3.45 5.66 -1.26 -4.85 114.28 118.57 3b71 n THR 914 Ca 0.10 -0.49 0.08 0.00 -3.05 0.00 0.00 64.05 60.69 3b71 n THR 914 Cb 0.38 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.44 3b71 n THR 914 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3b71 n ALA 915 N -0.06 2.84 -0.24 1.79 0.00 -1.26 -4.25 120.51 119.33 3b71 n ALA 915 Ca 0.17 -1.16 0.08 0.00 0.00 0.00 0.00 53.44 52.53 3b71 n ALA 915 Cb 0.25 -1.01 0.30 0.00 0.00 0.00 0.00 19.45 19.00 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 0.90 4.07 -4.21 0.00 4.13 -1.26 -4.87 115.26 114.01 3b71 n ASN 916 Ca 0.20 -2.38 -0.23 0.00 1.68 0.00 0.00 54.58 53.85 3b71 n ASN 916 Cb 0.66 -0.53 -0.13 0.00 -1.54 0.00 0.00 39.78 38.24 3b71 n ASN 916 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3b71 s LEU 917 N -1.63 2.19 0.10 3.41 1.43 -1.26 -5.06 118.68 117.86 3b71 s LEU 917 Ca 0.43 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 3b71 s LEU 917 Cb 0.28 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.64 3b71 s LEU 917 CO 0.20 0.09 1.09 -0.62 0.23 0.00 0.00 176.35 177.34 3b71 s ASP 918 N -1.28 7.26 0.00 2.29 3.68 -1.26 -4.98 116.67 122.38 3b71 s ASP 918 Ca 0.05 1.95 0.09 0.00 2.13 0.00 0.00 52.55 56.77 3b71 s ASP 918 Cb -0.09 -2.59 0.27 0.00 -1.45 0.00 0.00 42.92 39.06 3b71 s ASP 918 CO 0.02 -0.28 1.22 0.54 0.13 0.00 0.00 175.17 176.80 3b71 n ARG 919 N 3.15 2.84 0.05 4.34 5.12 -1.26 -4.50 116.66 126.39 3b71 n ARG 919 Ca 0.05 -1.97 0.12 0.00 -1.93 0.00 0.00 57.85 54.12 3b71 n ARG 919 Cb 0.47 -1.24 0.19 0.00 -1.16 0.00 0.00 32.46 30.73 3b71 n ARG 919 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3b71 n SER 920 N 0.41 0.66 -1.23 0.55 3.41 -1.26 -3.65 113.62 112.51 3b71 n SER 920 Ca 0.10 0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 3b71 n SER 920 Cb 0.40 0.15 0.13 0.00 -0.26 0.00 0.00 64.21 64.63 3b71 n SER 920 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3b71 n ASN 921 N -2.02 2.66 -4.06 4.04 5.03 -1.26 -5.02 115.26 114.64 3b71 n ASN 921 Ca 0.04 -3.62 -0.34 0.00 0.87 0.00 0.00 54.58 51.53 3b71 n ASN 921 Cb 0.42 -0.45 -0.13 0.00 -1.02 0.00 0.00 39.78 38.61 3b71 n ASN 921 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3b71 s ASP 922 N -3.28 4.99 0.14 6.41 -1.08 -1.24 -4.91 116.67 117.69 3b71 s ASP 922 Ca 0.41 -2.25 0.03 0.00 -0.52 0.00 0.00 52.55 50.22 3b71 s ASP 922 Cb 0.38 -1.74 -0.11 0.00 -1.46 0.00 0.00 42.92 39.99 3b71 s ASP 922 CO -0.04 -0.44 1.31 0.11 0.52 0.00 0.00 175.17 176.63 3b71 h LYS 923 N 7.64 0.12 -0.42 4.34 1.79 -1.95 -1.12 116.57 126.97 3b71 h LYS 923 Ca -0.08 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 3b71 h LYS 923 Cb 1.01 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 3b71 h LYS 923 CO 0.63 1.00 -0.01 0.28 -1.08 0.00 0.00 179.45 180.28 3b71 h VAL 924 N 0.05 1.23 -0.26 0.50 2.07 -1.93 0.26 116.25 118.17 3b71 h VAL 924 Ca -0.05 -0.94 -0.19 0.00 0.82 0.00 0.00 66.70 66.34 3b71 h VAL 924 Cb 1.67 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3b71 h VAL 924 CO 0.14 0.33 -0.60 0.22 0.02 0.00 0.00 177.57 177.68 3b71 h TYR 925 N 0.65 1.10 -0.10 1.57 5.03 -1.89 -1.25 116.97 122.07 3b71 h TYR 925 Ca 0.13 -0.41 -0.00 0.00 2.58 0.00 0.00 58.73 61.02 3b71 h TYR 925 Cb 0.41 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.49 3b71 h TYR 925 CO 0.02 1.24 0.04 1.49 -1.32 0.00 0.00 178.16 179.63 3b71 h GLU 926 N 0.64 0.14 0.78 1.82 4.81 -0.84 0.11 114.58 122.04 3b71 h GLU 926 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3b71 h GLU 926 Cb 1.21 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.58 3b71 h GLU 926 CO 0.13 0.24 -0.37 -0.91 -0.73 0.00 0.00 179.01 177.37 3b71 h ASN 927 N 0.01 -0.88 -0.92 1.04 -0.26 -0.39 0.47 115.58 114.65 3b71 h ASN 927 Ca 0.03 0.01 0.20 0.00 -0.56 0.00 0.00 56.30 55.99 3b71 h ASN 927 Cb 0.15 0.23 -0.17 0.00 -1.06 0.00 0.00 38.32 37.46 3b71 h ASN 927 CO -0.00 -0.56 -0.16 0.58 -1.06 0.00 0.00 177.43 176.22 3b71 h VAL 928 N -1.16 0.09 -0.12 2.81 2.07 -1.30 0.16 116.25 118.79 3b71 h VAL 928 Ca -0.11 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3b71 h VAL 928 Cb 0.81 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3b71 h VAL 928 CO 0.17 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.49 3b71 h THR 929 N 0.01 0.90 -0.94 2.57 2.02 0.12 -0.89 112.91 116.71 3b71 h THR 929 Ca 0.47 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 3b71 h THR 929 Cb 0.78 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3b71 h THR 929 CO -0.92 0.00 0.56 1.23 0.37 0.00 0.00 175.52 176.76 3b71 h GLY 930 N 0.02 1.36 1.00 2.16 0.00 0.11 -0.26 103.07 107.47 3b71 h GLY 930 Ca 0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3b71 h GLY 930 CO -0.11 0.55 0.18 -2.00 0.00 0.00 0.00 176.54 175.16 3b71 h LEU 931 N 1.29 0.85 -0.63 3.11 5.85 -0.43 -1.26 115.31 124.10 3b71 h LEU 931 Ca 0.34 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3b71 h LEU 931 Cb -0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3b71 h LEU 931 CO -0.06 0.84 0.01 0.58 -0.34 0.00 0.00 178.44 179.47 3b71 h VAL 932 N 0.83 1.27 -0.58 1.05 2.07 -0.68 -1.86 116.25 118.34 3b71 h VAL 932 Ca 0.19 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.65 3b71 h VAL 932 Cb 0.29 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3b71 h VAL 932 CO -0.00 0.42 0.21 0.11 0.02 0.00 0.00 177.57 178.33 3b71 h LYS 933 N 0.99 0.38 0.08 1.57 1.79 -0.67 0.36 116.57 121.08 3b71 h LYS 933 Ca 0.18 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3b71 h LYS 933 Cb 0.55 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3b71 h LYS 933 CO 0.03 0.25 -0.15 0.00 -1.08 0.00 0.00 179.45 178.50 3b71 h ALA 934 N 1.40 -0.24 -0.72 3.86 0.00 -0.83 0.24 119.26 122.97 3b71 h ALA 934 Ca 0.29 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.30 3b71 h ALA 934 Cb 0.35 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3b71 h ALA 934 CO -0.29 -0.67 0.30 0.28 0.00 0.00 0.00 179.25 178.86 3b71 h VAL 935 N -0.29 0.72 -0.18 0.00 2.07 -0.62 -0.98 116.25 116.96 3b71 h VAL 935 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3b71 h VAL 935 Cb 0.32 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3b71 h VAL 935 CO -0.09 0.09 0.08 0.40 0.02 0.00 0.00 177.57 178.07 3b71 h ILE 936 N 0.47 1.14 -0.20 4.57 2.04 0.20 -2.28 117.51 123.46 3b71 h ILE 936 Ca 0.38 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3b71 h ILE 936 Cb 0.53 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3b71 h ILE 936 CO -0.36 0.13 -0.15 -0.08 0.00 0.00 0.00 178.15 177.69 3b71 h GLU 937 N 0.15 -0.04 -0.94 2.37 4.57 -0.44 -0.06 114.58 120.19 3b71 h GLU 937 Ca 0.06 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.44 3b71 h GLU 937 Cb 0.14 0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 28.56 3b71 h GLU 937 CO -0.01 -0.03 -0.19 -0.12 -1.18 0.00 0.00 179.01 177.49 3b71 n MET 938 N -3.51 -0.08 0.00 1.92 1.56 -0.42 -2.22 117.12 114.36 3b71 n MET 938 Ca -0.00 1.45 -0.06 0.00 -0.27 0.00 0.00 57.70 58.82 3b71 n MET 938 Cb 0.08 -2.19 0.12 0.00 2.15 0.00 0.00 33.22 33.38 3b71 n MET 938 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 3b71 h SER 939 N 0.00 0.56 0.09 6.12 0.02 -0.43 -0.16 113.55 119.76 3b71 h SER 939 Ca 0.47 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3b71 h SER 939 Cb 0.77 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3b71 h SER 939 CO -0.95 0.89 -0.05 0.28 -1.14 0.00 0.00 176.83 175.86 3b71 h SER 940 N 0.45 -0.11 1.74 3.07 0.02 -0.89 -3.32 113.55 114.51 3b71 h SER 940 Ca 0.04 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3b71 h SER 940 Cb 0.86 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3b71 h SER 940 CO 0.07 0.04 -0.10 0.11 -1.14 0.00 0.00 176.83 175.81 3b71 h LYS 941 N -0.26 0.00 -0.52 3.45 6.56 -1.23 -3.38 116.57 121.19 3b71 h LYS 941 Ca -0.01 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.46 3b71 h LYS 941 Cb 0.21 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 3b71 h LYS 941 CO 0.02 0.10 -0.15 0.97 -2.06 0.00 0.00 179.45 178.34 3b71 h ILE 942 N 0.00 1.27 -0.29 1.86 2.10 -1.12 -3.30 117.51 118.02 3b71 h ILE 942 Ca -0.00 -1.31 0.03 0.00 1.08 0.00 0.00 64.86 64.65 3b71 h ILE 942 Cb 1.00 1.02 -0.03 0.00 -1.09 0.00 0.00 36.82 37.72 3b71 h ILE 942 CO 0.01 0.46 -0.17 1.67 -1.08 0.00 0.00 178.15 179.04 3b71 n GLN 943 N -4.13 -0.13 0.00 2.19 -0.06 -1.26 -1.33 117.38 112.66 3b71 n GLN 943 Ca 0.01 0.90 0.14 0.00 -2.00 0.00 0.00 57.00 56.05 3b71 n GLN 943 Cb 0.43 -1.34 0.54 0.00 -4.06 0.00 0.00 30.24 25.81 3b71 n GLN 943 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3b71 n PRO 944 N -3.59 0.17 -2.12 3.69 -0.04 -1.25 -4.96 135.00 126.90 3b71 n PRO 944 Ca 0.01 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 3b71 n PRO 944 Cb 0.08 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.86 3.59 0.69 0.55 0.00 -0.44 -5.04 121.76 118.25 3b71 s ALA 945 Ca 0.17 1.21 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 3b71 s ALA 945 Cb 0.19 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.82 3b71 s ALA 945 CO 0.56 -0.64 1.04 -1.25 0.00 0.00 0.00 175.76 175.47 3b71 s PRO 946 N 0.05 2.55 0.31 0.00 0.05 -1.26 -4.69 135.00 132.01 3b71 s PRO 946 Ca 0.60 0.10 0.08 0.00 0.05 0.00 0.00 61.00 61.82 3b71 s PRO 946 Cb -0.39 -2.11 0.84 0.00 0.05 0.00 0.00 34.50 32.89 3b71 s PRO 946 CO 0.38 -1.10 1.73 -1.00 0.05 0.00 0.00 177.00 177.06 3b71 h PRO 947 N -0.58 0.55 0.00 0.56 0.13 -1.96 0.23 132.00 130.93 3b71 h PRO 947 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3b71 h PRO 947 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3b71 h PRO 947 CO 0.63 0.36 0.00 0.39 -0.23 0.00 0.00 178.00 179.15 3b71 n GLU 948 N -4.90 0.12 -0.06 0.86 4.71 -1.26 -0.91 120.64 119.20 3b71 n GLU 948 Ca 0.26 0.21 -0.10 0.00 -0.01 0.00 0.00 57.16 57.52 3b71 n GLU 948 Cb 0.71 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.58 3b71 n GLU 948 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3b71 n GLU 949 N -1.30 0.30 -0.12 3.49 1.02 0.68 -4.56 120.64 120.15 3b71 n GLU 949 Ca 0.04 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3b71 n GLU 949 Cb 0.07 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.09 0.99 -0.58 -0.32 -0.00 -0.78 -2.94 116.97 113.25 3b71 h TYR 950 Ca -0.28 -0.27 0.12 0.00 0.00 0.00 0.00 58.73 58.30 3b71 h TYR 950 Cb 1.40 -0.22 -0.11 0.00 0.00 0.00 0.00 36.73 37.80 3b71 h TYR 950 CO 0.00 1.04 -0.16 0.28 -0.00 0.00 0.00 178.16 179.33 3b71 h VAL 951 N 0.64 0.40 -0.30 -0.90 2.07 -1.27 0.54 116.25 117.42 3b71 h VAL 951 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3b71 h VAL 951 Cb 0.82 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3b71 h VAL 951 CO 0.07 0.00 0.02 -0.65 0.02 0.00 0.00 177.57 177.03 3b71 h PRO 952 N -0.02 0.46 -0.75 1.57 0.11 -1.78 -1.81 132.00 129.78 3b71 h PRO 952 Ca 0.27 -0.08 0.07 0.00 0.11 0.00 0.00 66.00 66.37 3b71 h PRO 952 Cb 0.44 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 3b71 h PRO 952 CO -0.60 0.47 0.43 0.52 -0.21 0.00 0.00 178.00 178.61 3b71 h MET 953 N 0.44 0.75 -0.60 1.05 2.86 -0.73 0.25 114.93 118.95 3b71 h MET 953 Ca 0.10 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3b71 h MET 953 Cb 0.27 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3b71 h MET 953 CO 0.01 0.49 0.08 0.28 1.06 0.00 0.00 176.91 178.83 3b71 h VAL 954 N 0.77 1.25 -0.21 -2.22 2.07 -0.98 -2.65 116.25 114.29 3b71 h VAL 954 Ca 0.34 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3b71 h VAL 954 Cb 0.23 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3b71 h VAL 954 CO -0.20 0.37 0.06 0.11 0.02 0.00 0.00 177.57 177.93 3b71 h LYS 955 N 0.93 0.14 -0.53 1.57 1.57 -0.23 0.78 116.57 120.80 3b71 h LYS 955 Ca 0.18 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3b71 h LYS 955 Cb 0.43 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 3b71 h LYS 955 CO 0.01 0.10 -0.50 0.93 -0.57 0.00 0.00 179.45 179.41 3b71 h GLU 956 N 0.15 -0.23 -1.02 3.15 4.39 -0.86 0.48 114.58 120.64 3b71 h GLU 956 Ca 0.09 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.05 3b71 h GLU 956 Cb 0.07 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.67 3b71 h GLU 956 CO -0.11 -0.16 0.63 0.28 -1.16 0.00 0.00 179.01 178.50 3b71 h VAL 957 N -0.24 0.56 -0.22 3.13 2.07 -0.95 0.41 116.25 121.00 3b71 h VAL 957 Ca 0.09 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3b71 h VAL 957 Cb 0.48 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3b71 h VAL 957 CO -0.62 0.09 -0.31 1.23 0.02 0.00 0.00 177.57 177.98 3b71 h GLY 958 N 0.52 0.66 0.49 2.17 0.00 0.18 0.95 103.07 108.04 3b71 h GLY 958 Ca 0.61 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 47.25 3b71 h GLY 958 CO -0.37 0.65 -0.11 1.41 0.00 0.00 0.00 176.54 178.12 3b71 h LEU 959 N 0.30 -0.36 -0.71 3.11 3.38 0.26 0.18 115.31 121.47 3b71 h LEU 959 Ca 0.02 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3b71 h LEU 959 Cb 0.89 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3b71 h LEU 959 CO 0.07 -0.15 0.41 0.00 0.09 0.00 0.00 178.44 178.86 3b71 h ALA 960 N 1.03 0.96 -0.58 1.53 0.00 -0.17 -0.55 119.26 121.49 3b71 h ALA 960 Ca 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3b71 h ALA 960 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3b71 h ALA 960 CO -0.24 0.10 -0.05 1.25 0.00 0.00 0.00 179.25 180.31 3b71 h LEU 961 N 0.75 1.04 -0.31 0.00 5.85 0.02 -0.90 115.31 121.75 3b71 h LEU 961 Ca 0.32 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3b71 h LEU 961 Cb 0.19 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3b71 h LEU 961 CO -0.18 1.12 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.92 3b71 h ARG 962 N 0.94 0.57 -0.67 1.25 2.43 0.70 0.75 114.38 120.35 3b71 h ARG 962 Ca 0.16 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3b71 h ARG 962 Cb 0.61 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 3b71 h ARG 962 CO 0.04 0.73 0.38 1.15 -1.51 0.00 0.00 179.97 180.75 3b71 h THR 963 N 0.36 0.98 0.70 0.20 2.02 -1.09 -0.59 112.91 115.50 3b71 h THR 963 Ca 0.08 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3b71 h THR 963 Cb 0.49 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3b71 h THR 963 CO 0.02 0.13 -0.50 0.25 0.37 0.00 0.00 175.52 175.79 3b71 h LEU 964 N 0.70 -1.30 -1.08 2.58 5.85 0.21 -1.55 115.31 120.72 3b71 h LEU 964 Ca 0.30 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.23 3b71 h LEU 964 Cb 0.16 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3b71 h LEU 964 CO -0.17 -0.73 0.62 -0.07 -0.34 0.00 0.00 178.44 177.74 3b71 h LEU 965 N -1.15 0.85 0.16 2.25 3.38 -0.38 0.02 115.31 120.44 3b71 h LEU 965 Ca -0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3b71 h LEU 965 Cb 0.94 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3b71 h LEU 965 CO 0.05 0.44 -0.36 0.00 0.09 0.00 0.00 178.44 178.66 3b71 h ALA 966 N 1.56 -0.91 -0.47 1.53 0.00 -0.86 0.14 119.26 120.26 3b71 h ALA 966 Ca 0.49 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.40 3b71 h ALA 966 Cb 0.57 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 3b71 h ALA 966 CO -0.26 -0.98 -0.26 1.15 0.00 0.00 0.00 179.25 178.91 3b71 h THR 967 N -0.56 0.30 -0.72 0.00 2.02 -0.01 0.38 112.91 114.32 3b71 h THR 967 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 3b71 h THR 967 Cb 0.54 0.30 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 3b71 h THR 967 CO -0.15 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.66 3b71 h VAL 968 N -0.16 0.81 -0.39 3.16 2.07 -1.11 -0.67 116.25 119.97 3b71 h VAL 968 Ca 0.21 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3b71 h VAL 968 Cb 0.49 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3b71 h VAL 968 CO -0.56 0.10 0.29 0.44 0.02 0.00 0.00 177.57 177.87 3b71 h ASP 969 N 0.57 0.00 1.39 0.57 3.32 0.27 0.19 116.42 122.73 3b71 h ASP 969 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3b71 h ASP 969 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3b71 h ASP 969 CO -0.29 0.00 -0.19 -0.33 -1.72 0.00 0.00 179.24 176.70 3b71 h GLU 970 N 0.00 0.00 0.05 3.56 5.08 -0.46 -3.35 114.58 119.46 3b71 h GLU 970 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 3b71 h GLU 970 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3b71 h GLU 970 CO -0.00 0.00 -0.71 1.15 -1.00 0.00 0.00 179.01 178.45 3b71 h THR 971 N 0.00 1.41 -0.59 1.13 2.02 -0.13 -3.39 112.91 113.36 3b71 h THR 971 Ca 0.00 -2.36 0.07 0.00 0.77 0.00 0.00 66.41 64.88 3b71 h THR 971 Cb 0.79 2.98 -0.08 0.00 -1.74 0.00 0.00 68.15 70.11 3b71 h THR 971 CO 0.00 0.59 -0.31 -0.38 0.37 0.00 0.00 175.52 175.79 3b71 n ILE 972 N -4.33 -0.37 1.32 3.11 5.41 -0.99 -0.03 119.36 123.48 3b71 n ILE 972 Ca -0.18 1.41 0.03 0.00 1.00 0.00 0.00 62.75 65.01 3b71 n ILE 972 Cb 0.68 -1.78 0.17 0.00 -0.71 0.00 0.00 39.64 37.99 3b71 n ILE 972 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3b71 n PRO 973 N -4.78 0.66 0.00 0.38 -0.02 -1.26 0.97 135.00 130.95 3b71 n PRO 973 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.62 3b71 n PRO 973 Cb 0.18 -1.14 0.08 0.00 -0.02 0.00 0.00 33.50 32.61 3b71 n PRO 973 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3b71 n LEU 974 N -0.64 1.70 -4.87 2.45 4.77 0.96 -5.00 117.00 116.38 3b71 n LEU 974 Ca 0.04 -0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 55.20 3b71 n LEU 974 Cb 0.02 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3b71 n LEU 974 CO 0.03 0.32 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.53 3b71 s LEU 975 N -2.53 3.99 0.21 2.23 1.43 0.27 -5.00 118.68 119.29 3b71 s LEU 975 Ca 0.19 -0.14 -0.32 0.00 -1.03 0.00 0.00 54.13 52.83 3b71 s LEU 975 Cb 0.18 -2.52 -0.13 0.00 0.03 0.00 0.00 46.19 43.75 3b71 s LEU 975 CO 0.58 -0.05 1.55 -2.65 0.23 0.00 0.00 176.35 176.01 3b71 n PRO 976 N -1.24 2.28 -0.26 1.29 -0.02 -1.26 -4.84 135.00 130.95 3b71 n PRO 976 Ca -0.08 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.41 3b71 n PRO 976 Cb 0.58 -2.57 0.49 0.00 -0.02 0.00 0.00 33.50 31.98 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 5.35 2.16 -0.88 3.55 0.00 -1.97 0.12 119.26 127.59 3b71 h ALA 977 Ca -0.45 0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.68 3b71 h ALA 977 Cb 1.25 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3b71 h ALA 977 CO 0.84 -0.47 0.58 0.66 0.00 0.00 0.00 179.25 180.87 3b71 h SER 978 N 0.44 0.42 0.14 0.00 4.64 -2.02 -1.86 113.55 115.32 3b71 h SER 978 Ca 0.49 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3b71 h SER 978 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3b71 h SER 978 CO -0.21 0.18 -0.55 0.35 -0.87 0.00 0.00 176.83 175.73 3b71 n THR 979 N -4.51 0.00 0.11 2.95 -2.24 0.02 -4.09 114.28 106.51 3b71 n THR 979 Ca 0.19 -0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 3b71 n THR 979 Cb 0.66 0.79 0.56 0.00 -2.10 0.00 0.00 70.33 70.24 3b71 n THR 979 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3b71 h HIS 980 N 1.11 0.22 0.12 4.78 3.86 -1.16 -2.70 115.15 121.38 3b71 h HIS 980 Ca 0.00 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3b71 h HIS 980 Cb 0.59 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 29.00 3b71 h HIS 980 CO 0.00 0.13 -0.77 -0.09 0.86 0.00 0.00 177.93 178.06 3b71 h ARG 981 N 0.23 0.25 -0.01 2.45 9.65 -1.72 -2.90 114.38 122.33 3b71 h ARG 981 Ca 0.11 -0.42 0.02 0.00 -1.10 0.00 0.00 59.98 58.58 3b71 h ARG 981 Cb 0.14 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 3b71 h ARG 981 CO -0.02 1.20 -0.10 1.49 2.80 0.00 0.00 179.97 185.35 3b71 h GLU 982 N -0.46 -0.16 -0.96 0.20 4.81 -1.78 -3.02 114.58 113.21 3b71 h GLU 982 Ca -0.14 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3b71 h GLU 982 Cb 1.56 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.92 3b71 h GLU 982 CO 0.12 -0.10 0.63 0.82 -0.73 0.00 0.00 179.01 179.74 3b71 h ILE 983 N -0.16 1.14 -0.95 2.32 2.04 -1.56 -1.55 117.51 118.79 3b71 h ILE 983 Ca 0.04 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.60 3b71 h ILE 983 Cb 0.21 -0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.08 3b71 h ILE 983 CO -0.11 0.22 0.61 -0.33 0.00 0.00 0.00 178.15 178.54 3b71 h GLU 984 N 1.18 0.93 -0.05 2.37 5.08 -1.38 0.19 114.58 122.90 3b71 h GLU 984 Ca 0.39 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 3b71 h GLU 984 Cb 0.05 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.10 3b71 h GLU 984 CO -0.13 0.62 -0.47 0.52 -1.00 0.00 0.00 179.01 178.55 3b71 h MET 985 N 0.96 0.40 -0.84 2.33 2.86 -1.22 -1.96 114.93 117.46 3b71 h MET 985 Ca 0.45 -0.37 0.20 0.00 -2.06 0.00 0.00 59.70 57.92 3b71 h MET 985 Cb 0.43 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 32.06 3b71 h MET 985 CO -0.21 1.02 0.32 0.00 1.06 0.00 0.00 176.91 179.10 3b71 h ALA 986 N 0.39 1.27 0.24 6.32 0.00 -0.75 -2.03 119.26 124.70 3b71 h ALA 986 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3b71 h ALA 986 Cb 1.15 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3b71 h ALA 986 CO 0.10 -0.33 -0.12 1.96 0.00 0.00 0.00 179.25 180.86 3b71 h GLN 987 N 0.37 -0.32 -0.81 0.00 4.20 0.04 -2.50 115.11 116.10 3b71 h GLN 987 Ca 0.51 0.02 0.19 0.00 0.06 0.00 0.00 58.65 59.43 3b71 h GLN 987 Cb 0.92 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 28.65 3b71 h GLN 987 CO -0.52 -0.19 0.17 0.87 -0.67 0.00 0.00 178.83 178.50 3b71 h LYS 988 N -0.36 0.21 -0.67 1.46 6.56 -0.70 -0.99 116.57 122.08 3b71 h LYS 988 Ca -0.03 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3b71 h LYS 988 Cb 0.28 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.86 3b71 h LYS 988 CO 0.06 0.14 0.42 1.25 -2.06 0.00 0.00 179.45 179.25 3b71 h LEU 989 N 0.21 0.79 -0.46 2.94 5.85 -1.11 -1.76 115.31 121.78 3b71 h LEU 989 Ca 0.48 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.23 3b71 h LEU 989 Cb 0.88 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 3b71 h LEU 989 CO -0.60 0.60 0.05 -0.07 -0.34 0.00 0.00 178.44 178.08 3b71 h LEU 990 N 0.91 -0.08 0.02 2.25 3.38 -0.75 0.47 115.31 121.50 3b71 h LEU 990 Ca 0.24 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3b71 h LEU 990 Cb -0.06 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3b71 h LEU 990 CO -0.05 -0.01 -0.25 0.78 0.09 0.00 0.00 178.44 179.00 3b71 h ASN 991 N 0.17 -0.74 -0.96 -0.43 2.35 -0.97 0.06 115.58 115.07 3b71 h ASN 991 Ca 0.23 0.10 0.18 0.00 -0.55 0.00 0.00 56.30 56.26 3b71 h ASN 991 Cb 0.31 0.30 -0.09 0.00 0.05 0.00 0.00 38.32 38.90 3b71 h ASN 991 CO -0.33 -0.32 0.61 -1.28 -1.65 0.00 0.00 177.43 174.45 3b71 h SER 992 N -0.40 0.65 -0.87 5.81 0.87 -1.15 1.08 113.55 119.54 3b71 h SER 992 Ca 0.06 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3b71 h SER 992 Cb 0.48 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 3b71 h SER 992 CO -0.21 0.27 0.57 0.44 -0.53 0.00 0.00 176.83 177.36 3b71 h ASP 993 N 0.65 0.97 -0.36 6.23 5.19 0.14 -2.20 116.42 127.05 3b71 h ASP 993 Ca 0.52 -0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.75 3b71 h ASP 993 Cb 0.93 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 3b71 h ASP 993 CO -0.27 0.69 -0.39 0.25 -3.12 0.00 0.00 179.24 176.39 3b71 h LEU 994 N 1.14 0.97 -0.88 1.55 5.85 0.14 -2.57 115.31 121.50 3b71 h LEU 994 Ca 0.33 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3b71 h LEU 994 Cb -0.08 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 40.57 3b71 h LEU 994 CO -0.09 1.25 -0.58 1.23 -0.34 0.00 0.00 178.44 179.91 3b71 h GLY 995 N 0.71 -0.89 0.84 3.75 0.00 0.14 0.63 103.07 108.25 3b71 h GLY 995 Ca 0.05 0.79 0.04 0.00 0.00 0.00 0.00 47.33 48.22 3b71 h GLY 995 CO 0.10 0.01 0.66 -2.09 0.00 0.00 0.00 176.54 175.21 3b71 h GLU 996 N -0.07 1.21 -0.45 4.80 4.81 -1.28 0.72 114.58 124.32 3b71 h GLU 996 Ca 0.14 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3b71 h GLU 996 Cb 0.44 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3b71 h GLU 996 CO -0.87 0.80 0.11 1.25 -0.73 0.00 0.00 179.01 179.57 3b71 h LEU 997 N 1.25 0.69 -0.04 1.64 5.85 -0.85 -2.03 115.31 121.83 3b71 h LEU 997 Ca 0.41 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3b71 h LEU 997 Cb 0.04 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3b71 h LEU 997 CO -0.14 0.75 0.01 0.40 -0.34 0.00 0.00 178.44 179.12 3b71 h ILE 998 N 0.61 0.99 -1.00 4.05 2.04 -0.13 -1.62 117.51 122.44 3b71 h ILE 998 Ca 0.14 -0.01 0.19 0.00 1.00 0.00 0.00 64.86 66.19 3b71 h ILE 998 Cb 0.33 0.96 -0.11 0.00 -0.74 0.00 0.00 36.82 37.26 3b71 h ILE 998 CO 0.00 0.00 0.61 0.78 0.00 0.00 0.00 178.15 179.55 3b71 h ASN 999 N 0.03 0.78 0.08 1.72 4.21 -0.61 -0.50 115.58 121.29 3b71 h ASN 999 Ca 0.02 0.10 -0.27 0.00 1.21 0.00 0.00 56.30 57.35 3b71 h ASN 999 Cb 0.01 -0.04 0.02 0.00 -1.12 0.00 0.00 38.32 37.19 3b71 h ASN 999 CO -0.02 0.27 -1.10 0.11 -1.29 0.00 0.00 177.43 175.40 3b71 h LYS 1000N 0.75 0.65 -0.97 0.81 1.79 -1.11 -2.84 116.57 115.65 3b71 h LYS 1000Ca 0.58 -0.75 0.13 0.00 -2.18 0.00 0.00 60.65 58.42 3b71 h LYS 1000Cb 0.92 0.23 -0.08 0.00 -1.58 0.00 0.00 32.23 31.71 3b71 h LYS 1000CO -0.38 1.33 0.62 1.98 -1.08 0.00 0.00 179.45 181.92 3b71 h MET 1001N 0.34 0.88 -0.50 3.15 4.05 -0.14 -0.11 114.93 122.60 3b71 h MET 1001Ca -0.14 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.16 3b71 h MET 1001Cb 1.76 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 32.34 3b71 h MET 1001CO 0.21 0.58 0.07 0.87 0.23 0.00 0.00 176.91 178.88 3b71 h LYS 1002N 0.91 0.79 -0.22 0.39 1.79 -1.03 -2.60 116.57 116.60 3b71 h LYS 1002Ca 0.49 -0.18 -0.14 0.00 -2.18 0.00 0.00 60.65 58.64 3b71 h LYS 1002Cb 0.56 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3b71 h LYS 1002CO -0.25 0.75 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.39 3b71 h LEU 1003N 0.76 0.75 -1.58 2.94 3.38 -1.05 -2.56 115.31 117.94 3b71 h LEU 1003Ca 0.16 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.73 3b71 h LEU 1003Cb 0.35 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3b71 h LEU 1003CO 0.01 1.14 0.49 0.00 0.09 0.00 0.00 178.44 180.17 3b71 h ALA 1004N 0.62 2.09 0.02 1.53 0.00 -0.76 -2.79 119.26 119.98 3b71 h ALA 1004Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b71 h ALA 1004Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3b71 h ALA 1004CO 0.09 -0.29 -0.01 1.96 0.00 0.00 0.00 179.25 181.00 3b71 h GLN 1005N 0.42 -0.03 -0.83 0.00 4.20 -1.24 -3.22 115.11 114.41 3b71 h GLN 1005Ca 0.36 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.31 3b71 h GLN 1005Cb 0.80 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3b71 h GLN 1005CO -0.12 0.70 0.66 1.96 -0.67 0.00 0.00 178.83 181.36 3b71 h GLN 1006N -0.84 0.00 -0.62 1.46 4.20 -1.26 -2.60 115.11 115.46 3b71 h GLN 1006Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 3b71 h GLN 1006Cb 0.74 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.33 3b71 h GLN 1006CO 0.00 0.00 0.22 0.66 -0.67 0.00 0.00 178.83 179.05 3b71 n TYR 1007N -4.08 1.91 0.50 2.96 4.02 -1.07 -4.66 117.16 116.74 3b71 n TYR 1007Ca 0.17 -1.71 0.12 0.00 -0.01 0.00 0.00 57.90 56.47 3b71 n TYR 1007Cb 0.95 -0.68 0.46 0.00 -0.02 0.00 0.00 39.34 40.05 3b71 n TYR 1007CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3b71 n VAL 1008N -1.13 0.73 0.38 -0.72 3.14 -0.98 -1.70 118.33 118.05 3b71 n VAL 1008Ca 0.44 0.07 0.11 0.00 -2.96 0.00 0.00 64.34 62.01 3b71 n VAL 1008Cb 1.30 -0.95 0.19 0.00 -1.06 0.00 0.00 33.84 33.32 3b71 n VAL 1008CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 3b71 n MET 1009N -2.16 2.42 -4.42 1.45 2.81 -1.26 -4.99 117.12 110.97 3b71 n MET 1009Ca 0.03 -2.20 -0.21 0.00 -1.81 0.00 0.00 57.70 53.52 3b71 n MET 1009Cb 0.29 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.51 1.27 0.23 2.03 -4.23 -0.69 -5.05 115.64 107.69 3b71 s THR 1010Ca 0.36 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3b71 s THR 1010Cb 0.21 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.71 3b71 s THR 1010CO 0.30 -0.13 1.61 0.77 -0.54 0.00 0.00 174.62 176.63 3b71 h SER 1011N 2.22 -0.72 0.00 3.99 4.64 -1.96 -2.05 113.55 119.67 3b71 h SER 1011Ca -0.40 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3b71 h SER 1011Cb 1.24 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3b71 h SER 1011CO 0.68 -0.25 0.00 0.18 -0.87 0.00 0.00 176.83 176.58 3b71 n LEU 1012N -5.48 0.00 -0.24 5.97 4.77 -1.26 -1.76 117.00 119.00 3b71 n LEU 1012Ca 0.09 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3b71 n LEU 1012Cb 0.37 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3b71 n LEU 1012CO 0.00 -0.06 1.15 -0.61 -1.33 0.00 0.00 177.39 176.54 3b71 h GLN 1013N 0.00 0.90 0.00 3.23 5.75 -1.34 -2.22 115.11 121.43 3b71 h GLN 1013Ca 0.00 -0.06 -0.20 0.00 -0.15 0.00 0.00 58.65 58.24 3b71 h GLN 1013Cb 0.01 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3b71 h GLN 1013CO 0.00 0.60 -0.97 1.96 -2.65 0.00 0.00 178.83 177.77 3b71 h GLN 1014N 0.92 0.00 0.45 1.69 1.08 -1.58 0.02 115.11 117.68 3b71 h GLN 1014Ca 0.25 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 3b71 h GLN 1014Cb -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3b71 h GLN 1014CO -0.05 0.86 -0.22 1.49 -0.95 0.00 0.00 178.83 179.96 3b71 h GLU 1015N 0.00 -0.58 -0.23 1.46 4.57 -1.72 -1.35 114.58 116.72 3b71 h GLU 1015Ca -0.03 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3b71 h GLU 1015Cb 1.72 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.43 3b71 h GLU 1015CO 0.11 -0.28 0.16 1.88 -1.18 0.00 0.00 179.01 179.70 3b71 h TYR 1016N -0.97 0.19 -0.48 0.92 0.05 -1.34 0.24 116.97 115.58 3b71 h TYR 1016Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3b71 h TYR 1016Cb 0.57 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 3b71 h TYR 1016CO 0.02 0.11 0.25 0.87 -1.05 0.00 0.00 178.16 178.36 3b71 h LYS 1017N 0.19 0.68 -0.56 4.88 1.57 -0.93 -1.93 116.57 120.47 3b71 h LYS 1017Ca 0.10 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3b71 h LYS 1017Cb 0.15 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3b71 h LYS 1017CO -0.02 0.55 0.31 0.87 -0.57 0.00 0.00 179.45 180.59 3b71 h LYS 1018N 0.63 0.58 0.00 3.15 1.57 0.60 -1.26 116.57 121.84 3b71 h LYS 1018Ca 0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3b71 h LYS 1018Cb 0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3b71 h LYS 1018CO -0.02 0.39 -0.08 1.96 -0.57 0.00 0.00 179.45 181.12 3b71 h GLN 1019N 0.60 0.00 0.09 3.15 4.20 -0.84 -1.97 115.11 120.35 3b71 h GLN 1019Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3b71 h GLN 1019Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3b71 h GLN 1019CO -0.14 0.08 -0.04 0.52 -0.67 0.00 0.00 178.83 178.58 3b71 h MET 1020N 0.00 -0.12 -0.67 1.46 2.86 -0.44 -2.04 114.93 115.97 3b71 h MET 1020Ca -0.00 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3b71 h MET 1020Cb 0.17 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3b71 h MET 1020CO 0.01 0.02 0.44 -0.07 1.06 0.00 0.00 176.91 178.37 3b71 h LEU 1021N -0.24 0.74 -0.37 1.22 3.38 -1.02 0.53 115.31 119.55 3b71 h LEU 1021Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3b71 h LEU 1021Cb 0.20 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3b71 h LEU 1021CO 0.02 0.53 -0.35 0.74 0.09 0.00 0.00 178.44 179.47 3b71 h THR 1022N 0.88 0.21 -0.48 0.22 2.02 -1.35 1.43 112.91 115.83 3b71 h THR 1022Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 3b71 h THR 1022Cb -0.05 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 3b71 h THR 1022CO -0.08 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.79 3b71 h ALA 1023N 0.65 1.05 -0.30 6.16 0.00 -0.45 -0.67 119.26 125.69 3b71 h ALA 1023Ca 0.16 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3b71 h ALA 1023Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3b71 h ALA 1023CO -0.53 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.26 3b71 h ALA 1024N 1.21 0.41 -0.16 0.00 0.00 0.82 -2.59 119.26 118.95 3b71 h ALA 1024Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3b71 h ALA 1024Cb 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3b71 h ALA 1024CO 0.02 0.21 -0.41 1.25 0.00 0.00 0.00 179.25 180.32 3b71 h HIS 1025N 0.34 -1.18 -0.84 0.00 6.17 0.26 -2.34 115.15 117.56 3b71 h HIS 1025Ca 0.08 0.05 0.13 0.00 0.71 0.00 0.00 60.37 61.34 3b71 h HIS 1025Cb 0.52 0.54 -0.14 0.00 2.52 0.00 0.00 27.41 30.85 3b71 h HIS 1025CO 0.05 -0.47 -0.38 0.00 0.71 0.00 0.00 177.93 177.84 3b71 h ALA 1026N 0.18 0.05 -0.14 5.26 0.00 -1.06 -1.09 119.26 122.46 3b71 h ALA 1026Ca 0.08 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3b71 h ALA 1026Cb 0.62 0.95 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 3b71 h ALA 1026CO -0.41 -0.66 -0.21 1.25 0.00 0.00 0.00 179.25 179.22 3b71 h LEU 1027N -0.07 -0.64 -0.21 0.00 5.85 -1.09 0.82 115.31 119.97 3b71 h LEU 1027Ca 0.30 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.18 3b71 h LEU 1027Cb 0.58 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3b71 h LEU 1027CO -0.87 -0.26 -0.21 0.00 -0.34 0.00 0.00 178.44 176.76 3b71 h ALA 1028N 0.74 -0.10 -0.41 1.25 0.00 -0.71 0.28 119.26 120.32 3b71 h ALA 1028Ca 0.10 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3b71 h ALA 1028Cb 0.41 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3b71 h ALA 1028CO -0.29 -0.64 0.11 0.28 0.00 0.00 0.00 179.25 178.71 3b71 h VAL 1029N -0.23 0.82 -0.42 0.00 2.07 -0.03 0.14 116.25 118.60 3b71 h VAL 1029Ca 0.13 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 3b71 h VAL 1029Cb 0.42 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3b71 h VAL 1029CO -0.34 0.05 -0.16 0.44 0.02 0.00 0.00 177.57 177.58 3b71 h ASP 1030N 0.25 0.78 0.40 0.57 3.32 -0.11 0.15 116.42 121.78 3b71 h ASP 1030Ca 0.19 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3b71 h ASP 1030Cb 0.21 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3b71 h ASP 1030CO -0.23 0.94 -0.03 0.00 -1.72 0.00 0.00 179.24 178.20 3b71 h ALA 1031N 1.13 1.09 0.04 3.45 0.00 0.20 -0.11 119.26 125.06 3b71 h ALA 1031Ca 0.11 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3b71 h ALA 1031Cb 0.65 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3b71 h ALA 1031CO 0.05 0.04 -1.20 0.87 0.00 0.00 0.00 179.25 179.00 3b71 h LYS 1032N 0.00 0.09 -0.99 0.00 1.57 0.15 -2.96 116.57 114.42 3b71 h LYS 1032Ca -0.00 -0.15 0.35 0.00 -1.87 0.00 0.00 60.65 58.98 3b71 h LYS 1032Cb 0.24 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 32.43 3b71 h LYS 1032CO 0.00 1.07 0.34 -0.91 -0.57 0.00 0.00 179.45 179.39 3b71 h ASN 1033N -0.71 0.01 0.00 0.86 2.35 -0.85 -1.48 115.58 115.76 3b71 h ASN 1033Ca -0.30 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3b71 h ASN 1033Cb 1.45 0.35 0.00 0.00 0.05 0.00 0.00 38.32 40.17 3b71 h ASN 1033CO -0.08 -0.39 0.00 -0.11 -1.65 0.00 0.00 177.43 175.20 3b71 n LEU 1034N -5.34 0.00 -0.21 1.61 7.94 -0.07 -0.98 117.00 119.94 3b71 n LEU 1034Ca 0.32 0.84 0.04 0.00 -1.11 0.00 0.00 56.01 56.10 3b71 n LEU 1034Cb 1.06 -0.34 0.09 0.00 0.53 0.00 0.00 43.42 44.76 3b71 n LEU 1034CO -0.02 -0.34 0.40 -0.11 -1.11 0.00 0.00 177.39 176.21 3b71 n LEU 1035N -1.84 -0.20 -0.19 -1.96 7.94 -0.99 0.54 117.00 120.30 3b71 n LEU 1035Ca 0.00 1.02 -0.07 0.00 -1.11 0.00 0.00 56.01 55.85 3b71 n LEU 1035Cb 0.00 -0.31 0.03 0.00 0.53 0.00 0.00 43.42 43.66 3b71 n LEU 1035CO 0.00 -0.98 1.10 0.44 -1.11 0.00 0.00 177.39 176.84 3b71 h ASP 1036N 0.00 0.63 -0.84 1.96 3.32 -0.36 0.30 116.42 121.43 3b71 h ASP 1036Ca 0.29 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.36 3b71 h ASP 1036Cb 0.46 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3b71 h ASP 1036CO -0.61 0.46 0.54 0.58 -1.72 0.00 0.00 179.24 178.49 3b71 h VAL 1037N 0.74 1.12 0.00 -1.35 2.07 0.19 -0.23 116.25 118.79 3b71 h VAL 1037Ca 0.20 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3b71 h VAL 1037Cb -0.09 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3b71 h VAL 1037CO -0.04 0.19 -0.05 0.40 0.02 0.00 0.00 177.57 178.08 3b71 h ILE 1038N 1.04 0.12 0.02 4.57 2.04 -0.26 -0.71 117.51 124.33 3b71 h ILE 1038Ca 0.34 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3b71 h ILE 1038Cb 0.03 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3b71 h ILE 1038CO -0.12 0.05 -0.01 0.44 0.00 0.00 0.00 178.15 178.51 3b71 h ASP 1039N 0.00 -0.03 -1.09 1.72 3.32 0.13 -1.82 116.42 118.65 3b71 h ASP 1039Ca -0.00 -0.68 0.31 0.00 0.02 0.00 0.00 57.03 56.68 3b71 h ASP 1039Cb 0.69 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 3b71 h ASP 1039CO 0.01 0.69 0.77 1.56 -1.72 0.00 0.00 179.24 180.55 3b71 h GLN 1040N -0.78 0.09 0.28 3.56 1.08 -1.11 -1.22 115.11 117.01 3b71 h GLN 1040Ca -0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3b71 h GLN 1040Cb 0.70 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3b71 h GLN 1040CO 0.01 0.06 -0.13 0.00 -0.95 0.00 0.00 178.83 177.81 3b71 h ALA 1041N 1.49 -0.38 -0.71 3.87 0.00 -1.03 -2.68 119.26 119.82 3b71 h ALA 1041Ca 0.54 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.42 3b71 h ALA 1041Cb 1.97 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.78 3b71 h ALA 1041CO -0.08 -0.45 0.04 0.00 0.00 0.00 0.00 179.25 178.77 3b71 h ARG 1042N -0.91 0.13 -0.05 0.00 3.08 -0.43 -2.38 114.38 113.82 3b71 h ARG 1042Ca -0.04 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3b71 h ARG 1042Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3b71 h ARG 1042CO 0.06 0.09 -0.54 -0.07 -1.07 0.00 0.00 179.97 178.44 3b71 h LEU 1043N 0.14 0.15 -0.83 3.04 3.38 -1.25 -0.47 115.31 119.46 3b71 h LEU 1043Ca 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3b71 h LEU 1043Cb 0.67 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3b71 h LEU 1043CO -0.60 0.66 0.40 0.11 0.09 0.00 0.00 178.44 179.11 3b71 h LYS 1044N 0.11 1.19 -0.18 1.13 1.57 -1.26 0.12 116.57 119.25 3b71 h LYS 1044Ca -0.00 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 3b71 h LYS 1044Cb 0.99 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3b71 h LYS 1044CO 0.08 0.92 -0.51 1.98 -0.57 0.00 0.00 179.45 181.34 3b71 h MET 1045N 1.18 0.52 0.00 3.15 4.05 -0.61 -2.68 114.93 120.54 3b71 h MET 1045Ca 0.29 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 3b71 h MET 1045Cb 0.11 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3b71 h MET 1045CO -0.04 0.91 -0.21 -0.07 0.23 0.00 0.00 176.91 177.73 3b71 h LEU 1046N 0.40 0.00 0.00 3.39 3.38 -1.20 -3.51 115.31 117.77 3b71 h LEU 1046Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3b71 h LEU 1046Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3b71 h LEU 1046CO 0.10 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.40