#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b71 s LEU 917 N 0.00 4.37 0.02 1.20 1.43 -1.26 -4.97 118.68 119.48 3b71 s LEU 917 Ca 0.00 2.75 -0.30 0.00 -1.03 0.00 0.00 54.13 55.54 3b71 s LEU 917 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 3b71 s LEU 917 CO 0.00 -0.76 1.54 -0.62 0.23 0.00 0.00 176.35 176.74 3b71 s ASP 918 N 0.36 6.72 -0.00 2.29 3.68 -1.26 -4.90 116.67 123.56 3b71 s ASP 918 Ca 0.60 2.29 0.19 0.00 2.13 0.00 0.00 52.55 57.76 3b71 s ASP 918 Cb -0.43 -2.56 0.55 0.00 -1.45 0.00 0.00 42.92 39.03 3b71 s ASP 918 CO 0.45 -0.82 1.46 0.54 0.13 0.00 0.00 175.17 176.94 3b71 n ARG 919 N 5.66 2.81 -0.25 4.34 5.12 -1.26 -4.70 116.66 128.37 3b71 n ARG 919 Ca 0.15 -2.50 0.03 0.00 -1.93 0.00 0.00 57.85 53.60 3b71 n ARG 919 Cb 0.42 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.35 3b71 n ARG 919 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3b71 h SER 920 N 3.64 -0.50 -1.63 0.55 0.02 -2.04 -2.58 113.55 111.00 3b71 h SER 920 Ca 0.00 0.21 -0.51 0.00 -0.84 0.00 0.00 61.79 60.65 3b71 h SER 920 Cb 0.94 0.40 -0.41 0.00 0.14 0.00 0.00 62.40 63.46 3b71 h SER 920 CO 0.01 -0.21 -0.92 0.59 -1.14 0.00 0.00 176.83 175.16 3b71 n ASN 921 N -5.41 3.09 -4.39 3.07 3.02 -1.26 -5.01 115.26 108.37 3b71 n ASN 921 Ca 0.12 -3.31 -0.44 0.00 -0.03 0.00 0.00 54.58 50.91 3b71 n ASN 921 Cb 0.43 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 3b71 n ASN 921 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b71 s ASP 922 N -3.22 6.18 0.32 6.41 -1.08 -0.97 -4.91 116.67 119.40 3b71 s ASP 922 Ca 0.41 -1.33 0.06 0.00 -0.52 0.00 0.00 52.55 51.17 3b71 s ASP 922 Cb 0.38 -2.32 0.55 0.00 -1.46 0.00 0.00 42.92 40.07 3b71 s ASP 922 CO -0.10 -1.16 1.78 0.11 0.52 0.00 0.00 175.17 176.33 3b71 h LYS 923 N 9.24 0.34 0.33 4.34 1.57 -1.95 -2.24 116.57 128.20 3b71 h LYS 923 Ca -0.29 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 3b71 h LYS 923 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3b71 h LYS 923 CO 1.11 0.57 -0.16 0.28 -0.57 0.00 0.00 179.45 180.67 3b71 h VAL 924 N 0.31 0.68 -0.99 0.50 2.07 -1.95 0.13 116.25 116.99 3b71 h VAL 924 Ca 0.05 -0.41 0.13 0.00 0.82 0.00 0.00 66.70 67.28 3b71 h VAL 924 Cb 0.60 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 3b71 h VAL 924 CO 0.04 0.08 0.62 0.22 0.02 0.00 0.00 177.57 178.56 3b71 h TYR 925 N -0.68 1.09 -0.40 1.57 5.03 -1.94 0.24 116.97 121.89 3b71 h TYR 925 Ca -0.05 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 3b71 h TYR 925 Cb 0.48 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3b71 h TYR 925 CO 0.00 0.42 -0.08 0.93 -1.32 0.00 0.00 178.16 178.11 3b71 h GLU 926 N 0.94 0.77 -0.25 1.82 5.08 -0.95 -0.41 114.58 121.58 3b71 h GLU 926 Ca 0.50 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 3b71 h GLU 926 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3b71 h GLU 926 CO -0.26 0.89 -0.40 -0.91 -1.00 0.00 0.00 179.01 177.33 3b71 h ASN 927 N 0.58 0.62 -0.34 1.42 -0.26 0.67 0.73 115.58 119.01 3b71 h ASN 927 Ca 0.10 -0.28 -0.10 0.00 -0.56 0.00 0.00 56.30 55.46 3b71 h ASN 927 Cb 0.60 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3b71 h ASN 927 CO 0.04 0.95 -0.19 0.58 -1.06 0.00 0.00 177.43 177.75 3b71 h VAL 928 N 0.49 1.29 0.12 2.81 2.07 -0.58 -1.20 116.25 121.24 3b71 h VAL 928 Ca 0.04 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3b71 h VAL 928 Cb 0.91 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3b71 h VAL 928 CO 0.08 0.43 -0.25 0.74 0.02 0.00 0.00 177.57 178.59 3b71 h THR 929 N 0.51 0.45 0.00 2.57 2.02 -0.69 -0.18 112.91 117.58 3b71 h THR 929 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3b71 h THR 929 Cb 0.74 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3b71 h THR 929 CO 0.05 0.00 -0.11 1.23 0.37 0.00 0.00 175.52 177.07 3b71 h GLY 930 N -0.45 0.00 1.59 2.16 0.00 -0.79 0.30 103.07 105.88 3b71 h GLY 930 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.08 3b71 h GLY 930 CO -0.14 0.00 -1.27 -2.00 0.00 0.00 0.00 176.54 173.12 3b71 h LEU 931 N 0.00 0.41 0.04 3.11 5.85 -0.92 -2.43 115.31 121.38 3b71 h LEU 931 Ca -0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3b71 h LEU 931 Cb 0.33 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3b71 h LEU 931 CO 0.01 1.36 -0.02 0.58 -0.34 0.00 0.00 178.44 180.03 3b71 h VAL 932 N 0.07 1.24 -1.01 1.05 2.07 0.59 -2.15 116.25 118.12 3b71 h VAL 932 Ca -0.15 -0.97 0.22 0.00 0.82 0.00 0.00 66.70 66.63 3b71 h VAL 932 Cb 1.98 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 33.51 3b71 h VAL 932 CO 0.20 0.24 0.61 0.11 0.02 0.00 0.00 177.57 178.75 3b71 h LYS 933 N -0.49 0.64 -0.45 1.57 1.57 -0.58 -0.71 116.57 118.13 3b71 h LYS 933 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3b71 h LYS 933 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3b71 h LYS 933 CO 0.01 0.43 0.16 0.00 -0.57 0.00 0.00 179.45 179.47 3b71 h ALA 934 N 1.69 0.58 -0.62 3.86 0.00 -1.13 0.15 119.26 123.79 3b71 h ALA 934 Ca 0.61 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.37 3b71 h ALA 934 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3b71 h ALA 934 CO -0.42 0.21 0.41 0.28 0.00 0.00 0.00 179.25 179.72 3b71 h VAL 935 N 0.58 1.14 0.26 0.00 2.07 -0.66 -1.79 116.25 117.84 3b71 h VAL 935 Ca 0.15 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3b71 h VAL 935 Cb 0.23 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3b71 h VAL 935 CO -0.01 0.15 -0.12 0.40 0.02 0.00 0.00 177.57 178.01 3b71 h ILE 936 N 0.82 0.78 -0.74 4.57 2.04 -0.38 -0.78 117.51 123.83 3b71 h ILE 936 Ca 0.23 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 66.05 3b71 h ILE 936 Cb -0.07 0.89 -0.14 0.00 -0.74 0.00 0.00 36.82 36.76 3b71 h ILE 936 CO -0.06 0.04 -0.25 -0.08 0.00 0.00 0.00 178.15 177.80 3b71 h GLU 937 N -0.44 -0.05 0.05 2.37 4.57 -0.67 -0.73 114.58 119.69 3b71 h GLU 937 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3b71 h GLU 937 Cb 0.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3b71 h GLU 937 CO 0.06 -0.03 -0.03 1.98 -1.18 0.00 0.00 179.01 179.81 3b71 h MET 938 N -0.05 -0.07 -0.47 1.92 4.05 -0.96 -2.64 114.93 116.72 3b71 h MET 938 Ca 0.33 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.83 3b71 h MET 938 Cb 0.56 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.31 3b71 h MET 938 CO -0.78 0.05 0.07 0.77 0.23 0.00 0.00 176.91 177.26 3b71 h SER 939 N -0.18 -0.05 0.42 1.39 0.02 -0.45 -1.11 113.55 113.59 3b71 h SER 939 Ca -0.01 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3b71 h SER 939 Cb 0.16 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3b71 h SER 939 CO 0.01 0.01 -0.21 0.77 -1.14 0.00 0.00 176.83 176.27 3b71 h SER 940 N 0.20 0.00 0.49 3.07 4.64 -0.95 -2.94 113.55 118.07 3b71 h SER 940 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3b71 h SER 940 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3b71 h SER 940 CO -0.32 0.21 -0.94 0.29 -0.87 0.00 0.00 176.83 175.19 3b71 n LYS 941 N -3.80 0.27 -0.10 4.77 5.02 -0.64 -4.61 118.16 119.08 3b71 n LYS 941 Ca -0.02 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3b71 n LYS 941 Cb 0.31 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 3b71 n LYS 941 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3b71 h ILE 942 N 0.00 1.30 0.79 -0.18 2.10 -1.05 -3.36 117.51 117.11 3b71 h ILE 942 Ca 0.00 -1.38 -0.04 0.00 1.08 0.00 0.00 64.86 64.52 3b71 h ILE 942 Cb 0.72 1.55 0.01 0.00 -1.09 0.00 0.00 36.82 38.00 3b71 h ILE 942 CO 0.00 0.44 -0.39 1.56 -1.08 0.00 0.00 178.15 178.68 3b71 h GLN 943 N 0.41 -1.04 0.00 2.19 1.08 -1.81 -2.03 115.11 113.91 3b71 h GLN 943 Ca 0.05 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3b71 h GLN 943 Cb 0.79 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 3b71 h GLN 943 CO 0.06 -0.69 0.00 -2.30 -0.95 0.00 0.00 178.83 174.95 3b71 n PRO 944 N -5.56 0.00 -4.89 1.46 -0.02 -1.26 -4.84 135.00 119.90 3b71 n PRO 944 Ca -0.15 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.01 3b71 n PRO 944 Cb 0.44 -1.44 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 3b71 n PRO 944 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b71 s ALA 945 N -1.76 2.52 0.76 3.55 0.00 -0.76 -5.12 121.76 120.96 3b71 s ALA 945 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 3b71 s ALA 945 Cb 0.00 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 22.08 3b71 s ALA 945 CO 0.00 0.30 1.12 -1.25 0.00 0.00 0.00 175.76 175.93 3b71 s PRO 946 N 0.20 2.37 0.46 0.00 0.04 -1.26 -4.79 135.00 132.03 3b71 s PRO 946 Ca -0.09 0.39 0.17 0.00 0.04 0.00 0.00 61.00 61.50 3b71 s PRO 946 Cb -0.16 -1.97 1.15 0.00 0.04 0.00 0.00 34.50 33.56 3b71 s PRO 946 CO 0.06 -1.36 1.99 -1.35 0.04 0.00 0.00 177.00 176.37 3b71 h PRO 947 N -0.89 0.27 0.00 0.56 0.11 -1.96 -0.78 132.00 129.30 3b71 h PRO 947 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3b71 h PRO 947 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3b71 h PRO 947 CO 0.63 0.18 0.00 0.93 -0.21 0.00 0.00 178.00 179.53 3b71 h GLU 948 N 0.27 0.00 0.00 1.05 3.07 -2.01 -2.20 114.58 114.77 3b71 h GLU 948 Ca 0.26 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.70 3b71 h GLU 948 Cb 0.67 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.51 3b71 h GLU 948 CO -0.06 0.00 -2.48 0.39 -1.40 0.00 0.00 179.01 175.47 3b71 n GLU 949 N -2.84 0.60 0.00 2.33 1.02 -0.42 -4.63 120.64 116.70 3b71 n GLU 949 Ca -0.01 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.48 3b71 n GLU 949 Cb 0.18 -1.48 0.61 0.00 -0.02 0.00 0.00 31.44 30.73 3b71 n GLU 949 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3b71 n TYR 950 N -3.74 0.00 -0.07 -0.32 0.18 -0.48 -3.39 117.16 109.35 3b71 n TYR 950 Ca -0.49 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.15 3b71 n TYR 950 Cb 0.93 -0.29 -0.13 0.00 -0.38 0.00 0.00 39.34 39.47 3b71 n TYR 950 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3b71 h VAL 951 N 0.24 1.78 -0.72 -3.48 2.07 -1.67 -3.18 116.25 111.30 3b71 h VAL 951 Ca 0.00 -2.31 0.16 0.00 0.82 0.00 0.00 66.70 65.37 3b71 h VAL 951 Cb 0.39 3.36 -0.12 0.00 -1.52 0.00 0.00 31.29 33.40 3b71 h VAL 951 CO 0.00 0.60 0.05 -0.65 0.02 0.00 0.00 177.57 177.59 3b71 h PRO 952 N -0.98 0.14 -0.55 1.57 0.11 -1.79 -0.44 132.00 130.06 3b71 h PRO 952 Ca -0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3b71 h PRO 952 Cb 0.99 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3b71 h PRO 952 CO 0.00 0.09 0.16 0.00 -0.21 0.00 0.00 178.00 178.04 3b71 h MET 953 N 0.15 0.83 -0.77 1.05 -0.00 -1.67 -0.29 114.93 114.22 3b71 h MET 953 Ca 0.39 -0.16 -0.04 0.00 -0.00 0.00 0.00 59.70 59.90 3b71 h MET 953 Cb 0.68 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 32.11 3b71 h MET 953 CO -0.59 0.73 0.33 0.28 -0.00 0.00 0.00 176.91 177.66 3b71 h VAL 954 N 0.80 1.25 -0.92 -0.10 2.07 -1.16 -0.64 116.25 117.56 3b71 h VAL 954 Ca 0.18 -0.77 0.21 0.00 0.82 0.00 0.00 66.70 67.14 3b71 h VAL 954 Cb 0.26 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 3b71 h VAL 954 CO -0.01 0.32 0.47 0.11 0.02 0.00 0.00 177.57 178.48 3b71 h LYS 955 N 1.11 0.51 -0.28 1.57 1.57 0.02 0.35 116.57 121.42 3b71 h LYS 955 Ca 0.26 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3b71 h LYS 955 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3b71 h LYS 955 CO -0.03 0.34 -0.28 1.49 -0.57 0.00 0.00 179.45 180.40 3b71 h GLU 956 N 0.52 0.56 0.24 3.15 4.57 -0.09 0.19 114.58 123.73 3b71 h GLU 956 Ca 0.56 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 3b71 h GLU 956 Cb 1.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3b71 h GLU 956 CO -0.47 0.78 -0.12 0.28 -1.18 0.00 0.00 179.01 178.31 3b71 h VAL 957 N 0.49 0.81 -0.46 0.32 2.07 0.30 -2.77 116.25 117.00 3b71 h VAL 957 Ca 0.06 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3b71 h VAL 957 Cb 0.73 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 3b71 h VAL 957 CO 0.06 0.14 0.03 1.23 0.02 0.00 0.00 177.57 179.05 3b71 h GLY 958 N -0.70 0.50 0.58 2.17 0.00 -0.11 0.27 103.07 105.78 3b71 h GLY 958 Ca -0.03 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.39 3b71 h GLY 958 CO 0.05 -0.10 0.27 -2.00 0.00 0.00 0.00 176.54 174.77 3b71 h LEU 959 N 0.15 0.36 -0.65 3.11 5.85 -0.72 0.82 115.31 124.22 3b71 h LEU 959 Ca 0.23 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3b71 h LEU 959 Cb 0.33 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3b71 h LEU 959 CO -0.35 0.23 0.40 0.00 -0.34 0.00 0.00 178.44 178.37 3b71 h ALA 960 N 1.35 0.86 -0.44 1.25 0.00 -0.73 -1.13 119.26 120.42 3b71 h ALA 960 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3b71 h ALA 960 Cb 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3b71 h ALA 960 CO -0.22 0.14 0.20 1.25 0.00 0.00 0.00 179.25 180.62 3b71 h LEU 961 N 0.77 0.28 -0.35 0.00 5.85 0.69 -0.70 115.31 121.85 3b71 h LEU 961 Ca 0.27 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3b71 h LEU 961 Cb 0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3b71 h LEU 961 CO -0.12 0.20 -0.09 0.03 -0.34 0.00 0.00 178.44 178.12 3b71 h ARG 962 N 0.41 0.67 -0.84 1.25 3.08 -0.44 0.98 114.38 119.48 3b71 h ARG 962 Ca 0.19 -0.26 0.15 0.00 0.07 0.00 0.00 59.98 60.14 3b71 h ARG 962 Cb 0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3b71 h ARG 962 CO -0.15 0.84 0.55 1.15 -1.07 0.00 0.00 179.97 181.28 3b71 h THR 963 N 0.46 0.80 -0.17 2.04 2.02 -0.86 -0.28 112.91 116.92 3b71 h THR 963 Ca 0.09 -0.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 3b71 h THR 963 Cb 0.59 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3b71 h THR 963 CO 0.03 0.10 -0.64 0.25 0.37 0.00 0.00 175.52 175.63 3b71 h LEU 964 N 0.56 0.87 -0.21 2.58 5.85 0.50 -2.54 115.31 122.92 3b71 h LEU 964 Ca 0.42 -0.61 -0.22 0.00 0.84 0.00 0.00 57.88 58.32 3b71 h LEU 964 Cb 0.81 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.60 3b71 h LEU 964 CO -0.17 1.33 -0.76 -0.07 -0.34 0.00 0.00 178.44 178.42 3b71 h LEU 965 N 0.46 0.87 -0.57 2.25 3.38 0.44 -2.19 115.31 119.95 3b71 h LEU 965 Ca -0.03 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.46 3b71 h LEU 965 Cb 1.27 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3b71 h LEU 965 CO 0.14 1.36 0.19 0.00 0.09 0.00 0.00 178.44 180.21 3b71 h ALA 966 N 0.63 0.70 -0.14 1.53 0.00 -1.12 0.23 119.26 121.09 3b71 h ALA 966 Ca -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3b71 h ALA 966 Cb 1.38 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3b71 h ALA 966 CO 0.15 -0.23 0.09 1.15 0.00 0.00 0.00 179.25 180.41 3b71 h THR 967 N 0.35 1.06 -0.94 0.00 2.02 -1.26 -1.50 112.91 112.63 3b71 h THR 967 Ca 0.28 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.38 3b71 h THR 967 Cb 0.35 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 3b71 h THR 967 CO -0.31 0.06 0.60 0.58 0.37 0.00 0.00 175.52 176.82 3b71 h VAL 968 N 0.17 1.05 -0.98 3.16 2.07 -0.68 -0.06 116.25 120.98 3b71 h VAL 968 Ca 0.05 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.31 3b71 h VAL 968 Cb 0.02 -0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 29.59 3b71 h VAL 968 CO -0.01 0.20 0.61 0.44 0.02 0.00 0.00 177.57 178.83 3b71 h ASP 969 N 1.08 0.91 0.68 0.57 3.32 0.46 0.45 116.42 123.89 3b71 h ASP 969 Ca 0.41 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3b71 h ASP 969 Cb 0.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3b71 h ASP 969 CO -0.18 0.51 0.00 -0.62 -1.72 0.00 0.00 179.24 177.22 3b71 n GLU 970 N -4.62 0.14 -0.13 3.56 1.02 -0.07 -3.60 120.64 116.94 3b71 n GLU 970 Ca 0.18 0.37 -0.22 0.00 -0.02 0.00 0.00 57.16 57.47 3b71 n GLU 970 Cb 0.32 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 3b71 n GLU 970 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3b71 n THR 971 N -2.04 1.46 -0.07 2.62 -1.04 0.01 -4.43 114.28 110.79 3b71 n THR 971 Ca 0.03 -0.48 -0.02 0.00 -2.04 0.00 0.00 64.05 61.54 3b71 n THR 971 Cb 0.22 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.12 3b71 n THR 971 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3b71 n ILE 972 N -3.63 -0.12 0.10 12.58 5.41 -0.39 0.29 119.36 133.60 3b71 n ILE 972 Ca -0.48 0.66 0.06 0.00 1.00 0.00 0.00 62.75 64.00 3b71 n ILE 972 Cb 0.93 -0.85 0.34 0.00 -0.71 0.00 0.00 39.64 39.36 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 -3.39 0.08 0.11 0.38 -0.02 -1.26 -0.29 135.00 130.61 3b71 n PRO 973 Ca 0.00 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3b71 n PRO 973 Cb 0.04 -1.76 0.13 0.00 -0.02 0.00 0.00 33.50 31.89 3b71 n PRO 973 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3b71 h LEU 974 N 0.00 0.00 -9.79 2.45 3.38 -0.42 -3.47 115.31 107.47 3b71 h LEU 974 Ca 0.00 -0.07 -0.64 0.00 0.09 0.00 0.00 57.88 57.26 3b71 h LEU 974 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3b71 h LEU 974 CO 0.00 0.04 -0.47 -0.76 0.09 0.00 0.00 178.44 177.34 3b71 s LEU 975 N -5.08 4.37 0.95 1.67 1.43 0.60 -5.04 118.68 117.58 3b71 s LEU 975 Ca 0.04 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.39 3b71 s LEU 975 Cb 0.10 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 3b71 s LEU 975 CO 0.72 0.27 -0.22 -0.81 0.23 0.00 0.00 176.35 176.54 3b71 n PRO 976 N 1.07 -0.10 -0.15 1.29 -0.04 -1.26 -4.87 135.00 130.95 3b71 n PRO 976 Ca -0.12 -0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 3b71 n PRO 976 Cb 0.53 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 3b71 n PRO 976 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b71 h ALA 977 N -1.15 0.75 0.00 0.55 0.00 -1.97 -3.19 119.26 114.25 3b71 h ALA 977 Ca -0.44 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3b71 h ALA 977 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3b71 h ALA 977 CO 0.29 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 179.08 3b71 n SER 978 N -4.12 0.00 -0.22 0.00 3.41 -1.26 -2.04 113.62 109.39 3b71 n SER 978 Ca 0.00 0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.77 3b71 n SER 978 Cb 0.44 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3b71 n SER 978 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3b71 n THR 979 N -1.28 0.00 -0.08 6.66 -2.24 -1.21 -4.68 114.28 111.45 3b71 n THR 979 Ca 0.05 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3b71 n THR 979 Cb 0.08 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.06 0.43 0.11 4.78 3.86 -1.57 -3.03 115.15 120.80 3b71 h HIS 980 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3b71 h HIS 980 Cb 0.28 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3b71 h HIS 980 CO 0.00 0.51 -0.23 0.00 0.86 0.00 0.00 177.93 179.06 3b71 h ARG 981 N 0.23 -0.36 -0.98 2.45 3.08 -1.83 -1.09 114.38 115.88 3b71 h ARG 981 Ca 0.08 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.44 3b71 h ARG 981 Cb 0.29 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 30.25 3b71 h ARG 981 CO 0.00 -0.24 0.11 1.49 -1.07 0.00 0.00 179.97 180.26 3b71 h GLU 982 N -0.37 0.02 0.44 0.04 4.81 -1.89 0.06 114.58 117.69 3b71 h GLU 982 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3b71 h GLU 982 Cb 0.35 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3b71 h GLU 982 CO -0.10 0.01 -0.21 0.82 -0.73 0.00 0.00 179.01 178.81 3b71 h ILE 983 N 0.02 0.53 -0.87 2.32 2.04 -1.31 -1.69 117.51 118.55 3b71 h ILE 983 Ca 0.63 -0.34 0.15 0.00 1.00 0.00 0.00 64.86 66.30 3b71 h ILE 983 Cb 1.36 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 38.03 3b71 h ILE 983 CO -0.88 0.06 0.46 -0.33 0.00 0.00 0.00 178.15 177.46 3b71 h GLU 984 N -0.80 0.63 -0.49 2.37 5.08 0.21 0.25 114.58 121.83 3b71 h GLU 984 Ca -0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3b71 h GLU 984 Cb 0.55 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3b71 h GLU 984 CO 0.10 0.41 0.29 0.52 -1.00 0.00 0.00 179.01 179.34 3b71 h MET 985 N 0.65 0.67 -0.54 2.33 2.86 -0.93 0.19 114.93 120.15 3b71 h MET 985 Ca 0.48 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 58.14 3b71 h MET 985 Cb 0.69 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3b71 h MET 985 CO -0.37 0.49 0.36 0.00 1.06 0.00 0.00 176.91 178.46 3b71 h ALA 986 N 1.14 2.00 0.03 6.32 0.00 0.35 -0.50 119.26 128.60 3b71 h ALA 986 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b71 h ALA 986 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3b71 h ALA 986 CO -0.03 -0.11 -0.02 1.96 0.00 0.00 0.00 179.25 181.05 3b71 h GLN 987 N 0.39 -0.04 -0.70 0.00 4.20 -0.07 -2.67 115.11 116.22 3b71 h GLN 987 Ca 0.24 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.02 3b71 h GLN 987 Cb 0.46 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.15 3b71 h GLN 987 CO -0.06 0.33 -0.53 0.87 -0.67 0.00 0.00 178.83 178.77 3b71 h LYS 988 N -0.43 -0.14 -0.59 1.46 6.56 0.60 -1.64 116.57 122.39 3b71 h LYS 988 Ca -0.00 0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.71 3b71 h LYS 988 Cb 0.40 0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 31.97 3b71 h LYS 988 CO 0.01 -0.09 -0.19 1.25 -2.06 0.00 0.00 179.45 178.36 3b71 h LEU 989 N -0.14 -0.70 -0.47 2.94 5.85 -1.19 -1.18 115.31 120.42 3b71 h LEU 989 Ca 0.11 0.19 0.06 0.00 0.84 0.00 0.00 57.88 59.09 3b71 h LEU 989 Cb 0.44 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3b71 h LEU 989 CO -0.73 -0.23 0.17 -0.07 -0.34 0.00 0.00 178.44 177.24 3b71 h LEU 990 N -0.05 0.19 -0.13 2.25 3.38 -0.94 0.17 115.31 120.18 3b71 h LEU 990 Ca 0.28 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3b71 h LEU 990 Cb 0.48 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3b71 h LEU 990 CO -0.63 0.14 -0.06 0.78 0.09 0.00 0.00 178.44 178.75 3b71 h ASN 991 N 0.35 -0.20 -0.65 -0.43 2.35 -0.81 -0.20 115.58 115.98 3b71 h ASN 991 Ca 0.22 0.05 0.14 0.00 -0.55 0.00 0.00 56.30 56.16 3b71 h ASN 991 Cb 0.22 0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.59 3b71 h ASN 991 CO -0.22 -0.08 -0.06 -1.28 -1.65 0.00 0.00 177.43 174.14 3b71 h SER 992 N -0.05 -0.42 -0.58 5.81 0.87 -0.10 0.16 113.55 119.25 3b71 h SER 992 Ca 0.07 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3b71 h SER 992 Cb 0.16 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3b71 h SER 992 CO -0.16 -0.17 0.38 0.44 -0.53 0.00 0.00 176.83 176.79 3b71 h ASP 993 N 0.07 0.64 -0.63 6.23 3.32 0.24 0.11 116.42 126.41 3b71 h ASP 993 Ca 0.34 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3b71 h ASP 993 Cb 0.55 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3b71 h ASP 993 CO -0.61 0.46 0.24 0.25 -1.72 0.00 0.00 179.24 177.86 3b71 h LEU 994 N 0.76 0.88 0.30 1.55 5.85 0.91 0.14 115.31 125.71 3b71 h LEU 994 Ca 0.22 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3b71 h LEU 994 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3b71 h LEU 994 CO -0.06 0.82 -0.40 1.23 -0.34 0.00 0.00 178.44 179.69 3b71 h GLY 995 N 0.88 -0.90 0.96 3.75 0.00 -0.02 0.10 103.07 107.84 3b71 h GLY 995 Ca 0.21 0.47 0.11 0.00 0.00 0.00 0.00 47.33 48.12 3b71 h GLY 995 CO -0.01 -0.30 0.43 -2.09 0.00 0.00 0.00 176.54 174.56 3b71 h GLU 996 N -0.75 0.39 -0.30 4.80 4.57 -0.11 0.18 114.58 123.36 3b71 h GLU 996 Ca -0.01 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 3b71 h GLU 996 Cb 0.71 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3b71 h GLU 996 CO -0.13 0.26 -0.37 1.25 -1.18 0.00 0.00 179.01 178.84 3b71 h LEU 997 N 0.41 0.85 -0.57 1.64 5.85 0.44 -2.99 115.31 120.94 3b71 h LEU 997 Ca 0.30 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3b71 h LEU 997 Cb 0.61 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3b71 h LEU 997 CO -0.08 1.17 0.35 0.40 -0.34 0.00 0.00 178.44 179.94 3b71 h ILE 998 N 0.55 1.08 -0.65 4.05 2.04 0.12 0.71 117.51 125.40 3b71 h ILE 998 Ca 0.04 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.78 3b71 h ILE 998 Cb 0.96 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 3b71 h ILE 998 CO 0.09 0.13 0.20 0.78 0.00 0.00 0.00 178.15 179.35 3b71 h ASN 999 N 0.70 0.12 -0.31 1.72 4.21 -1.06 0.70 115.58 121.67 3b71 h ASN 999 Ca 0.22 0.11 -0.17 0.00 1.21 0.00 0.00 56.30 57.68 3b71 h ASN 999 Cb -0.00 0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 3b71 h ASN 999 CO -0.09 0.06 -0.44 0.11 -1.29 0.00 0.00 177.43 175.78 3b71 h LYS 1000N 0.34 0.88 -0.98 0.81 1.79 -1.31 -1.23 116.57 116.87 3b71 h LYS 1000Ca 0.35 -0.49 0.17 0.00 -2.18 0.00 0.00 60.65 58.49 3b71 h LYS 1000Cb 0.51 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.10 3b71 h LYS 1000CO -0.39 1.13 0.61 1.98 -1.08 0.00 0.00 179.45 181.71 3b71 h MET 1001N 0.70 0.75 0.10 3.15 4.05 0.80 0.13 114.93 124.62 3b71 h MET 1001Ca 0.04 -0.05 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 3b71 h MET 1001Cb 1.03 -0.17 0.03 0.00 -0.80 0.00 0.00 31.60 31.69 3b71 h MET 1001CO 0.10 0.50 -1.15 0.87 0.23 0.00 0.00 176.91 177.46 3b71 h LYS 1002N 0.78 0.60 -0.24 0.39 1.57 -0.35 -2.80 116.57 116.51 3b71 h LYS 1002Ca 0.52 -0.78 0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3b71 h LYS 1002Cb 0.80 0.25 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 3b71 h LYS 1002CO -0.30 1.35 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.77 3b71 h LEU 1003N 0.22 -0.31 -2.65 2.94 3.38 -0.38 -1.11 115.31 117.40 3b71 h LEU 1003Ca -0.17 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3b71 h LEU 1003Cb 1.83 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3b71 h LEU 1003CO 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3b71 h ALA 1004N 1.17 1.00 0.08 1.53 0.00 -0.73 -1.29 119.26 121.03 3b71 h ALA 1004Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 3b71 h ALA 1004Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3b71 h ALA 1004CO -0.28 0.00 -1.55 1.96 0.00 0.00 0.00 179.25 179.39 3b71 h GLN 1005N 0.00 0.17 -0.87 0.00 4.20 -0.96 -3.24 115.11 114.40 3b71 h GLN 1005Ca 0.00 -0.29 0.05 0.00 0.06 0.00 0.00 58.65 58.47 3b71 h GLN 1005Cb 0.07 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3b71 h GLN 1005CO 0.00 0.98 0.55 0.37 -0.67 0.00 0.00 178.83 180.07 3b71 h GLN 1006N 0.05 1.00 -0.85 1.46 4.15 -0.38 -3.21 115.11 117.32 3b71 h GLN 1006Ca -0.24 -0.06 -0.58 0.00 0.77 0.00 0.00 58.65 58.54 3b71 h GLN 1006Cb 1.99 -0.22 -0.33 0.00 0.21 0.00 0.00 27.48 29.13 3b71 h GLN 1006CO 0.14 0.66 0.16 0.66 -1.93 0.00 0.00 178.83 178.51 3b71 n TYR 1007N -4.58 2.86 -2.01 3.99 4.02 -1.02 -5.01 117.16 115.40 3b71 n TYR 1007Ca 0.12 -2.55 -0.41 0.00 -0.01 0.00 0.00 57.90 55.05 3b71 n TYR 1007Cb 0.15 -0.94 -0.02 0.00 -0.02 0.00 0.00 39.34 38.52 3b71 n TYR 1007CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3b71 s VAL 1008N -4.53 2.53 -1.36 -0.72 1.01 -1.22 -2.90 120.40 113.21 3b71 s VAL 1008Ca 0.58 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 3b71 s VAL 1008Cb 0.46 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3b71 s VAL 1008CO 0.01 0.11 0.51 0.23 0.00 0.00 0.00 175.10 175.96 3b71 n MET 1009N 1.08 -3.47 -4.07 2.72 2.81 -1.26 -4.98 117.12 109.95 3b71 n MET 1009Ca 0.02 0.45 -0.07 0.00 -1.81 0.00 0.00 57.70 56.29 3b71 n MET 1009Cb 0.41 -4.63 -0.10 0.00 -0.71 0.00 0.00 33.22 28.19 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 -3.86 0.21 0.27 2.03 -4.23 -1.24 -5.03 115.64 103.80 3b71 s THR 1010Ca 0.04 -1.75 0.18 0.00 -1.18 0.00 0.00 61.69 58.98 3b71 s THR 1010Cb -0.01 -1.52 0.29 0.00 1.34 0.00 0.00 72.50 72.59 3b71 s THR 1010CO 0.87 -0.95 1.06 -1.54 -0.54 0.00 0.00 174.62 173.52 3b71 n SER 1011N 0.09 0.19 0.04 3.99 3.41 -1.26 -2.12 113.62 117.95 3b71 n SER 1011Ca -0.14 1.02 0.11 0.00 -0.26 0.00 0.00 58.87 59.61 3b71 n SER 1011Cb 0.61 -0.50 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3b71 n SER 1011CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b71 n LEU 1012N -4.27 0.63 0.00 1.04 4.77 -1.26 -4.53 117.00 113.38 3b71 n LEU 1012Ca 0.26 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3b71 n LEU 1012Cb 0.97 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3b71 n LEU 1012CO 0.07 0.01 0.12 0.00 -1.33 0.00 0.00 177.39 176.26 3b71 n GLN 1013N -2.03 0.00 -0.28 3.23 1.13 -0.90 -1.01 117.38 117.51 3b71 n GLN 1013Ca 0.02 0.23 0.07 0.00 -1.94 0.00 0.00 57.00 55.39 3b71 n GLN 1013Cb 0.45 -0.41 0.22 0.00 0.11 0.00 0.00 30.24 30.61 3b71 n GLN 1013CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3b71 h GLN 1014N 0.00 0.49 0.00 -1.09 7.50 -1.83 0.01 115.11 120.19 3b71 h GLN 1014Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3b71 h GLN 1014Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.42 3b71 h GLN 1014CO 0.00 0.32 0.00 0.39 -1.50 0.00 0.00 178.83 178.04 3b71 n GLU 1015N -4.96 0.18 0.01 1.46 -0.58 -0.18 -1.71 120.64 114.85 3b71 n GLU 1015Ca 0.17 0.36 -0.09 0.00 -0.42 0.00 0.00 57.16 57.18 3b71 n GLU 1015Cb 0.46 -1.81 -0.14 0.00 -0.57 0.00 0.00 31.44 29.38 3b71 n GLU 1015CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 3b71 h TYR 1016N 0.00 0.04 -0.05 -0.32 0.05 -0.57 -3.22 116.97 112.91 3b71 h TYR 1016Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3b71 h TYR 1016Cb 0.41 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 3b71 h TYR 1016CO 0.00 1.05 -0.04 0.87 -1.05 0.00 0.00 178.16 178.99 3b71 h LYS 1017N 0.01 0.07 -0.64 4.88 1.57 -0.99 -1.57 116.57 119.90 3b71 h LYS 1017Ca -0.22 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3b71 h LYS 1017Cb 1.95 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 34.21 3b71 h LYS 1017CO 0.10 0.12 0.39 0.87 -0.57 0.00 0.00 179.45 180.35 3b71 h LYS 1018N 0.07 0.73 0.00 3.15 1.57 -1.38 -1.52 116.57 119.18 3b71 h LYS 1018Ca 0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3b71 h LYS 1018Cb 0.12 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3b71 h LYS 1018CO 0.01 0.48 -0.14 1.96 -0.57 0.00 0.00 179.45 181.18 3b71 h GLN 1019N 0.75 0.00 -0.03 3.15 4.20 -1.39 -1.03 115.11 120.75 3b71 h GLN 1019Ca 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 3b71 h GLN 1019Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3b71 h GLN 1019CO -0.12 0.14 0.01 0.52 -0.67 0.00 0.00 178.83 178.71 3b71 h MET 1020N 0.00 0.05 -0.83 1.46 2.86 -0.99 -2.34 114.93 115.13 3b71 h MET 1020Ca -0.00 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3b71 h MET 1020Cb 1.01 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 3b71 h MET 1020CO 0.02 0.20 0.54 -0.07 1.06 0.00 0.00 176.91 178.65 3b71 h LEU 1021N -0.11 0.91 -0.76 1.22 4.07 -0.76 0.18 115.31 120.07 3b71 h LEU 1021Ca 0.01 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.99 3b71 h LEU 1021Cb 0.16 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.65 3b71 h LEU 1021CO -0.00 0.64 0.48 0.74 -1.08 0.00 0.00 178.44 179.22 3b71 h THR 1022N 1.07 1.12 -0.50 0.22 2.02 -1.22 -1.08 112.91 114.54 3b71 h THR 1022Ca 0.32 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3b71 h THR 1022Cb -0.04 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3b71 h THR 1022CO -0.10 0.17 -0.18 0.00 0.37 0.00 0.00 175.52 175.79 3b71 h ALA 1023N 1.31 0.73 -0.13 6.16 0.00 -0.47 -1.53 119.26 125.34 3b71 h ALA 1023Ca 0.30 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3b71 h ALA 1023Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3b71 h ALA 1023CO -0.10 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.53 3b71 h ALA 1024N 0.91 0.21 -0.86 0.00 0.00 -0.52 -1.47 119.26 117.53 3b71 h ALA 1024Ca 0.12 -0.41 0.16 0.00 0.00 0.00 0.00 54.91 54.78 3b71 h ALA 1024Cb 0.75 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3b71 h ALA 1024CO 0.06 0.22 0.56 1.25 0.00 0.00 0.00 179.25 181.34 3b71 h HIS 1025N 0.01 0.67 -0.00 0.00 6.17 -1.14 0.16 115.15 121.02 3b71 h HIS 1025Ca -0.00 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 3b71 h HIS 1025Cb 0.89 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 30.61 3b71 h HIS 1025CO 0.11 0.23 0.00 0.00 0.71 0.00 0.00 177.93 178.98 3b71 h ALA 1026N 1.62 0.00 -0.05 5.26 0.00 -0.87 -1.95 119.26 123.27 3b71 h ALA 1026Ca 0.43 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.35 3b71 h ALA 1026Cb 0.85 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3b71 h ALA 1026CO -0.18 -0.48 -0.15 1.25 0.00 0.00 0.00 179.25 179.70 3b71 h LEU 1027N -0.04 -0.44 -0.22 0.00 5.85 0.29 -0.54 115.31 120.20 3b71 h LEU 1027Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3b71 h LEU 1027Cb 0.04 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3b71 h LEU 1027CO -0.00 -0.20 -0.02 0.00 -0.34 0.00 0.00 178.44 177.88 3b71 h ALA 1028N 0.76 0.18 -0.54 1.25 0.00 -0.96 0.64 119.26 120.59 3b71 h ALA 1028Ca 0.07 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3b71 h ALA 1028Cb 0.31 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 3b71 h ALA 1028CO -0.18 -0.44 0.06 0.28 0.00 0.00 0.00 179.25 178.97 3b71 h VAL 1029N 0.05 0.63 -0.07 0.00 2.07 -0.61 0.20 116.25 118.51 3b71 h VAL 1029Ca 0.11 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3b71 h VAL 1029Cb 0.14 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3b71 h VAL 1029CO -0.19 0.03 -0.49 0.44 0.02 0.00 0.00 177.57 177.38 3b71 h ASP 1030N 0.19 0.20 -0.35 0.57 3.32 -0.44 0.32 116.42 120.23 3b71 h ASP 1030Ca 0.28 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3b71 h ASP 1030Cb 0.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3b71 h ASP 1030CO -0.40 0.67 -0.09 0.00 -1.72 0.00 0.00 179.24 177.69 3b71 h ALA 1031N 1.34 0.49 -1.00 3.45 0.00 -0.13 0.17 119.26 123.59 3b71 h ALA 1031Ca 0.01 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3b71 h ALA 1031Cb 0.93 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3b71 h ALA 1031CO 0.07 0.34 0.65 -0.22 0.00 0.00 0.00 179.25 180.09 3b71 h LYS 1032N 0.48 1.15 -0.11 0.00 3.11 -0.71 0.83 116.57 121.31 3b71 h LYS 1032Ca 0.09 -0.07 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 3b71 h LYS 1032Cb 0.60 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 3b71 h LYS 1032CO 0.04 0.76 -0.56 -0.97 -2.81 0.00 0.00 179.45 175.91 3b71 h ASN 1033N 1.18 0.39 0.46 4.20 -0.73 -0.27 -2.17 115.58 118.65 3b71 h ASN 1033Ca 0.42 -0.21 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 3b71 h ASN 1033Cb 0.14 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.62 3b71 h ASN 1033CO -0.16 0.87 -0.23 0.25 -0.37 0.00 0.00 177.43 177.78 3b71 h LEU 1034N 0.27 -0.55 -0.79 0.34 5.85 0.49 -2.04 115.31 118.87 3b71 h LEU 1034Ca 0.00 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.92 3b71 h LEU 1034Cb 1.06 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 42.09 3b71 h LEU 1034CO 0.09 -0.39 -0.06 0.25 -0.34 0.00 0.00 178.44 177.99 3b71 h LEU 1035N -0.63 -0.50 -0.57 2.25 5.85 -0.77 0.10 115.31 121.03 3b71 h LEU 1035Ca -0.06 0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3b71 h LEU 1035Cb 0.49 0.41 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 3b71 h LEU 1035CO 0.10 -0.23 0.08 0.44 -0.34 0.00 0.00 178.44 178.49 3b71 h ASP 1036N 0.06 -0.09 0.47 1.25 3.32 -0.82 -1.64 116.42 118.97 3b71 h ASP 1036Ca 0.42 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.57 3b71 h ASP 1036Cb 0.73 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 3b71 h ASP 1036CO -0.75 -0.03 -0.27 0.58 -1.72 0.00 0.00 179.24 177.05 3b71 h VAL 1037N 0.20 0.44 -0.64 -1.35 2.07 -0.15 -2.06 116.25 114.77 3b71 h VAL 1037Ca 0.30 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.93 3b71 h VAL 1037Cb 0.45 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 30.54 3b71 h VAL 1037CO -0.42 0.00 -0.36 0.40 0.02 0.00 0.00 177.57 177.21 3b71 h ILE 1038N -0.70 0.13 -0.13 4.57 1.08 -0.99 -0.54 117.51 120.93 3b71 h ILE 1038Ca -0.06 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 3b71 h ILE 1038Cb 0.57 0.13 -0.07 0.00 -3.07 0.00 0.00 36.82 34.38 3b71 h ILE 1038CO 0.07 0.00 -0.42 0.44 -0.69 0.00 0.00 178.15 177.55 3b71 h ASP 1039N -0.16 -1.31 -0.91 1.72 3.32 -1.04 0.36 116.42 118.40 3b71 h ASP 1039Ca 0.23 0.17 0.23 0.00 0.02 0.00 0.00 57.03 57.69 3b71 h ASP 1039Cb 0.56 0.53 -0.06 0.00 0.22 0.00 0.00 39.33 40.58 3b71 h ASP 1039CO -0.72 -0.42 0.62 1.56 -1.72 0.00 0.00 179.24 178.56 3b71 h GLN 1040N -0.49 0.23 0.17 3.56 1.08 -0.72 0.44 115.11 119.38 3b71 h GLN 1040Ca 0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3b71 h GLN 1040Cb 0.62 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3b71 h GLN 1040CO -0.40 0.15 -0.08 0.00 -0.95 0.00 0.00 178.83 177.56 3b71 h ALA 1041N 1.59 -0.23 -0.36 3.87 0.00 0.99 -1.55 119.26 123.57 3b71 h ALA 1041Ca 0.47 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3b71 h ALA 1041Cb 1.42 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 3b71 h ALA 1041CO -0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 179.25 178.72 3b71 h ARG 1042N -0.84 -0.00 -0.91 0.00 3.08 0.12 0.10 114.38 115.92 3b71 h ARG 1042Ca -0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.12 3b71 h ARG 1042Cb 0.52 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 3b71 h ARG 1042CO 0.04 -0.00 0.56 -0.07 -1.07 0.00 0.00 179.97 179.42 3b71 h LEU 1043N -0.00 0.84 0.08 3.04 3.38 -0.24 1.91 115.31 124.31 3b71 h LEU 1043Ca 0.17 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3b71 h LEU 1043Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3b71 h LEU 1043CO -0.37 0.49 -0.04 0.11 0.09 0.00 0.00 178.44 178.72 3b71 h LYS 1044N 0.95 -0.11 0.00 1.13 1.57 -0.04 -1.84 116.57 118.22 3b71 h LYS 1044Ca 0.43 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 3b71 h LYS 1044Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3b71 h LYS 1044CO -0.22 -0.02 -0.35 1.98 -0.57 0.00 0.00 179.45 180.27 3b71 h MET 1045N -0.18 0.00 0.00 3.15 4.05 0.20 -1.98 114.93 120.17 3b71 h MET 1045Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3b71 h MET 1045Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3b71 h MET 1045CO 0.02 0.35 -0.21 1.28 0.23 0.00 0.00 176.91 178.59 3b71 n LEU 1046N -3.63 0.43 0.00 3.39 4.77 0.61 -4.95 117.00 117.63 3b71 n LEU 1046Ca -0.01 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3b71 n LEU 1046Cb 0.47 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3b71 n LEU 1046CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3b71 n GLY 1047N 1.42 1.01 3.75 -0.72 0.00 -0.75 -5.04 105.19 104.87 3b71 n GLY 1047Ca 0.06 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3b71 n GLY 1047CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3b71 s GLN 1048N -2.05 3.20 0.00 1.61 2.00 -0.75 -5.06 119.66 118.61 3b71 s GLN 1048Ca 0.00 2.26 0.26 0.00 -2.00 0.00 0.00 55.36 55.88 3b71 s GLN 1048Cb 0.00 -2.30 0.64 0.00 0.80 0.00 0.00 33.01 32.14 3b71 s GLN 1048CO 0.00 -1.15 1.51 0.25 -0.50 0.00 0.00 175.29 175.40