#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nni h ILE 922 N 0.00 1.34 -3.42 1.39 5.03 -1.78 -3.44 117.51 116.62 3nni h ILE 922 Ca 0.00 -1.61 -0.37 0.00 -0.12 0.00 0.00 64.86 62.76 3nni h ILE 922 Cb 0.00 1.91 -0.36 0.00 -3.03 0.00 0.00 36.82 35.35 3nni h ILE 922 CO 0.00 0.49 -0.75 0.00 -0.68 0.00 0.00 178.15 177.21 3nni h ARG 924 N 7.64 0.66 -1.67 0.00 3.08 -1.86 0.17 114.38 122.40 3nni h ARG 924 Ca -0.33 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 3nni h ARG 924 Cb 1.13 -0.13 -0.27 0.00 0.08 0.00 0.00 29.97 30.79 3nni h ARG 924 CO 0.38 0.54 -0.40 0.34 -1.07 0.00 0.00 179.97 179.76 3nni s ASP 925 N -5.81 -0.29 0.56 7.04 2.15 -1.26 -3.11 116.67 115.96 3nni s ASP 925 Ca -0.13 0.49 0.35 0.00 0.43 0.00 0.00 52.55 53.69 3nni s ASP 925 Cb 0.11 1.46 1.47 0.00 -0.30 0.00 0.00 42.92 45.67 3nni s ASP 925 CO 0.75 -0.28 2.02 -0.37 -0.17 0.00 0.00 175.17 177.12 3nni h VAL 926 N 6.13 0.02 0.00 1.11 -1.51 -1.35 -2.78 116.25 117.86 3nni h VAL 926 Ca -0.20 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3nni h VAL 926 Cb 1.15 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 3nni h VAL 926 CO 0.26 0.01 -0.29 0.00 -1.23 0.00 0.00 177.57 176.31 3nni n ALA 927 N -2.09 2.96 -3.46 5.19 0.00 -1.26 -4.88 120.51 116.97 3nni n ALA 927 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.97 3nni n ALA 927 Cb 0.28 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.50 3nni n ALA 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3nni n ARG 928 N -1.59 -6.03 -0.99 0.00 1.74 -1.05 -2.30 116.66 106.43 3nni n ARG 928 Ca 0.06 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 3nni n ARG 928 Cb 0.35 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.09 3nni n ARG 928 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nni n GLY 929 N -1.71 0.58 0.22 -0.13 0.00 -1.26 -4.93 105.19 97.96 3nni n GLY 929 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3nni n GLY 929 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3nni h TYR 930 N 0.00 0.00 -1.78 1.61 -1.99 -1.84 -3.46 116.97 109.52 3nni h TYR 930 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 3nni h TYR 930 Cb 0.04 0.00 0.06 0.00 2.00 0.00 0.00 36.73 38.84 3nni h TYR 930 CO 0.03 0.18 0.03 -1.21 -0.00 0.00 0.00 178.16 177.18 3nni s GLU 931 N -3.48 1.95 0.21 4.88 0.41 -1.26 -4.95 118.70 116.45 3nni s GLU 931 Ca 0.02 -1.24 0.03 0.00 -0.41 0.00 0.00 54.97 53.37 3nni s GLU 931 Cb 0.09 -2.44 0.14 0.00 -1.78 0.00 0.00 34.13 30.14 3nni s GLU 931 CO 0.64 -1.19 1.49 -0.91 -0.49 0.00 0.00 175.26 174.79 3nni h ASN 932 N -0.25 0.31 -4.16 -0.19 2.35 -1.89 -3.45 115.58 108.30 3nni h ASN 932 Ca -0.35 -0.20 -0.58 0.00 -0.55 0.00 0.00 56.30 54.62 3nni h ASN 932 Cb 1.28 -0.09 -0.22 0.00 0.05 0.00 0.00 38.32 39.33 3nni h ASN 932 CO 0.41 0.91 -0.83 0.68 -1.65 0.00 0.00 177.43 176.95 3nni s VAL 933 N -3.59 1.78 0.49 2.81 -7.23 -1.26 -5.10 120.40 108.30 3nni s VAL 933 Ca -0.04 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 3nni s VAL 933 Cb 0.11 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 3nni s VAL 933 CO 0.81 -0.01 1.07 -2.16 -0.31 0.00 0.00 175.10 174.50 3nni s PRO 934 N -1.85 3.72 -0.56 4.82 0.04 -1.26 -4.98 135.00 134.93 3nni s PRO 934 Ca 0.07 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 3nni s PRO 934 Cb -0.10 -2.14 0.14 0.00 0.04 0.00 0.00 34.50 32.45 3nni s PRO 934 CO 0.04 -0.52 0.36 0.42 0.04 0.00 0.00 177.00 177.34 3nni s ILE 935 N -1.86 3.46 0.71 0.56 1.01 -1.26 -4.65 121.20 119.17 3nni s ILE 935 Ca 0.68 -2.78 -0.12 0.00 0.00 0.00 0.00 60.65 58.42 3nni s ILE 935 Cb -0.20 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.00 3nni s ILE 935 CO 0.24 -0.82 1.09 -2.84 0.00 0.00 0.00 174.94 172.61 3nni s PRO 936 N 0.21 2.59 -0.11 2.79 0.02 -1.18 -1.01 135.00 138.30 3nni s PRO 936 Ca 0.15 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.41 3nni s PRO 936 Cb -0.21 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3nni s PRO 936 CO -0.03 -1.39 -0.15 0.00 -0.33 0.00 0.00 177.00 175.09 3nni s VAL 938 N 1.04 1.49 -0.22 0.00 -7.23 -0.44 -1.76 120.40 113.28 3nni s VAL 938 Ca -0.05 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 57.94 3nni s VAL 938 Cb -0.15 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 34.95 3nni s VAL 938 CO -0.02 -0.66 0.33 0.21 -0.31 0.00 0.00 175.10 174.64 3nni s ASN 939 N -3.25 0.54 -0.13 4.85 3.84 -1.26 -2.70 114.94 116.83 3nni s ASN 939 Ca 0.20 0.18 0.15 0.00 0.21 0.00 0.00 52.86 53.59 3nni s ASN 939 Cb 0.01 0.89 0.33 0.00 -0.55 0.00 0.00 41.25 41.93 3nni s ASN 939 CO 0.04 -0.30 1.17 0.61 -2.79 0.00 0.00 177.10 175.83 3nni n GLY 940 N 5.35 3.92 0.97 1.21 0.00 -1.26 -4.79 105.19 110.59 3nni n GLY 940 Ca -0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 3nni n GLY 940 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3nni n VAL 941 N -0.86 0.26 -3.62 1.61 0.31 -1.26 -5.13 118.33 109.65 3nni n VAL 941 Ca 0.14 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3nni n VAL 941 Cb 0.74 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3nni n VAL 941 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3nni n ASP 942 N -3.14 0.35 -1.65 4.52 5.68 -1.26 -5.08 116.55 115.97 3nni n ASP 942 Ca -0.02 -0.62 0.09 0.00 -0.50 0.00 0.00 54.79 53.74 3nni n ASP 942 Cb 0.44 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.79 3nni n ASP 942 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nni n GLY 943 N 0.88 2.87 3.73 6.12 0.00 -1.26 -4.97 105.19 112.56 3nni n GLY 943 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 3nni n GLY 943 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nni s GLU 944 N -2.13 4.46 0.87 1.61 0.41 -1.26 -5.05 118.70 117.61 3nni s GLU 944 Ca 0.52 1.89 -0.13 0.00 -0.41 0.00 0.00 54.97 56.84 3nni s GLU 944 Cb 0.35 -3.26 0.12 0.00 -1.78 0.00 0.00 34.13 29.57 3nni s GLU 944 CO 0.22 -0.17 1.18 -1.25 -0.49 0.00 0.00 175.26 174.75 3nni s PRO 945 N 0.15 1.43 0.33 0.39 0.04 -1.26 -4.94 135.00 131.14 3nni s PRO 945 Ca 0.55 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 3nni s PRO 945 Cb -0.33 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 3nni s PRO 945 CO 0.35 -1.97 1.51 0.00 0.04 0.00 0.00 177.00 176.93 3nni n PRO 947 N 1.25 2.09 0.00 0.00 -0.02 -1.26 -4.93 135.00 132.14 3nni n PRO 947 Ca 0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3nni n PRO 947 Cb 0.39 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3nni n PRO 947 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3nni n GLU 948 N 0.42 0.20 -0.71 -0.52 4.71 -1.26 -4.88 120.64 118.60 3nni n GLU 948 Ca 0.05 -0.43 -0.13 0.00 -0.01 0.00 0.00 57.16 56.63 3nni n GLU 948 Cb 0.37 -0.56 0.06 0.00 -1.01 0.00 0.00 31.44 30.30 3nni n GLU 948 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3nni n ASP 949 N -0.04 4.87 -3.49 1.62 4.64 -1.26 -4.83 116.55 118.07 3nni n ASP 949 Ca 0.00 -2.88 -0.10 0.00 -1.38 0.00 0.00 54.79 50.43 3nni n ASP 949 Cb 0.39 -0.86 -0.02 0.00 -1.04 0.00 0.00 41.12 39.58 3nni n ASP 949 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 3nni s TYR 950 N -1.60 -0.42 -0.30 -0.67 -0.85 -1.26 -4.80 117.35 107.44 3nni s TYR 950 Ca 0.27 0.32 -0.10 0.00 -0.52 0.00 0.00 57.07 57.04 3nni s TYR 950 Cb 0.22 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 43.07 3nni s TYR 950 CO 0.02 -0.62 0.17 0.21 -1.52 0.00 0.00 175.55 173.82 3nni s LYS 951 N -3.04 3.58 0.07 -3.49 2.47 0.15 -4.99 119.74 114.50 3nni s LYS 951 Ca 0.03 -0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 53.56 3nni s LYS 951 Cb -0.01 -3.62 -0.06 0.00 -1.46 0.00 0.00 37.83 32.68 3nni s LYS 951 CO -0.08 -0.33 1.28 -0.47 0.16 0.00 0.00 175.35 175.91 3nni s TYR 952 N 1.68 3.33 -0.02 4.03 5.04 -1.26 -1.82 117.35 128.33 3nni s TYR 952 Ca 0.06 1.14 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 3nni s TYR 952 Cb -0.17 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.62 3nni s TYR 952 CO 0.08 -1.76 -0.06 0.96 -1.34 0.00 0.00 175.55 173.43 3nni s ILE 953 N 1.19 0.54 -0.05 3.14 -4.36 -0.55 -4.91 121.20 116.20 3nni s ILE 953 Ca 0.61 -0.24 0.12 0.00 -0.26 0.00 0.00 60.65 60.88 3nni s ILE 953 Cb -0.32 -0.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.82 3nni s ILE 953 CO 0.29 0.18 1.22 0.77 0.24 0.00 0.00 174.94 177.64 3nni h SER 954 N 6.34 0.00 -4.02 4.36 4.64 -1.92 -3.33 113.55 119.61 3nni h SER 954 Ca -0.32 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.44 3nni h SER 954 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 3nni h SER 954 CO 0.49 0.72 -0.82 -1.61 -0.87 0.00 0.00 176.83 174.75 3nni s GLU 955 N -2.84 1.18 0.42 4.77 2.02 -1.26 -4.93 118.70 118.05 3nni s GLU 955 Ca 0.01 -1.23 -0.25 0.00 0.02 0.00 0.00 54.97 53.52 3nni s GLU 955 Cb 0.09 -1.41 -0.10 0.00 0.10 0.00 0.00 34.13 32.80 3nni s GLU 955 CO 0.79 0.32 1.16 0.09 0.02 0.00 0.00 175.26 177.64 3nni n ASN 956 N 0.90 2.01 -4.46 -0.19 3.02 -1.26 -4.81 115.26 110.47 3nni n ASN 956 Ca -0.18 1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 55.23 3nni n ASN 956 Cb 0.54 -1.44 -0.11 0.00 -0.61 0.00 0.00 39.78 38.17 3nni n ASN 956 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nni s GLU 958 N -3.83 0.93 0.00 0.00 -1.05 -1.26 -0.14 118.70 113.34 3nni s GLU 958 Ca 0.35 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 3nni s GLU 958 Cb 0.08 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.81 3nni s GLU 958 CO 0.15 0.23 0.98 0.25 0.95 0.00 0.00 175.26 177.82 3nni n THR 959 N 1.63 0.96 -3.73 1.83 -2.24 -1.26 -4.99 114.28 106.48 3nni n THR 959 Ca -0.19 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.52 3nni n THR 959 Cb 0.54 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3nni n THR 959 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3nni s SER 960 N -0.96 -0.25 -0.60 3.42 1.04 -1.26 -5.11 113.70 109.98 3nni s SER 960 Ca 0.00 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 3nni s SER 960 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3nni s SER 960 CO 0.00 -1.02 1.73 -0.89 0.98 0.00 0.00 173.24 174.04 3nni s THR 961 N -3.87 3.45 -0.15 2.02 2.01 -1.26 -4.78 115.64 113.06 3nni s THR 961 Ca 0.09 0.30 0.14 0.00 0.31 0.00 0.00 61.69 62.52 3nni s THR 961 Cb -0.00 -4.10 -0.24 0.00 0.01 0.00 0.00 72.50 68.17 3nni s THR 961 CO -0.04 -1.03 0.24 0.23 -0.69 0.00 0.00 174.62 173.34 3nni n MET 962 N 9.11 0.67 -3.58 4.92 2.81 -1.26 -5.05 117.12 124.75 3nni n MET 962 Ca 0.17 0.12 -0.18 0.00 -1.81 0.00 0.00 57.70 56.00 3nni n MET 962 Cb 0.51 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3nni n MET 962 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3nni n ASN 963 N -2.93 -5.73 -4.70 7.83 4.13 -1.26 -4.90 115.26 107.71 3nni n ASN 963 Ca -0.29 -0.71 -0.42 0.00 1.68 0.00 0.00 54.58 54.83 3nni n ASN 963 Cb 1.10 -2.84 -0.03 0.00 -1.54 0.00 0.00 39.78 36.48 3nni n ASN 963 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3nni s ILE 964 N -3.03 3.44 -0.68 2.41 1.01 -1.26 -4.89 121.20 118.20 3nni s ILE 964 Ca 0.04 0.91 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 3nni s ILE 964 Cb -0.02 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.75 3nni s ILE 964 CO 0.85 0.02 2.42 -0.67 0.00 0.00 0.00 174.94 177.56 3nni n ASP 965 N 5.03 1.93 -1.74 3.58 2.03 -1.26 -4.77 116.55 121.35 3nni n ASP 965 Ca 0.13 -1.09 -0.14 0.00 0.52 0.00 0.00 54.79 54.22 3nni n ASP 965 Cb 0.42 -1.61 0.20 0.00 -0.72 0.00 0.00 41.12 39.42 3nni n ASP 965 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3nni n ARG 966 N 8.82 2.18 -2.58 -0.67 -4.01 -1.26 -4.34 116.66 114.81 3nni n ARG 966 Ca 0.44 -3.09 -0.43 0.00 -1.04 0.00 0.00 57.85 53.73 3nni n ARG 966 Cb 0.47 -2.02 -0.02 0.00 -3.04 0.00 0.00 32.46 27.84 3nni n ARG 966 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 3nni s ASN 967 N -1.83 6.87 0.42 2.89 3.84 -1.26 -4.93 114.94 120.94 3nni s ASN 967 Ca 0.51 1.13 0.09 0.00 0.21 0.00 0.00 52.86 54.80 3nni s ASN 967 Cb 0.44 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 39.49 3nni s ASN 967 CO 0.06 -0.92 2.02 -0.29 -2.79 0.00 0.00 177.10 175.18 3nni h ILE 968 N 5.77 1.12 0.00 -5.21 2.10 -1.96 -2.35 117.51 116.98 3nni h ILE 968 Ca -0.22 -0.39 -0.03 0.00 1.08 0.00 0.00 64.86 65.30 3nni h ILE 968 Cb 1.07 0.86 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 3nni h ILE 968 CO 1.03 0.14 -0.13 0.71 -1.08 0.00 0.00 178.15 178.82 3nni h THR 969 N 0.34 0.29 0.00 2.19 1.35 -2.02 -3.09 112.91 111.97 3nni h THR 969 Ca 0.09 -1.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 3nni h THR 969 Cb 0.12 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3nni h THR 969 CO -0.01 0.13 -0.10 0.45 -0.25 0.00 0.00 175.52 175.75 3nni h HIS 970 N 0.00 0.00 -2.91 4.73 3.86 -1.83 -3.46 115.15 115.54 3nni h HIS 970 Ca -0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3nni h HIS 970 Cb 0.79 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.29 3nni h HIS 970 CO 0.00 0.10 0.80 -0.51 0.86 0.00 0.00 177.93 179.18 3nni s LEU 971 N -6.31 4.36 -0.12 2.43 1.43 -1.17 -4.99 118.68 114.31 3nni s LEU 971 Ca 0.04 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.30 3nni s LEU 971 Cb 0.07 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 3nni s LEU 971 CO 0.64 -0.73 0.77 -1.10 0.23 0.00 0.00 176.35 176.17 3nni s GLN 972 N 1.40 4.36 0.22 1.70 -0.21 -1.26 -5.04 119.66 120.83 3nni s GLN 972 Ca 0.67 0.96 0.01 0.00 0.02 0.00 0.00 55.36 57.01 3nni s GLN 972 Cb -0.38 -3.52 -0.05 0.00 1.00 0.00 0.00 33.01 30.06 3nni s GLN 972 CO 0.30 -0.15 0.09 -3.38 -2.12 0.00 0.00 175.29 170.03 3nni s HIS 973 N 1.54 1.33 0.27 0.91 -3.43 -1.26 -4.92 115.29 109.73 3nni s HIS 973 Ca 0.38 -1.22 0.06 0.00 -0.80 0.00 0.00 55.06 53.48 3nni s HIS 973 Cb -0.17 -0.74 -0.03 0.00 -1.43 0.00 0.00 32.58 30.21 3nni s HIS 973 CO 0.15 -0.42 0.35 0.00 -2.00 0.00 0.00 174.74 172.82 3nni n THR 975 N -1.41 1.80 -1.67 0.00 -2.24 -1.26 -2.83 114.28 106.67 3nni n THR 975 Ca -0.06 -1.46 -0.45 0.00 -2.27 0.00 0.00 64.05 59.80 3nni n THR 975 Cb 0.58 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3nni n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nni n VAL 977 N 2.24 0.01 -0.15 0.00 0.24 -1.26 -2.73 118.33 116.68 3nni n VAL 977 Ca 0.13 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3nni n VAL 977 Cb 0.30 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3nni n VAL 977 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3nni n ASP 978 N 0.75 0.00 -1.29 -1.34 3.85 -1.26 -5.01 116.55 112.24 3nni n ASP 978 Ca 0.08 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.24 3nni n ASP 978 Cb 0.33 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.41 3nni n ASP 978 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3nni n ASP 979 N 0.00 4.26 -2.92 -1.12 5.75 -1.26 -4.57 116.55 116.69 3nni n ASP 979 Ca 0.00 -2.44 -0.21 0.00 -0.01 0.00 0.00 54.79 52.13 3nni n ASP 979 Cb 0.00 -0.51 0.04 0.00 -1.03 0.00 0.00 41.12 39.63 3nni n ASP 979 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3nni n SER 981 N -2.29 0.77 -4.90 0.00 3.41 -1.26 -4.59 113.62 104.77 3nni n SER 981 Ca -0.08 -0.66 -0.28 0.00 -0.26 0.00 0.00 58.87 57.59 3nni n SER 981 Cb 0.60 0.66 -0.01 0.00 -0.26 0.00 0.00 64.21 65.20 3nni n SER 981 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3nni s SER 982 N -3.00 6.32 0.34 4.04 1.04 -1.26 -4.99 113.70 116.19 3nni s SER 982 Ca 0.09 0.92 0.26 0.00 0.48 0.00 0.00 55.95 57.71 3nni s SER 982 Cb 0.17 -2.24 1.11 0.00 0.10 0.00 0.00 66.02 65.16 3nni s SER 982 CO 0.79 -0.50 1.79 0.77 0.98 0.00 0.00 173.24 177.07 3nni h SER 983 N 0.54 0.00 0.48 7.02 4.64 -2.01 -3.03 113.55 121.19 3nni h SER 983 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3nni h SER 983 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3nni h SER 983 CO 0.62 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.38 3nni n ASN 984 N -2.46 0.00 -4.66 4.97 5.15 -1.26 -4.63 115.26 112.37 3nni n ASN 984 Ca 0.01 -0.17 -0.42 0.00 -0.60 0.00 0.00 54.58 53.40 3nni n ASN 984 Cb 0.24 -0.26 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 3nni n ASN 984 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3nni h LEU 986 N 10.66 1.09 -0.88 0.00 -0.00 -1.88 -0.44 115.31 123.86 3nni h LEU 986 Ca -0.43 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.35 3nni h LEU 986 Cb 1.20 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 3nni h LEU 986 CO 0.95 0.76 -0.03 0.00 -0.00 0.00 0.00 178.44 180.13 3nni h GLY 988 N 0.98 0.53 1.56 0.00 0.00 -1.66 -3.09 103.07 101.39 3nni h GLY 988 Ca 0.14 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3nni h GLY 988 CO 0.02 0.40 0.27 1.46 0.00 0.00 0.00 176.54 178.69 3nni h GLN 989 N 0.24 0.59 -0.19 4.80 4.20 -0.85 -1.33 115.11 122.57 3nni h GLN 989 Ca 0.06 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3nni h GLN 989 Cb 0.53 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3nni h GLN 989 CO 0.03 0.42 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.40 3nni h LEU 990 N 0.60 0.29 -3.48 1.46 3.38 -1.20 -2.12 115.31 114.24 3nni h LEU 990 Ca 0.16 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.77 3nni h LEU 990 Cb -0.02 -0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.47 3nni h LEU 990 CO -0.03 0.45 0.38 -1.20 0.09 0.00 0.00 178.44 178.13 3nni n SER 991 N -4.25 4.00 0.00 -0.43 7.64 -0.66 -4.89 113.62 115.03 3nni n SER 991 Ca -0.00 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.72 3nni n SER 991 Cb 0.28 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3nni n SER 991 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3nni n ILE 992 N -0.44 0.00 -3.46 0.44 -0.00 -0.80 -4.64 119.36 110.46 3nni n ILE 992 Ca 0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 63.06 3nni n ILE 992 Cb 1.34 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.95 3nni n ILE 992 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3nni s ARG 993 N 0.00 1.05 -0.32 6.28 1.70 -0.59 -4.57 118.95 122.50 3nni s ARG 993 Ca 0.00 -0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 54.62 3nni s ARG 993 Cb 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3nni s ARG 993 CO 0.00 -0.45 1.50 0.00 -1.08 0.00 0.00 175.30 175.27 3nni n TRP 995 N 8.66 0.00 -3.04 0.00 7.02 -1.26 -4.82 117.44 123.99 3nni n TRP 995 Ca 0.18 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.26 3nni n TRP 995 Cb 0.47 -0.42 -0.06 0.00 -2.42 0.00 0.00 31.31 28.88 3nni n TRP 995 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3nni s TYR 996 N -2.84 3.87 0.00 -5.99 2.02 -1.26 -0.60 117.35 112.56 3nni s TYR 996 Ca 0.16 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 3nni s TYR 996 Cb 0.16 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 3nni s TYR 996 CO 0.41 0.51 0.00 -0.40 -1.57 0.00 0.00 175.55 174.50 3nni n ASP 997 N 1.73 0.00 -0.22 2.29 5.68 0.10 -4.87 116.55 121.26 3nni n ASP 997 Ca -0.06 -0.22 -0.01 0.00 -0.50 0.00 0.00 54.79 54.00 3nni n ASP 997 Cb 0.49 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.58 3nni n ASP 997 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3nni h LYS 998 N 0.00 0.55 -0.45 0.11 3.64 -1.98 -2.75 116.57 115.68 3nni h LYS 998 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3nni h LYS 998 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3nni h LYS 998 CO 0.00 0.36 0.00 -0.25 -2.27 0.00 0.00 179.45 177.29 3nni n ASP 999 N -4.88 2.91 0.00 4.20 8.00 -1.26 -4.93 116.55 120.59 3nni n ASP 999 Ca 0.09 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.64 3nni n ASP 999 Cb 0.23 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3nni n ASP 999 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nni n GLY 1000N 1.38 0.46 3.91 0.44 0.00 -1.04 -5.07 105.19 105.28 3nni n GLY 1000Ca 0.19 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3nni n GLY 1000CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nni s ARG 1001N -1.76 3.52 0.27 1.61 0.52 -1.26 -4.67 118.95 117.18 3nni s ARG 1001Ca 0.00 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 3nni s ARG 1001Cb 0.00 -2.99 -0.11 0.00 0.52 0.00 0.00 34.95 32.37 3nni s ARG 1001CO 0.00 0.58 1.49 -0.51 0.02 0.00 0.00 175.30 176.88 3nni s LEU 1002N -2.38 4.37 0.38 2.53 1.43 -0.26 0.02 118.68 124.78 3nni s LEU 1002Ca 0.35 2.79 -0.27 0.00 -1.03 0.00 0.00 54.13 55.96 3nni s LEU 1002Cb -0.13 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 3nni s LEU 1002CO 0.24 -0.78 1.40 -0.76 0.23 0.00 0.00 176.35 176.69 3nni s LEU 1003N -0.56 4.30 0.33 1.79 1.43 0.24 -4.57 118.68 121.63 3nni s LEU 1003Ca 0.60 2.88 0.11 0.00 -1.03 0.00 0.00 54.13 56.69 3nni s LEU 1003Cb -0.44 -3.74 0.95 0.00 0.03 0.00 0.00 46.19 42.99 3nni s LEU 1003CO 0.46 -0.83 1.71 0.06 0.23 0.00 0.00 176.35 177.98 3nni h GLN 1004N 2.93 0.49 0.00 1.70 -0.00 -1.93 0.32 115.11 118.62 3nni h GLN 1004Ca -0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 3nni h GLN 1004Cb 1.24 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 3nni h GLN 1004CO 0.64 0.32 0.00 0.39 -0.00 0.00 0.00 178.83 180.18 3nni n GLU 1005N -4.91 0.14 -1.67 0.06 4.71 -1.26 -4.84 120.64 112.87 3nni n GLU 1005Ca 0.28 0.53 -0.45 0.00 -0.01 0.00 0.00 57.16 57.51 3nni n GLU 1005Cb 0.82 -1.87 -0.03 0.00 -1.01 0.00 0.00 31.44 29.35 3nni n GLU 1005CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3nni n PHE 1006N -2.15 2.25 -2.17 -0.32 7.35 0.10 -4.90 117.46 117.62 3nni n PHE 1006Ca 0.00 0.35 -0.41 0.00 -0.76 0.00 0.00 57.45 56.64 3nni n PHE 1006Cb 0.11 -2.50 -0.03 0.00 0.35 0.00 0.00 39.48 37.40 3nni n PHE 1006CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3nni s ASN 1007N 0.57 5.73 0.31 -2.13 3.84 -1.26 -4.86 114.94 117.14 3nni s ASN 1007Ca 0.73 0.50 0.17 0.00 0.21 0.00 0.00 52.86 54.46 3nni s ASN 1007Cb -0.65 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 37.69 3nni s ASN 1007CO 0.44 -1.98 1.50 0.07 -2.79 0.00 0.00 177.10 174.34 3nni h LYS 1008N 13.00 0.00 0.00 0.43 5.09 -1.94 -3.12 116.57 130.04 3nni h LYS 1008Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.45 3nni h LYS 1008Cb 1.14 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.46 3nni h LYS 1008CO 1.17 0.43 -0.06 -0.84 -2.09 0.00 0.00 179.45 178.06 3nni h ILE 1009N 0.00 0.76 -3.24 0.07 -2.65 -2.02 -3.42 117.51 107.01 3nni h ILE 1009Ca -0.00 -1.59 -0.65 0.00 1.03 0.00 0.00 64.86 63.65 3nni h ILE 1009Cb 1.28 1.45 -0.40 0.00 -2.05 0.00 0.00 36.82 37.11 3nni h ILE 1009CO 0.06 0.26 -0.46 -1.83 0.03 0.00 0.00 178.15 176.21 3nni s GLU 1010N -1.87 2.56 0.23 0.16 1.03 -1.26 -5.11 118.70 114.44 3nni s GLU 1010Ca -0.09 -3.12 -0.30 0.00 0.03 0.00 0.00 54.97 51.50 3nni s GLU 1010Cb -0.01 -3.55 -0.09 0.00 -0.80 0.00 0.00 34.13 29.68 3nni s GLU 1010CO 0.31 -1.24 1.19 -2.14 -1.33 0.00 0.00 175.26 172.05 3nni s PRO 1011N -1.08 4.51 0.70 -4.83 0.02 -1.18 -4.74 135.00 128.41 3nni s PRO 1011Ca 0.23 1.90 -0.10 0.00 0.02 0.00 0.00 61.00 63.05 3nni s PRO 1011Cb -0.11 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.23 3nni s PRO 1011CO -0.11 -0.02 1.06 -1.25 -0.33 0.00 0.00 177.00 176.35 3nni s PRO 1012N -0.73 2.67 0.19 5.54 0.04 -1.26 -4.92 135.00 136.53 3nni s PRO 1012Ca 0.50 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3nni s PRO 1012Cb -0.33 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 3nni s PRO 1012CO 0.40 -1.07 1.29 -0.51 0.04 0.00 0.00 177.00 177.14 3nni s LEU 1013N -5.31 4.42 -0.26 -3.56 1.43 -1.26 -4.69 118.68 109.45 3nni s LEU 1013Ca 0.58 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.94 3nni s LEU 1013Cb -0.11 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3nni s LEU 1013CO 0.49 -0.50 0.11 -0.63 0.23 0.00 0.00 176.35 176.06 3nni s ILE 1014N 0.17 4.68 -0.48 -0.59 1.01 -0.83 -4.39 121.20 120.78 3nni s ILE 1014Ca 0.56 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 3nni s ILE 1014Cb -0.35 -3.20 0.12 0.00 0.01 0.00 0.00 42.46 39.03 3nni s ILE 1014CO 0.37 0.31 0.36 -0.36 0.00 0.00 0.00 174.94 175.62 3nni s PHE 1015N 1.63 3.39 0.66 3.97 0.08 -1.26 -1.05 117.98 125.39 3nni s PHE 1015Ca 0.06 -1.74 -0.11 0.00 0.12 0.00 0.00 56.93 55.27 3nni s PHE 1015Cb -0.15 -3.49 -0.02 0.00 -0.57 0.00 0.00 43.02 38.79 3nni s PHE 1015CO 0.06 -0.98 1.05 -1.21 -0.10 0.00 0.00 175.22 174.04 3nni s GLU 1016N 1.41 3.28 0.66 0.44 2.02 -0.49 -4.49 118.70 121.53 3nni s GLU 1016Ca 0.05 0.76 -0.17 0.00 0.02 0.00 0.00 54.97 55.63 3nni s GLU 1016Cb -0.26 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3nni s GLU 1016CO 0.00 -0.80 1.19 0.00 0.02 0.00 0.00 175.26 175.67 3nni n ASN 1018N -2.20 0.40 0.00 0.00 0.23 -1.26 -4.80 115.26 107.63 3nni n ASN 1018Ca 0.13 -2.19 0.04 0.00 -0.53 0.00 0.00 54.58 52.03 3nni n ASN 1018Cb 0.50 0.73 0.21 0.00 -2.08 0.00 0.00 39.78 39.13 3nni n ASN 1018CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3nni n GLN 1019N -0.43 0.08 0.01 -3.83 0.00 -1.26 -2.21 117.38 109.74 3nni n GLN 1019Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 57.00 57.37 3nni n GLN 1019Cb 0.33 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.00 3nni n GLN 1019CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3nni n ALA 1020N -1.37 3.45 -1.58 2.61 0.00 -1.26 -4.96 120.51 117.39 3nni n ALA 1020Ca 0.03 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 3nni n ALA 1020Cb 0.08 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 18.71 3nni n ALA 1020CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nni n SER 1022N -2.08 0.53 -4.35 0.00 3.41 -1.13 -4.91 113.62 105.08 3nni n SER 1022Ca 0.11 0.26 -0.29 0.00 -0.26 0.00 0.00 58.87 58.69 3nni n SER 1022Cb 0.51 -0.23 0.20 0.00 -0.26 0.00 0.00 64.21 64.43 3nni n SER 1022CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nni s TRP 1024N -3.00 3.48 -0.18 0.00 0.52 -1.26 -4.99 118.94 113.51 3nni s TRP 1024Ca 0.68 0.76 0.22 0.00 0.02 0.00 0.00 56.10 57.78 3nni s TRP 1024Cb -0.15 -2.21 1.21 0.00 -1.15 0.00 0.00 33.47 31.18 3nni s TRP 1024CO 0.57 0.05 1.69 -2.13 0.02 0.00 0.00 176.95 177.15 3nni n ARG 1025N -1.21 0.15 -0.83 4.98 3.00 -1.26 -2.05 116.66 119.43 3nni n ARG 1025Ca -0.00 0.64 -0.01 0.00 -0.00 0.00 0.00 57.85 58.47 3nni n ARG 1025Cb 0.54 -1.98 0.28 0.00 0.00 0.00 0.00 32.46 31.30 3nni n ARG 1025CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3nni n ASN 1026N -2.29 4.21 -4.57 6.15 6.94 -1.26 -4.96 115.26 119.48 3nni n ASN 1026Ca -0.01 -3.26 -0.29 0.00 -0.02 0.00 0.00 54.58 51.00 3nni n ASN 1026Cb 0.04 -0.67 0.17 0.00 -2.36 0.00 0.00 39.78 36.95 3nni n ASN 1026CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3nni n LYS 1028N -4.04 0.20 -2.27 0.00 4.76 0.11 -3.93 118.16 113.00 3nni n LYS 1028Ca 0.08 0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 3nni n LYS 1028Cb 0.59 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.29 3nni n LYS 1028CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3nni n ASN 1029N -1.38 5.60 -2.61 4.39 5.15 -1.26 -4.69 115.26 120.46 3nni n ASN 1029Ca 0.09 -3.76 -0.00 0.00 -0.60 0.00 0.00 54.58 50.32 3nni n ASN 1029Cb 0.24 -0.64 0.06 0.00 -0.53 0.00 0.00 39.78 38.91 3nni n ASN 1029CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3nni n ARG 1030N -0.52 1.43 0.21 1.20 1.74 -1.25 -0.61 116.66 118.85 3nni n ARG 1030Ca 0.44 -2.90 -0.11 0.00 -0.77 0.00 0.00 57.85 54.51 3nni n ARG 1030Cb 0.55 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 3nni n ARG 1030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3nni h VAL 1031N 5.50 0.22 -0.72 1.55 2.07 -1.88 -3.06 116.25 119.93 3nni h VAL 1031Ca -0.21 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3nni h VAL 1031Cb 1.35 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3nni h VAL 1031CO 0.10 0.05 0.34 0.58 0.02 0.00 0.00 177.57 178.66 3nni h VAL 1032N -1.08 1.24 0.00 2.57 2.07 -1.94 -2.50 116.25 116.60 3nni h VAL 1032Ca -0.06 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3nni h VAL 1032Cb 0.53 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3nni h VAL 1032CO 0.10 0.28 0.00 0.06 0.02 0.00 0.00 177.57 178.03 3nni h GLN 1033N 1.01 0.00 -0.00 1.57 3.07 -1.97 -1.83 115.11 116.96 3nni h GLN 1033Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 3nni h GLN 1033Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 3nni h GLN 1033CO -0.03 0.00 -0.07 0.43 0.09 0.00 0.00 178.83 179.25 3nni n SER 1034N -2.36 0.10 -0.32 0.06 7.64 -0.94 -5.05 113.62 112.75 3nni n SER 1034Ca 0.01 0.19 0.04 0.00 1.01 0.00 0.00 58.87 60.12 3nni n SER 1034Cb 0.17 -0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 3nni n SER 1034CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nni n GLY 1035N 1.44 -2.10 3.69 0.23 0.00 -0.69 -4.89 105.19 102.87 3nni n GLY 1035Ca 0.09 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 3nni n GLY 1035CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3nni n ILE 1036N -1.47 0.11 0.01 -0.61 5.41 -1.26 -4.92 119.36 116.64 3nni n ILE 1036Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3nni n ILE 1036Cb 0.12 -1.79 -0.01 0.00 -0.71 0.00 0.00 39.64 37.25 3nni n ILE 1036CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3nni n LYS 1037N 4.23 1.50 -3.54 0.38 4.76 -1.26 -4.36 118.16 119.87 3nni n LYS 1037Ca 0.17 -0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.26 3nni n LYS 1037Cb 0.32 -0.92 -0.06 0.00 -1.84 0.00 0.00 35.03 32.54 3nni n LYS 1037CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3nni s VAL 1038N -1.85 5.06 -0.39 -0.18 -7.23 -1.26 -5.02 120.40 109.52 3nni s VAL 1038Ca -0.00 0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 3nni s VAL 1038Cb 0.01 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.30 3nni s VAL 1038CO 0.04 0.31 1.28 -0.13 -0.31 0.00 0.00 175.10 176.28 3nni s ARG 1039N -1.85 3.75 0.25 4.82 1.81 -1.26 -4.98 118.95 121.50 3nni s ARG 1039Ca 0.33 0.93 0.09 0.00 -1.72 0.00 0.00 55.73 55.36 3nni s ARG 1039Cb -0.14 -3.93 -0.04 0.00 -0.45 0.00 0.00 34.95 30.39 3nni s ARG 1039CO 0.18 -1.34 0.02 -0.51 -0.68 0.00 0.00 175.30 172.97 3nni s LEU 1040N 4.72 3.28 -0.02 2.53 1.43 -1.26 -1.45 118.68 127.92 3nni s LEU 1040Ca 0.55 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3nni s LEU 1040Cb -0.13 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3nni s LEU 1040CO 0.28 0.01 0.02 -1.58 0.23 0.00 0.00 176.35 175.31 3nni s GLN 1041N -3.61 -0.01 -0.36 1.70 0.74 -0.38 -4.07 119.66 113.67 3nni s GLN 1041Ca 0.31 0.13 -0.22 0.00 0.05 0.00 0.00 55.36 55.63 3nni s GLN 1041Cb -0.07 -0.20 0.01 0.00 1.10 0.00 0.00 33.01 33.85 3nni s GLN 1041CO 0.20 -0.12 0.73 -1.17 -0.55 0.00 0.00 175.29 174.38 3nni s LEU 1042N 0.79 4.18 0.18 3.68 2.96 -0.35 -1.33 118.68 128.80 3nni s LEU 1042Ca -0.07 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 3nni s LEU 1042Cb -0.10 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 3nni s LEU 1042CO -0.02 -0.68 -0.08 -0.72 -1.32 0.00 0.00 176.35 173.52 3nni s TYR 1043N 2.95 1.43 -0.21 5.38 -0.85 -0.20 -1.33 117.35 124.52 3nni s TYR 1043Ca 0.29 -0.76 -0.19 0.00 -0.52 0.00 0.00 57.07 55.88 3nni s TYR 1043Cb -0.14 -0.75 -0.03 0.00 0.38 0.00 0.00 41.96 41.43 3nni s TYR 1043CO 0.16 0.11 0.56 0.50 -1.52 0.00 0.00 175.55 175.36 3nni s ARG 1044N -3.76 4.17 0.87 -3.49 6.06 -1.10 -0.41 118.95 121.29 3nni s ARG 1044Ca 0.21 0.47 -0.13 0.00 -2.50 0.00 0.00 55.73 53.78 3nni s ARG 1044Cb 0.03 -3.59 0.20 0.00 0.06 0.00 0.00 34.95 31.65 3nni s ARG 1044CO 0.04 -0.23 1.18 0.25 -2.50 0.00 0.00 175.30 174.04 3nni n THR 1045N 4.75 0.00 -0.04 4.11 -2.24 0.18 -4.68 114.28 116.35 3nni n THR 1045Ca -0.03 -0.98 -0.06 0.00 -2.27 0.00 0.00 64.05 60.70 3nni n THR 1045Cb 0.50 -1.46 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 3nni n THR 1045CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nni n ALA 1046N -3.67 1.69 -0.91 6.98 0.00 -1.26 -4.58 120.51 118.75 3nni n ALA 1046Ca -0.19 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3nni n ALA 1046Cb 0.53 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3nni n ALA 1046CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3nni n LYS 1047N -2.82 0.01 0.00 0.00 4.01 -1.26 -4.87 118.16 113.22 3nni n LYS 1047Ca -0.21 -0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.39 3nni n LYS 1047Cb 1.02 -0.54 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 3nni n LYS 1047CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3nni n MET 1048N -0.01 0.97 0.00 1.97 2.81 -1.26 -4.83 117.12 116.77 3nni n MET 1048Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3nni n MET 1048Cb 0.30 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3nni n MET 1048CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nni n GLY 1049N -0.23 1.71 3.80 3.03 0.00 -1.26 -4.80 105.19 107.43 3nni n GLY 1049Ca 0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 3nni n GLY 1049CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nni s TRP 1050N 0.00 3.78 0.20 1.61 0.52 -1.26 0.52 118.94 124.30 3nni s TRP 1050Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.53 3nni s TRP 1050Cb 0.00 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 3nni s TRP 1050CO 0.00 0.47 0.13 0.20 0.02 0.00 0.00 176.95 177.77 3nni s GLY 1051N -1.35 1.39 -0.12 0.98 0.00 0.45 -4.75 107.32 103.92 3nni s GLY 1051Ca 0.37 -1.67 0.03 0.00 0.00 0.00 0.00 44.72 43.45 3nni s GLY 1051CO 0.22 -1.38 -0.22 0.14 0.00 0.00 0.00 173.10 171.86 3nni s VAL 1052N -4.15 2.00 0.18 1.40 1.01 -1.21 -1.03 120.40 118.59 3nni s VAL 1052Ca 0.38 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3nni s VAL 1052Cb 0.07 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3nni s VAL 1052CO 0.11 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.65 3nni s ARG 1053N 0.65 1.18 0.16 2.72 1.70 -0.44 -0.92 118.95 124.00 3nni s ARG 1053Ca -0.11 -1.53 -0.21 0.00 -0.47 0.00 0.00 55.73 53.41 3nni s ARG 1053Cb -0.16 -0.77 -0.08 0.00 -0.57 0.00 0.00 34.95 33.37 3nni s ARG 1053CO 0.02 0.08 0.69 0.00 -1.08 0.00 0.00 175.30 175.01 3nni s ALA 1054N -3.23 3.49 -0.46 7.88 0.00 -1.06 -1.25 121.76 127.11 3nni s ALA 1054Ca 0.20 0.17 0.16 0.00 0.00 0.00 0.00 51.96 52.49 3nni s ALA 1054Cb 0.02 -2.79 0.63 0.00 0.00 0.00 0.00 23.12 20.97 3nni s ALA 1054CO 0.04 0.35 1.54 1.28 0.00 0.00 0.00 175.76 178.96 3nni n LEU 1055N 1.28 4.48 -3.68 0.00 4.77 -0.52 -0.49 117.00 122.83 3nni n LEU 1055Ca -0.06 -2.77 -0.07 0.00 -0.03 0.00 0.00 56.01 53.08 3nni n LEU 1055Cb 0.50 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3nni n LEU 1055CO 0.43 0.70 0.58 0.00 -1.33 0.00 0.00 177.39 177.77 3nni s GLN 1056N -2.42 1.33 0.25 3.23 -2.07 -1.26 -4.93 119.66 113.79 3nni s GLN 1056Ca 0.45 -0.66 -0.30 0.00 -1.82 0.00 0.00 55.36 53.04 3nni s GLN 1056Cb 0.34 0.50 -0.09 0.00 -1.09 0.00 0.00 33.01 32.66 3nni s GLN 1056CO 0.15 -0.60 1.04 0.95 -1.32 0.00 0.00 175.29 175.51 3nni s THR 1057N -3.54 3.74 -0.18 3.63 -4.23 -1.26 -4.12 115.64 109.69 3nni s THR 1057Ca 0.08 1.72 0.00 0.00 -1.18 0.00 0.00 61.69 62.32 3nni s THR 1057Cb -0.03 -4.09 0.04 0.00 1.34 0.00 0.00 72.50 69.76 3nni s THR 1057CO -0.01 0.40 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.75 3nni s ILE 1058N -1.04 1.42 0.63 2.99 1.01 0.00 -5.00 121.20 121.22 3nni s ILE 1058Ca 0.44 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3nni s ILE 1058Cb -0.29 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 3nni s ILE 1058CO 0.37 0.17 1.06 -2.84 0.00 0.00 0.00 174.94 173.70 3nni s PRO 1059N 1.50 3.15 0.21 2.79 0.02 -1.26 -0.17 135.00 141.24 3nni s PRO 1059Ca -0.00 1.11 -0.32 0.00 0.02 0.00 0.00 61.00 61.81 3nni s PRO 1059Cb -0.16 -2.01 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 3nni s PRO 1059CO -0.08 -0.94 1.30 0.94 -0.33 0.00 0.00 177.00 177.89 3nni n GLN 1060N -2.47 1.66 -0.77 5.54 7.27 -1.24 -2.56 117.38 124.81 3nni n GLN 1060Ca 0.08 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.74 3nni n GLN 1060Cb 0.53 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 31.01 3nni n GLN 1060CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3nni n GLY 1061N 2.06 0.81 3.72 1.69 0.00 0.19 -4.62 105.19 109.05 3nni n GLY 1061Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3nni n GLY 1061CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nni s THR 1062N -3.11 4.18 0.11 2.61 2.01 -1.06 -1.10 115.64 119.28 3nni s THR 1062Ca 0.00 1.70 -0.31 0.00 0.31 0.00 0.00 61.69 63.39 3nni s THR 1062Cb 0.00 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 3nni s THR 1062CO 0.00 0.21 1.43 0.12 -0.69 0.00 0.00 174.62 175.69 3nni s PHE 1063N 0.44 3.14 -0.04 4.92 5.36 -1.26 -1.26 117.98 129.28 3nni s PHE 1063Ca 0.53 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 57.32 3nni s PHE 1063Cb -0.27 -3.73 -0.01 0.00 -0.34 0.00 0.00 43.02 38.67 3nni s PHE 1063CO 0.31 -2.61 -0.06 -0.89 -1.46 0.00 0.00 175.22 170.51 3nni n ILE 1064N 4.06 0.33 -3.83 3.12 2.08 0.84 -4.62 119.36 121.35 3nni n ILE 1064Ca 0.12 0.42 -0.06 0.00 0.56 0.00 0.00 62.75 63.79 3nni n ILE 1064Cb 0.42 -1.70 -0.01 0.00 -0.75 0.00 0.00 39.64 37.60 3nni n ILE 1064CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3nni s GLU 1066N -3.29 3.04 -0.86 0.00 2.12 -1.26 -0.61 118.70 117.84 3nni s GLU 1066Ca 0.13 -0.45 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 3nni s GLU 1066Cb -0.05 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.55 3nni s GLU 1066CO 0.07 0.67 1.31 -0.47 -0.54 0.00 0.00 175.26 176.30 3nni s TYR 1067N -1.10 2.48 -0.13 5.30 5.04 0.19 -4.48 117.35 124.64 3nni s TYR 1067Ca 0.20 -0.52 -0.09 0.00 -2.44 0.00 0.00 57.07 54.22 3nni s TYR 1067Cb -0.12 -4.60 -0.04 0.00 0.35 0.00 0.00 41.96 37.55 3nni s TYR 1067CO 0.10 -1.94 0.16 0.08 -1.34 0.00 0.00 175.55 172.61 3nni s VAL 1068N 5.05 5.44 0.00 3.14 1.01 -1.26 -4.52 120.40 129.27 3nni s VAL 1068Ca 0.38 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3nni s VAL 1068Cb -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3nni s VAL 1068CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3nni n GLY 1069N 2.41 2.32 3.71 4.51 0.00 -1.26 -2.85 105.19 114.04 3nni n GLY 1069Ca -0.18 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3nni n GLY 1069CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nni s GLU 1070N 1.46 4.27 -0.39 1.61 2.12 0.58 -1.84 118.70 126.51 3nni s GLU 1070Ca 0.00 0.24 -0.26 0.00 0.36 0.00 0.00 54.97 55.31 3nni s GLU 1070Cb 0.00 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.96 3nni s GLU 1070CO 0.00 0.15 0.95 -0.51 -0.54 0.00 0.00 175.26 175.32 3nni s LEU 1071N 0.69 3.96 0.07 2.70 1.43 0.80 -0.80 118.68 127.54 3nni s LEU 1071Ca 0.20 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3nni s LEU 1071Cb -0.14 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 3nni s LEU 1071CO 0.07 -0.94 -0.10 0.27 0.23 0.00 0.00 176.35 175.88 3nni s ILE 1072N 3.64 0.82 0.87 -0.59 -4.36 -0.51 -4.38 121.20 116.70 3nni s ILE 1072Ca 0.39 -1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 59.28 3nni s ILE 1072Cb -0.11 -1.04 0.12 0.00 1.25 0.00 0.00 42.46 42.68 3nni s ILE 1072CO 0.21 -0.43 1.17 -0.94 0.24 0.00 0.00 174.94 175.19 3nni s SER 1073N -2.00 3.88 0.17 4.36 1.04 -1.26 -0.16 113.70 119.73 3nni s SER 1073Ca -0.02 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.09 3nni s SER 1073Cb -0.07 -1.28 0.07 0.00 0.10 0.00 0.00 66.02 64.85 3nni s SER 1073CO 0.00 -2.30 1.78 -2.24 0.98 0.00 0.00 173.24 171.47 3nni h ASP 1074N -1.33 0.72 -0.29 7.02 2.03 -1.85 -0.27 116.42 122.44 3nni h ASP 1074Ca -0.48 -0.09 -0.05 0.00 -0.73 0.00 0.00 57.03 55.68 3nni h ASP 1074Cb 1.32 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.62 3nni h ASP 1074CO 0.61 0.61 0.04 0.00 -1.03 0.00 0.00 179.24 179.47 3nni h ALA 1075N 1.14 1.36 0.00 4.15 0.00 -1.94 -0.29 119.26 123.68 3nni h ALA 1075Ca 0.20 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3nni h ALA 1075Cb 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.69 3nni h ALA 1075CO -0.03 0.45 -1.04 1.49 0.00 0.00 0.00 179.25 180.12 3nni h GLU 1076N 0.57 0.67 -0.43 0.00 4.57 -1.87 -3.18 114.58 114.91 3nni h GLU 1076Ca 0.12 -0.72 -0.08 0.00 -1.18 0.00 0.00 59.36 57.50 3nni h GLU 1076Cb 0.30 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3nni h GLU 1076CO 0.01 1.31 -0.07 0.00 -1.18 0.00 0.00 179.01 179.07 3nni h ALA 1077N 0.44 1.08 0.00 2.92 0.00 -0.76 -2.71 119.26 120.23 3nni h ALA 1077Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3nni h ALA 1077Cb 1.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3nni h ALA 1077CO 0.20 0.57 0.00 -0.44 0.00 0.00 0.00 179.25 179.58 3nni h ASP 1078N 0.68 0.00 -0.07 0.00 3.32 -1.11 -2.82 116.42 116.43 3nni h ASP 1078Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3nni h ASP 1078Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3nni h ASP 1078CO 0.03 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.88 3nni n VAL 1079N -2.35 0.05 -2.98 -1.35 0.24 -1.03 -4.97 118.33 105.94 3nni n VAL 1079Ca 0.03 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.34 61.47 3nni n VAL 1079Cb 0.29 1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 3nni n VAL 1079CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3nni s ARG 1080N -1.95 4.51 -0.03 7.34 1.81 -1.07 -5.02 118.95 124.55 3nni s ARG 1080Ca 0.32 1.09 -0.20 0.00 -1.72 0.00 0.00 55.73 55.21 3nni s ARG 1080Cb 0.20 -3.33 -0.14 0.00 -0.45 0.00 0.00 34.95 31.23 3nni s ARG 1080CO 0.31 0.38 0.89 1.05 -0.68 0.00 0.00 175.30 177.24 3nni h GLU 1081N 5.24 -0.35 -5.68 3.54 4.11 -1.93 -3.43 114.58 116.09 3nni h GLU 1081Ca -0.45 0.02 -0.61 0.00 0.07 0.00 0.00 59.36 58.40 3nni h GLU 1081Cb 1.21 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.43 3nni h GLU 1081CO 0.69 -0.01 0.32 0.34 0.07 0.00 0.00 179.01 180.42 3nni s ASP 1082N -5.23 6.63 -0.20 3.06 -1.08 -1.26 -4.95 116.67 113.65 3nni s ASP 1082Ca -0.12 0.65 0.13 0.00 -0.52 0.00 0.00 52.55 52.69 3nni s ASP 1082Cb 0.01 -2.38 0.40 0.00 -1.46 0.00 0.00 42.92 39.49 3nni s ASP 1082CO 0.43 -0.55 1.23 -0.90 0.52 0.00 0.00 175.17 175.90 3nni n ASP 1083N 6.06 2.01 -0.35 -0.34 5.75 -1.26 -4.69 116.55 123.72 3nni n ASP 1083Ca 0.02 -3.67 0.13 0.00 -0.01 0.00 0.00 54.79 51.27 3nni n ASP 1083Cb 0.48 -0.52 0.46 0.00 -1.03 0.00 0.00 41.12 40.51 3nni n ASP 1083CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3nni n SER 1084N -1.18 1.23 -0.46 -1.12 7.64 -1.26 -4.08 113.62 114.39 3nni n SER 1084Ca 0.20 -1.17 0.05 0.00 1.01 0.00 0.00 58.87 58.96 3nni n SER 1084Cb 0.72 0.06 0.08 0.00 -1.01 0.00 0.00 64.21 64.07 3nni n SER 1084CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3nni n TYR 1085N -0.27 0.00 -3.35 1.43 4.01 -1.26 -5.06 117.16 112.66 3nni n TYR 1085Ca 0.16 -0.63 -0.38 0.00 -0.16 0.00 0.00 57.90 56.89 3nni n TYR 1085Cb 0.35 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 3nni n TYR 1085CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3nni s LEU 1086N -1.52 4.35 -0.17 7.72 1.43 -1.26 -1.40 118.68 127.84 3nni s LEU 1086Ca 0.21 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3nni s LEU 1086Cb 0.20 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.74 3nni s LEU 1086CO -0.02 0.11 -0.19 0.12 0.23 0.00 0.00 176.35 176.60 3nni s PHE 1087N 0.02 2.64 0.15 0.29 5.36 -0.45 -4.97 117.98 121.03 3nni s PHE 1087Ca 0.26 -1.52 -0.30 0.00 -0.96 0.00 0.00 56.93 54.41 3nni s PHE 1087Cb -0.16 -1.84 -0.07 0.00 -0.34 0.00 0.00 43.02 40.61 3nni s PHE 1087CO 0.12 -0.75 0.97 -0.51 -1.46 0.00 0.00 175.22 173.59 3nni s ASP 1088N 1.25 7.51 -0.61 6.13 1.01 -1.26 -1.47 116.67 129.22 3nni s ASP 1088Ca 0.03 1.87 0.05 0.00 0.71 0.00 0.00 52.55 55.21 3nni s ASP 1088Cb -0.13 -2.60 0.31 0.00 1.01 0.00 0.00 42.92 41.51 3nni s ASP 1088CO -0.11 -0.03 0.92 0.18 0.21 0.00 0.00 175.17 176.34 3nni n LEU 1089N 2.40 4.37 -4.76 1.23 4.77 -0.20 -4.99 117.00 119.82 3nni n LEU 1089Ca 0.01 -5.61 -0.39 0.00 -0.03 0.00 0.00 56.01 49.99 3nni n LEU 1089Cb 0.48 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3nni n LEU 1089CO 0.51 2.26 0.70 1.51 -1.33 0.00 0.00 177.39 181.05 3nni s ASP 1090N -3.14 7.37 0.06 -1.43 -4.77 -1.26 -3.61 116.67 109.88 3nni s ASP 1090Ca 0.46 2.04 -0.00 0.00 -3.30 0.00 0.00 52.55 51.75 3nni s ASP 1090Cb 0.24 -2.61 -0.00 0.00 -1.09 0.00 0.00 42.92 39.46 3nni s ASP 1090CO -0.10 -0.05 -0.01 0.59 0.70 0.00 0.00 175.17 176.30 3nni n ASN 1091N 1.05 0.70 -1.89 2.11 4.13 -1.26 -5.08 115.26 115.02 3nni n ASN 1091Ca -0.00 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.35 3nni n ASN 1091Cb 0.47 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 3nni n ASN 1091CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3nni n GLU 1095N -3.13 -0.21 -3.64 3.52 -0.00 -1.26 -5.24 120.64 110.68 3nni n GLU 1095Ca -0.00 0.44 -0.37 0.00 -0.00 0.00 0.00 57.16 57.23 3nni n GLU 1095Cb 0.01 -0.51 -0.07 0.00 -0.00 0.00 0.00 31.44 30.88 3nni n GLU 1095CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3nni s VAL 1096N -0.46 5.32 0.33 3.84 1.01 -1.26 -4.99 120.40 124.19 3nni s VAL 1096Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.53 3nni s VAL 1096Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3nni s VAL 1096CO 0.00 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.20 3nni s TYR 1097N -0.15 2.24 0.07 5.22 2.02 -1.24 -2.68 117.35 122.83 3nni s TYR 1097Ca 0.16 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3nni s TYR 1097Cb -0.13 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3nni s TYR 1097CO 0.05 0.44 -0.08 0.00 -1.57 0.00 0.00 175.55 174.39 3nni s ILE 1099N -2.11 3.74 -0.34 0.00 1.01 -0.54 -1.42 121.20 121.54 3nni s ILE 1099Ca -0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3nni s ILE 1099Cb -0.05 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3nni s ILE 1099CO -0.01 0.07 0.19 -0.62 0.00 0.00 0.00 174.94 174.57 3nni s ASP 1100N 1.45 5.72 -0.24 3.58 2.15 0.02 -1.33 116.67 128.03 3nni s ASP 1100Ca 0.02 -0.67 0.13 0.00 0.43 0.00 0.00 52.55 52.46 3nni s ASP 1100Cb -0.17 -2.04 0.81 0.00 -0.30 0.00 0.00 42.92 41.21 3nni s ASP 1100CO 0.01 -0.27 1.74 0.00 -0.17 0.00 0.00 175.17 176.48 3nni n ALA 1101N 5.02 3.93 0.05 3.66 0.00 -0.50 -0.30 120.51 132.37 3nni n ALA 1101Ca -0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 53.44 51.32 3nni n ALA 1101Cb 0.48 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 3nni n ALA 1101CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3nni h ARG 1102N 3.87 -0.23 0.06 0.00 9.65 -1.94 -3.38 114.38 122.41 3nni h ARG 1102Ca 0.02 0.02 -0.34 0.00 -1.10 0.00 0.00 59.98 58.58 3nni h ARG 1102Cb 1.99 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 30.59 3nni h ARG 1102CO 0.51 0.09 -1.93 0.66 2.80 0.00 0.00 179.97 182.09 3nni n TYR 1103N -4.92 1.02 -4.25 2.20 4.01 -1.26 -4.60 117.16 109.37 3nni n TYR 1103Ca -0.06 0.28 -0.26 0.00 -0.16 0.00 0.00 57.90 57.70 3nni n TYR 1103Cb 0.21 -1.16 -0.17 0.00 -0.31 0.00 0.00 39.34 37.92 3nni n TYR 1103CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3nni s TYR 1104N -2.57 1.49 0.18 -0.72 2.02 -1.26 0.35 117.35 116.84 3nni s TYR 1104Ca -0.15 -0.66 -0.22 0.00 -0.37 0.00 0.00 57.07 55.67 3nni s TYR 1104Cb 0.07 -1.16 0.08 0.00 -0.40 0.00 0.00 41.96 40.55 3nni s TYR 1104CO 0.79 -0.40 1.03 0.20 -1.57 0.00 0.00 175.55 175.59 3nni s GLY 1105N 1.17 0.07 0.00 0.71 0.00 -0.76 -3.60 107.32 104.91 3nni s GLY 1105Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3nni s GLY 1105CO -0.02 2.07 0.00 1.16 0.00 0.00 0.00 173.10 176.30 3nni n ASN 1106N -1.13 1.82 -0.07 1.64 6.94 -1.13 -1.48 115.26 121.85 3nni n ASN 1106Ca -0.03 -0.09 0.09 0.00 -0.02 0.00 0.00 54.58 54.53 3nni n ASN 1106Cb 0.60 0.00 0.47 0.00 -2.36 0.00 0.00 39.78 38.48 3nni n ASN 1106CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3nni h ILE 1107N 0.08 0.96 0.00 1.53 6.09 -1.89 -2.59 117.51 121.69 3nni h ILE 1107Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3nni h ILE 1107Cb 0.00 0.44 0.00 0.00 0.47 0.00 0.00 36.82 37.73 3nni h ILE 1107CO 0.00 0.09 0.00 -0.24 -3.07 0.00 0.00 178.15 174.93 3nni n SER 1108N -4.47 0.38 0.04 2.19 2.88 -1.26 -1.63 113.62 111.75 3nni n SER 1108Ca 0.08 0.68 0.12 0.00 -1.33 0.00 0.00 58.87 58.42 3nni n SER 1108Cb 0.28 -0.73 0.50 0.00 -0.75 0.00 0.00 64.21 63.51 3nni n SER 1108CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3nni n ARG 1109N -2.01 0.09 -0.13 -1.46 1.85 -0.98 -3.03 116.66 110.99 3nni n ARG 1109Ca -0.01 0.14 0.07 0.00 -1.00 0.00 0.00 57.85 57.05 3nni n ARG 1109Cb 0.03 -1.62 0.14 0.00 -1.05 0.00 0.00 32.46 29.96 3nni n ARG 1109CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3nni n PHE 1110N -1.78 0.35 -2.62 2.89 3.72 -0.64 -4.95 117.46 114.43 3nni n PHE 1110Ca 0.06 -0.28 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 3nni n PHE 1110Cb 0.33 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 3nni n PHE 1110CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3nni s ILE 1111N -1.11 4.58 0.85 4.37 1.09 -1.17 -3.36 121.20 126.47 3nni s ILE 1111Ca 0.25 1.90 -0.12 0.00 -1.10 0.00 0.00 60.65 61.58 3nni s ILE 1111Cb 0.15 -4.28 0.14 0.00 -1.06 0.00 0.00 42.46 37.40 3nni s ILE 1111CO 0.20 -0.23 1.20 0.20 -0.10 0.00 0.00 174.94 176.20 3nni s ASN 1112N 1.42 3.86 0.11 3.58 0.01 -1.26 -4.90 114.94 117.76 3nni s ASN 1112Ca 0.46 0.33 -0.22 0.00 -0.71 0.00 0.00 52.86 52.71 3nni s ASN 1112Cb -0.15 -0.61 -0.07 0.00 0.41 0.00 0.00 41.25 40.82 3nni s ASN 1112CO 0.09 -2.25 0.67 -2.28 -1.51 0.00 0.00 177.10 171.82 3nni s HIS 1113N -3.62 3.84 -0.07 2.20 5.65 -1.26 -2.97 115.29 119.06 3nni s HIS 1113Ca 0.68 1.43 0.01 0.00 0.25 0.00 0.00 55.06 57.44 3nni s HIS 1113Cb -0.07 -2.64 0.02 0.00 -1.18 0.00 0.00 32.58 28.71 3nni s HIS 1113CO 0.50 0.52 -0.09 -0.51 -0.65 0.00 0.00 174.74 174.51 3nni s LEU 1114N -1.00 1.40 0.51 8.88 1.43 -1.16 -4.68 118.68 124.05 3nni s LEU 1114Ca 0.32 -0.25 0.28 0.00 -1.03 0.00 0.00 54.13 53.45 3nni s LEU 1114Cb -0.21 -0.73 1.34 0.00 0.03 0.00 0.00 46.19 46.63 3nni s LEU 1114CO 0.22 -0.04 2.01 0.00 0.23 0.00 0.00 176.35 178.77 3nni s ASP 1116N -6.06 4.98 0.52 0.00 2.15 -1.26 -4.94 116.67 112.07 3nni s ASP 1116Ca -0.02 -3.41 -0.18 0.00 0.43 0.00 0.00 52.55 49.37 3nni s ASP 1116Cb 0.12 -1.73 -0.07 0.00 -0.30 0.00 0.00 42.92 40.94 3nni s ASP 1116CO 0.58 -0.20 1.03 -2.16 -0.17 0.00 0.00 175.17 174.25 3nni s PRO 1117N -0.86 3.70 0.00 4.34 0.04 -1.20 -4.99 135.00 136.04 3nni s PRO 1117Ca 0.22 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.54 3nni s PRO 1117Cb -0.14 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3nni s PRO 1117CO -0.09 -0.49 0.40 0.27 0.04 0.00 0.00 177.00 177.13 3nni n ASN 1118N -1.42 0.57 -4.22 6.66 0.23 -0.90 -4.92 115.26 111.25 3nni n ASN 1118Ca 0.08 -0.79 -0.20 0.00 -0.53 0.00 0.00 54.58 53.15 3nni n ASN 1118Cb 0.53 0.86 -0.12 0.00 -2.08 0.00 0.00 39.78 38.97 3nni n ASN 1118CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3nni s ILE 1119N -1.62 1.35 -0.00 1.53 -4.36 -1.10 -0.12 121.20 116.88 3nni s ILE 1119Ca 0.04 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.01 3nni s ILE 1119Cb 0.06 -1.33 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 3nni s ILE 1119CO 0.30 -0.22 -0.18 0.27 0.24 0.00 0.00 174.94 175.35 3nni s ILE 1120N -1.46 1.42 0.06 8.37 -4.36 0.67 -4.46 121.20 121.45 3nni s ILE 1120Ca 0.03 -0.84 -0.22 0.00 -0.26 0.00 0.00 60.65 59.36 3nni s ILE 1120Cb -0.09 -1.20 -0.06 0.00 1.25 0.00 0.00 42.46 42.36 3nni s ILE 1120CO 0.03 0.34 0.66 -2.16 0.24 0.00 0.00 174.94 174.05 3nni s PRO 1121N -0.59 4.38 -0.04 0.37 0.04 -1.26 -1.95 135.00 135.95 3nni s PRO 1121Ca 0.07 0.90 0.03 0.00 0.04 0.00 0.00 61.00 62.03 3nni s PRO 1121Cb -0.07 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3nni s PRO 1121CO -0.00 0.47 -0.11 0.08 0.04 0.00 0.00 177.00 177.48 3nni s VAL 1122N -0.63 0.96 -0.22 -0.36 1.01 0.80 -4.93 120.40 117.03 3nni s VAL 1122Ca 0.33 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3nni s VAL 1122Cb -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3nni s VAL 1122CO 0.21 0.30 1.11 -0.13 0.00 0.00 0.00 175.10 176.59 3nni s ARG 1123N 0.32 4.23 0.01 2.72 0.52 -1.26 -0.12 118.95 125.37 3nni s ARG 1123Ca -0.06 1.42 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 3nni s ARG 1123Cb -0.11 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 3nni s ARG 1123CO 0.01 -0.68 -0.17 0.08 0.02 0.00 0.00 175.30 174.57 3nni s VAL 1124N 3.34 1.31 -0.09 3.52 1.01 0.96 -1.96 120.40 128.49 3nni s VAL 1124Ca 0.47 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3nni s VAL 1124Cb -0.17 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3nni s VAL 1124CO 0.09 0.26 -0.19 -0.36 0.00 0.00 0.00 175.10 174.90 3nni s PHE 1125N -0.56 2.64 0.00 5.22 0.08 -0.21 -0.57 117.98 124.58 3nni s PHE 1125Ca 0.05 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.44 3nni s PHE 1125Cb -0.07 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 3nni s PHE 1125CO 0.00 -0.19 0.00 -1.33 -0.10 0.00 0.00 175.22 173.60 3nni n MET 1126N 3.17 0.00 0.01 0.44 2.81 -1.26 -1.39 117.12 120.89 3nni n MET 1126Ca -0.18 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.78 3nni n MET 1126Cb 0.52 0.00 0.32 0.00 -0.71 0.00 0.00 33.22 33.35 3nni n MET 1126CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3nni n LEU 1127N 0.00 0.07 -3.87 4.03 4.77 -1.26 -4.60 117.00 116.15 3nni n LEU 1127Ca 0.00 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 3nni n LEU 1127Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 3nni n LEU 1127CO 0.00 -0.30 -0.08 -1.38 -1.33 0.00 0.00 177.39 174.30 3nni s HIS 1128N -3.04 0.18 -0.13 -1.77 -3.43 -1.26 -4.93 115.29 100.90 3nni s HIS 1128Ca 0.06 -0.60 0.15 0.00 -0.80 0.00 0.00 55.06 53.88 3nni s HIS 1128Cb 0.09 -0.05 0.39 0.00 -1.43 0.00 0.00 32.58 31.57 3nni s HIS 1128CO 0.27 -0.57 1.19 1.04 -2.00 0.00 0.00 174.74 174.66 3nni n GLN 1129N -0.09 1.02 -1.97 -0.38 6.02 -1.26 -4.78 117.38 115.95 3nni n GLN 1129Ca -0.14 -2.73 -0.37 0.00 -0.01 0.00 0.00 57.00 53.75 3nni n GLN 1129Cb 0.63 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 3nni n GLN 1129CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3nni s ASP 1130N -2.73 5.12 0.51 1.08 -1.08 -1.26 -4.85 116.67 113.46 3nni s ASP 1130Ca 0.34 0.37 0.23 0.00 -0.52 0.00 0.00 52.55 52.96 3nni s ASP 1130Cb 0.35 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.51 3nni s ASP 1130CO -0.08 -2.50 1.65 -0.07 0.52 0.00 0.00 175.17 174.69 3nni h LEU 1131N 17.07 0.00 -0.88 -1.34 3.38 -1.98 -0.78 115.31 130.77 3nni h LEU 1131Ca -0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3nni h LEU 1131Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3nni h LEU 1131CO 1.21 0.00 -0.52 0.03 0.09 0.00 0.00 178.44 179.25 3nni h ARG 1132N 0.00 0.10 -2.53 1.13 3.08 -1.94 -3.39 114.38 110.82 3nni h ARG 1132Ca 0.00 -0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.38 3nni h ARG 1132Cb 0.60 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.24 3nni h ARG 1132CO 0.00 0.60 -0.55 1.19 -1.07 0.00 0.00 179.97 180.14 3nni n PHE 1133N -3.93 3.52 -2.50 3.04 3.72 -0.30 -4.73 117.46 116.29 3nni n PHE 1133Ca -0.02 -4.19 -0.37 0.00 -0.05 0.00 0.00 57.45 52.83 3nni n PHE 1133Cb 0.54 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 3nni n PHE 1133CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3nni s PRO 1134N -2.13 4.19 -0.06 -1.08 0.04 -1.26 -4.89 135.00 129.81 3nni s PRO 1134Ca 0.34 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.79 3nni s PRO 1134Cb 0.08 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 3nni s PRO 1134CO -0.07 -0.13 0.53 1.03 0.04 0.00 0.00 177.00 178.40 3nni s ARG 1135N -2.35 4.30 -0.29 4.56 0.52 0.26 -4.81 118.95 121.14 3nni s ARG 1135Ca 0.56 0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 56.11 3nni s ARG 1135Cb -0.24 -3.38 -0.00 0.00 0.52 0.00 0.00 34.95 31.84 3nni s ARG 1135CO 0.31 0.27 0.82 0.42 0.02 0.00 0.00 175.30 177.14 3nni s ILE 1136N 0.20 4.79 -0.13 1.52 -1.09 -1.26 -0.03 121.20 125.20 3nni s ILE 1136Ca 0.28 1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 60.03 3nni s ILE 1136Cb -0.16 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 3nni s ILE 1136CO 0.13 -0.21 -0.12 0.00 -1.23 0.00 0.00 174.94 173.52 3nni s ALA 1137N 2.97 2.68 -0.19 9.38 0.00 0.83 -0.64 121.76 136.79 3nni s ALA 1137Ca 0.34 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 3nni s ALA 1137Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3nni s ALA 1137CO 0.11 0.27 0.36 -0.06 0.00 0.00 0.00 175.76 176.45 3nni s PHE 1138N 0.26 3.40 0.06 0.00 0.08 0.22 -0.14 117.98 121.85 3nni s PHE 1138Ca -0.08 0.60 0.08 0.00 0.12 0.00 0.00 56.93 57.65 3nni s PHE 1138Cb -0.15 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 3nni s PHE 1138CO 0.05 0.06 -0.21 -0.06 -0.10 0.00 0.00 175.22 174.96 3nni s PHE 1139N 1.05 1.86 0.03 0.36 0.08 -0.82 -0.11 117.98 120.43 3nni s PHE 1139Ca 0.18 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 3nni s PHE 1139Cb -0.14 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.15 3nni s PHE 1139CO 0.07 0.13 1.51 -1.54 -0.10 0.00 0.00 175.22 175.28 3nni s SER 1140N -1.37 6.74 0.10 1.36 1.04 -0.39 -0.24 113.70 120.94 3nni s SER 1140Ca 0.08 2.28 0.27 0.00 0.48 0.00 0.00 55.95 59.05 3nni s SER 1140Cb -0.09 -2.56 0.85 0.00 0.10 0.00 0.00 66.02 64.32 3nni s SER 1140CO 0.02 -0.79 1.72 -1.54 0.98 0.00 0.00 173.24 173.63 3nni n SER 1141N 5.41 0.48 -3.43 7.02 3.41 0.83 0.54 113.62 127.87 3nni n SER 1141Ca 0.14 0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 59.06 3nni n SER 1141Cb 0.42 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3nni n SER 1141CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nni s ARG 1142N -3.06 1.91 -0.25 4.33 1.70 -1.25 -4.83 118.95 117.50 3nni s ARG 1142Ca 0.11 -1.15 -0.29 0.00 -0.47 0.00 0.00 55.73 53.94 3nni s ARG 1142Cb 0.15 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 35.10 3nni s ARG 1142CO 0.61 -0.88 1.64 -0.51 -1.08 0.00 0.00 175.30 175.07 3nni s ASP 1143N -3.01 6.29 -0.17 -2.89 -0.00 -1.26 -3.73 116.67 111.90 3nni s ASP 1143Ca 0.14 1.53 -0.13 0.00 -0.00 0.00 0.00 52.55 54.09 3nni s ASP 1143Cb -0.05 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 3nni s ASP 1143CO 0.08 -1.34 0.25 -0.63 -0.00 0.00 0.00 175.17 173.53 3nni s ILE 1144N 5.49 5.33 0.70 0.77 1.01 0.76 -4.96 121.20 130.30 3nni s ILE 1144Ca 0.72 0.45 -0.10 0.00 0.00 0.00 0.00 60.65 61.72 3nni s ILE 1144Cb -0.24 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.67 3nni s ILE 1144CO 0.30 0.40 1.06 -0.13 0.00 0.00 0.00 174.94 176.57 3nni s ARG 1145N 0.48 2.67 0.14 2.79 0.52 -1.26 -0.82 118.95 123.47 3nni s ARG 1145Ca 0.14 0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 3nni s ARG 1145Cb -0.12 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 3nni s ARG 1145CO 0.02 -1.08 1.24 0.99 0.02 0.00 0.00 175.30 176.50 3nni s THR 1146N -3.31 3.60 0.00 0.02 2.01 -1.26 -3.00 115.64 113.70 3nni s THR 1146Ca 0.58 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.84 3nni s THR 1146Cb -0.11 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3nni s THR 1146CO 0.49 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 3nni n GLY 1147N 2.68 2.74 3.72 4.40 0.00 0.36 -4.99 105.19 114.11 3nni n GLY 1147Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3nni n GLY 1147CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nni s GLU 1148N -0.34 4.20 0.10 1.61 2.12 -1.16 -4.62 118.70 120.59 3nni s GLU 1148Ca 0.00 2.42 -0.31 0.00 0.36 0.00 0.00 54.97 57.44 3nni s GLU 1148Cb 0.00 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 3nni s GLU 1148CO 0.00 -0.62 1.23 -2.00 -0.54 0.00 0.00 175.26 173.33 3nni s GLU 1149N 0.86 4.43 0.25 4.30 2.12 -1.26 -2.58 118.70 126.82 3nni s GLU 1149Ca 0.69 1.84 -0.22 0.00 0.36 0.00 0.00 54.97 57.65 3nni s GLU 1149Cb -0.45 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 3nni s GLU 1149CO 0.34 -0.24 0.79 -0.51 -0.54 0.00 0.00 175.26 175.10 3nni s LEU 1150N 0.76 4.34 -0.13 2.70 1.43 -0.10 -4.91 118.68 122.77 3nni s LEU 1150Ca 0.58 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3nni s LEU 1150Cb -0.31 -3.73 0.13 0.00 0.03 0.00 0.00 46.19 42.31 3nni s LEU 1150CO 0.31 -0.00 1.03 -0.83 0.23 0.00 0.00 176.35 177.09 3nni s GLY 1151N -1.65 -0.30 0.14 -3.19 0.00 -1.26 -4.16 107.32 96.90 3nni s GLY 1151Ca 0.45 1.75 0.04 0.00 0.00 0.00 0.00 44.72 46.96 3nni s GLY 1151CO 0.22 0.77 -0.10 -0.11 0.00 0.00 0.00 173.10 173.88 3nni s PHE 1152N -1.85 1.19 -0.34 1.90 -0.12 -1.16 -2.13 117.98 115.48 3nni s PHE 1152Ca 0.03 -0.78 -0.29 0.00 -0.05 0.00 0.00 56.93 55.84 3nni s PHE 1152Cb -0.01 -0.62 -0.00 0.00 -0.63 0.00 0.00 43.02 41.76 3nni s PHE 1152CO -0.03 0.04 1.46 0.34 -0.05 0.00 0.00 175.22 176.98 3nni s ASP 1153N -3.10 6.39 0.54 1.98 -1.08 -1.26 -2.98 116.67 117.16 3nni s ASP 1153Ca 0.15 1.13 0.32 0.00 -0.52 0.00 0.00 52.55 53.63 3nni s ASP 1153Cb 0.03 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.40 3nni s ASP 1153CO -0.00 -1.33 2.03 1.88 0.52 0.00 0.00 175.17 178.26 3nni h TYR 1154N 10.56 0.00 0.00 -5.34 -1.99 -1.93 -3.49 116.97 114.77 3nni h TYR 1154Ca -0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.44 3nni h TYR 1154Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 3nni h TYR 1154CO 0.93 0.07 0.00 0.41 -0.00 0.00 0.00 178.16 179.57 3nni n GLY 1155N -0.25 1.14 0.32 3.88 0.00 -1.26 -4.53 105.19 104.48 3nni n GLY 1155Ca -0.01 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.43 3nni n GLY 1155CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nni h ASP 1156N 0.00 0.37 -0.95 1.61 3.45 -1.99 -2.42 116.42 116.49 3nni h ASP 1156Ca 0.00 -0.00 0.15 0.00 0.43 0.00 0.00 57.03 57.61 3nni h ASP 1156Cb 0.00 -0.09 -0.08 0.00 -0.56 0.00 0.00 39.33 38.60 3nni h ASP 1156CO 0.00 0.25 0.60 0.03 -1.57 0.00 0.00 179.24 178.56 3nni h ARG 1157N 0.43 0.76 0.08 3.56 2.47 -1.99 0.42 114.38 120.11 3nni h ARG 1157Ca 0.17 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3nni h ARG 1157Cb 0.13 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3nni h ARG 1157CO -0.04 0.50 -0.04 0.35 0.56 0.00 0.00 179.97 181.30 3nni h PHE 1158N 0.78 -0.10 0.00 3.04 3.57 -1.67 -3.13 116.94 119.44 3nni h PHE 1158Ca 0.49 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.89 3nni h PHE 1158Cb 0.72 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3nni h PHE 1158CO -0.00 0.35 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.48 3nni h TRP 1159N -0.58 0.00 -0.19 0.41 4.06 -1.38 0.17 115.95 118.43 3nni h TRP 1159Ca -0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 3nni h TRP 1159Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3nni h TRP 1159CO 0.08 0.46 -0.29 -0.44 -3.56 0.00 0.00 178.44 174.68 3nni h ASP 1160N 0.00 0.38 0.40 -3.49 3.32 -0.26 0.15 116.42 116.92 3nni h ASP 1160Ca -0.00 -0.13 -0.32 0.00 0.02 0.00 0.00 57.03 56.60 3nni h ASP 1160Cb 0.83 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3nni h ASP 1160CO 0.06 0.67 -1.57 0.40 -1.72 0.00 0.00 179.24 177.07 3nni h ILE 1161N 0.33 1.11 0.00 0.35 5.03 -1.43 -3.40 117.51 119.51 3nni h ILE 1161Ca 0.05 -2.74 0.00 0.00 -0.12 0.00 0.00 64.86 62.05 3nni h ILE 1161Cb 0.69 2.77 0.00 0.00 -3.03 0.00 0.00 36.82 37.24 3nni h ILE 1161CO 0.05 0.82 -1.42 0.29 -0.68 0.00 0.00 178.15 177.21 3nni n LYS 1162N -3.48 0.55 0.04 2.37 4.76 0.56 -4.38 118.16 118.59 3nni n LYS 1162Ca -0.18 -0.04 0.04 0.00 -2.87 0.00 0.00 58.31 55.26 3nni n LYS 1162Cb 1.05 -1.65 0.44 0.00 -1.84 0.00 0.00 35.03 33.04 3nni n LYS 1162CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 3nni h SER 1163N 0.00 0.40 0.00 4.39 0.02 -0.77 -1.32 113.55 116.27 3nni h SER 1163Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nni h SER 1163Cb 0.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3nni h SER 1163CO 0.00 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.29 3nni n LYS 1164N -4.46 0.49 0.00 3.45 4.01 -1.26 -3.43 118.16 116.96 3nni n LYS 1164Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3nni n LYS 1164Cb 0.09 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 3nni n LYS 1164CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3nni n TYR 1165N -0.98 0.00 -3.49 2.13 4.01 -0.68 -5.13 117.16 113.03 3nni n TYR 1165Ca 0.11 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.70 3nni n TYR 1165Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 3nni n TYR 1165CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 3nni s PHE 1166N -1.67 -0.60 0.33 -0.72 -0.12 -0.58 -5.17 117.98 109.45 3nni s PHE 1166Ca 0.00 0.80 0.08 0.00 -0.05 0.00 0.00 56.93 57.76 3nni s PHE 1166Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3nni s PHE 1166CO 0.00 -0.69 0.19 0.95 -0.05 0.00 0.00 175.22 175.62 3nni s THR 1167N -2.16 3.26 0.31 -4.49 -4.23 -1.26 -3.72 115.64 103.35 3nni s THR 1167Ca -0.06 -1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 3nni s THR 1167Cb -0.00 -3.06 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 3nni s THR 1167CO 0.01 -0.19 1.31 0.00 -0.54 0.00 0.00 174.62 175.20 3nni n GLN 1169N 1.12 1.00 0.24 0.00 1.13 -1.26 -4.36 117.38 115.26 3nni n GLN 1169Ca 0.01 -2.38 0.12 0.00 -1.94 0.00 0.00 57.00 52.81 3nni n GLN 1169Cb 0.42 -1.22 0.74 0.00 0.11 0.00 0.00 30.24 30.29 3nni n GLN 1169CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nni n GLY 1171N -1.47 2.99 3.58 0.00 0.00 -1.26 -5.00 105.19 104.03 3nni n GLY 1171Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3nni n GLY 1171CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3nni n SER 1172N 0.00 0.90 0.23 1.61 2.88 -1.26 -4.91 113.62 113.06 3nni n SER 1172Ca 0.00 1.01 0.10 0.00 -1.33 0.00 0.00 58.87 58.65 3nni n SER 1172Cb 0.00 -1.31 0.55 0.00 -0.75 0.00 0.00 64.21 62.70 3nni n SER 1172CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3nni h GLU 1173N 1.38 0.00 -0.84 -1.46 9.09 -2.03 -2.74 114.58 117.99 3nni h GLU 1173Ca -0.44 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.70 3nni h GLU 1173Cb 1.35 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.29 3nni h GLU 1173CO 0.56 0.21 0.35 0.36 0.05 0.00 0.00 179.01 180.53 3nni n LYS 1174N -3.56 3.20 -1.94 1.06 -0.00 -1.26 -4.99 118.16 110.67 3nni n LYS 1174Ca -0.01 -2.83 -0.43 0.00 -0.00 0.00 0.00 58.31 55.05 3nni n LYS 1174Cb 0.35 -2.14 -0.03 0.00 -0.00 0.00 0.00 35.03 33.22 3nni n LYS 1174CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3nni n LYS 1176N 7.57 1.92 -0.07 0.00 4.01 -1.26 -4.38 118.16 125.95 3nni n LYS 1176Ca 0.20 -1.43 0.01 0.00 -0.51 0.00 0.00 58.31 56.58 3nni n LYS 1176Cb 0.44 -1.47 0.01 0.00 -0.51 0.00 0.00 35.03 33.50 3nni n LYS 1176CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3nni n HIS 1177N 0.70 0.00 -1.75 2.13 -0.00 -1.26 -4.80 115.22 110.25 3nni n HIS 1177Ca 0.15 -0.29 -0.32 0.00 -0.00 0.00 0.00 57.72 57.27 3nni n HIS 1177Cb 0.49 -0.04 0.04 0.00 -0.00 0.00 0.00 29.99 30.47 3nni n HIS 1177CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3nni s SER 1178N -0.79 5.48 0.42 0.41 1.04 -1.26 -2.15 113.70 116.86 3nni s SER 1178Ca 0.03 1.72 0.11 0.00 0.48 0.00 0.00 55.95 58.29 3nni s SER 1178Cb 0.03 -2.51 0.95 0.00 0.10 0.00 0.00 66.02 64.58 3nni s SER 1178CO 0.00 -1.37 2.00 0.00 0.98 0.00 0.00 173.24 174.85 3nni h ALA 1179N -0.26 1.88 -0.40 5.32 0.00 -1.92 -0.67 119.26 123.21 3nni h ALA 1179Ca -0.45 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3nni h ALA 1179Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3nni h ALA 1179CO 0.57 0.02 -0.22 1.05 0.00 0.00 0.00 179.25 180.67 3nni h GLU 1180N 0.49 0.79 -0.09 0.00 9.09 -1.96 -1.74 114.58 121.16 3nni h GLU 1180Ca 0.24 -0.32 -0.21 0.00 0.05 0.00 0.00 59.36 59.12 3nni h GLU 1180Cb 0.32 -0.04 0.01 0.00 -1.65 0.00 0.00 28.75 27.39 3nni h GLU 1180CO -0.07 0.94 -0.81 0.00 0.05 0.00 0.00 179.01 179.12 3nni h ALA 1181N 1.06 0.40 -0.24 1.06 0.00 -1.56 -2.48 119.26 117.50 3nni h ALA 1181Ca 0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3nni h ALA 1181Cb 0.73 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3nni h ALA 1181CO 0.06 0.73 -0.14 0.82 0.00 0.00 0.00 179.25 180.71 3nni h ILE 1182N 0.39 1.31 -0.18 0.00 2.04 -1.15 -2.65 117.51 117.28 3nni h ILE 1182Ca -0.06 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.48 3nni h ILE 1182Cb 1.43 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3nni h ILE 1182CO 0.15 0.39 -0.21 0.00 0.00 0.00 0.00 178.15 178.48 3nni h ALA 1183N 0.71 1.32 0.00 1.87 0.00 -1.38 -2.20 119.26 119.57 3nni h ALA 1183Ca 0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3nni h ALA 1183Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3nni h ALA 1183CO 0.04 0.46 -0.55 1.37 0.00 0.00 0.00 179.25 180.57 3nni h LEU 1184N 0.28 0.00 -0.03 0.00 -0.00 -1.41 -2.16 115.31 111.99 3nni h LEU 1184Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.77 3nni h LEU 1184Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 3nni h LEU 1184CO 0.04 0.55 -0.59 -0.08 -0.00 0.00 0.00 178.44 178.35 3nni h GLU 1185N 0.00 0.46 0.00 0.17 4.57 -1.12 -1.88 114.58 116.79 3nni h GLU 1185Ca -0.01 -0.45 -0.05 0.00 -1.18 0.00 0.00 59.36 57.67 3nni h GLU 1185Cb 1.03 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 3nni h GLU 1185CO 0.07 1.10 -0.24 1.96 -1.18 0.00 0.00 179.01 180.72 3nni h GLN 1186N 0.00 0.00 0.00 1.92 7.50 -1.41 -1.29 115.11 121.83 3nni h GLN 1186Ca -0.06 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.92 3nni h GLN 1186Cb 1.28 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.79 3nni h GLN 1186CO 0.12 0.24 -0.78 0.66 -1.50 0.00 0.00 178.83 177.57 3nni h SER 1187N 0.00 0.00 -0.03 1.46 4.64 -1.39 -3.30 113.55 114.92 3nni h SER 1187Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 3nni h SER 1187Cb 0.50 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3nni h SER 1187CO 0.03 0.78 -0.91 -0.09 -0.87 0.00 0.00 176.83 175.77 3nni h ARG 1188N 0.00 0.72 -0.63 4.77 2.43 -0.64 -3.18 114.38 117.84 3nni h ARG 1188Ca -0.01 -0.68 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 3nni h ARG 1188Cb 1.60 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 3nni h ARG 1188CO 0.10 1.27 0.00 1.28 -1.51 0.00 0.00 179.97 181.11 3nni n LEU 1189N -3.88 0.63 -0.40 3.80 4.77 -0.55 -5.09 117.00 116.27 3nni n LEU 1189Ca -0.09 -0.31 0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3nni n LEU 1189Cb 0.82 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3nni n LEU 1189CO 0.54 0.16 0.41 0.00 -1.33 0.00 0.00 177.39 177.17