#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nni s GLU 919 N 0.00 4.49 0.01 1.09 2.12 -1.26 -4.60 118.70 120.56 3nni s GLU 919 Ca 0.00 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.43 3nni s GLU 919 Cb 0.00 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 3nni s GLU 919 CO 0.00 0.50 -0.02 -1.59 -0.54 0.00 0.00 175.26 173.61 3nni s LYS 920 N -1.44 0.22 -0.49 4.30 0.00 -0.76 -4.96 119.74 116.62 3nni s LYS 920 Ca 0.39 -0.38 -0.26 0.00 0.00 0.00 0.00 55.97 55.72 3nni s LYS 920 Cb -0.21 0.01 0.03 0.00 0.00 0.00 0.00 37.83 37.66 3nni s LYS 920 CO 0.25 -0.02 0.96 0.42 0.00 0.00 0.00 175.35 176.96 3nni s ILE 921 N -0.86 4.41 0.04 3.79 1.01 -1.26 -1.83 121.20 126.50 3nni s ILE 921 Ca -0.09 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 3nni s ILE 921 Cb -0.06 -4.48 -0.33 0.00 0.01 0.00 0.00 42.46 37.60 3nni s ILE 921 CO -0.00 -0.93 1.06 0.40 0.00 0.00 0.00 174.94 175.46 3nni h ILE 922 N 6.09 1.30 -3.62 2.92 2.04 -1.09 -3.46 117.51 121.69 3nni h ILE 922 Ca -0.24 -2.64 -0.30 0.00 1.00 0.00 0.00 64.86 62.68 3nni h ILE 922 Cb 1.07 2.90 -0.32 0.00 -0.74 0.00 0.00 36.82 39.73 3nni h ILE 922 CO 1.05 0.79 -0.74 0.00 0.00 0.00 0.00 178.15 179.26 3nni h ARG 924 N 6.82 0.00 -0.95 0.00 0.11 -1.89 0.36 114.38 118.83 3nni h ARG 924 Ca -0.37 0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.80 3nni h ARG 924 Cb 1.16 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.03 3nni h ARG 924 CO 0.49 0.50 -0.25 0.34 0.10 0.00 0.00 179.97 181.14 3nni s ASP 925 N -6.51 -1.35 0.35 0.08 2.15 -1.26 -3.19 116.67 106.95 3nni s ASP 925 Ca 0.01 0.75 0.27 0.00 0.43 0.00 0.00 52.55 54.01 3nni s ASP 925 Cb 0.10 2.09 1.06 0.00 -0.30 0.00 0.00 42.92 45.88 3nni s ASP 925 CO 0.72 -0.25 1.80 -0.37 -0.17 0.00 0.00 175.17 176.90 3nni h VAL 926 N 5.94 0.00 -0.02 1.11 -1.51 -1.18 -2.95 116.25 117.65 3nni h VAL 926 Ca -0.20 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3nni h VAL 926 Cb 1.16 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3nni h VAL 926 CO 0.22 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 176.42 3nni n ALA 927 N -1.88 2.84 -4.21 5.19 0.00 -1.26 -4.80 120.51 116.39 3nni n ALA 927 Ca 0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 3nni n ALA 927 Cb 0.28 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 0.09 -2.85 -0.97 0.00 1.74 -1.12 -1.46 116.66 112.10 3nni n ARG 928 Ca 0.15 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3nni n ARG 928 Cb 0.41 -4.85 0.00 0.00 -1.02 0.00 0.00 32.46 26.99 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 -1.57 0.63 0.17 -0.13 0.00 -1.26 -4.92 105.19 98.11 3nni n GLY 929 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.57 1.61 -1.99 -1.63 -3.46 116.97 108.93 3nni h TYR 930 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 3nni h TYR 930 Cb 0.07 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.84 3nni h TYR 930 CO 0.05 0.45 -0.08 -1.21 -0.00 0.00 0.00 178.16 177.37 3nni s GLU 931 N -3.49 2.82 0.39 4.88 0.41 -1.26 -4.96 118.70 117.49 3nni s GLU 931 Ca 0.00 -0.66 0.11 0.00 -0.41 0.00 0.00 54.97 54.02 3nni s GLU 931 Cb 0.11 -2.54 0.81 0.00 -1.78 0.00 0.00 34.13 30.73 3nni s GLU 931 CO 0.71 -0.47 1.91 -0.91 -0.49 0.00 0.00 175.26 176.01 3nni h ASN 932 N 0.27 0.12 -4.25 -0.19 2.35 -1.88 -3.43 115.58 108.55 3nni h ASN 932 Ca -0.44 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 54.71 3nni h ASN 932 Cb 1.27 -0.03 -0.25 0.00 0.05 0.00 0.00 38.32 39.37 3nni h ASN 932 CO 0.54 0.34 -0.84 0.68 -1.65 0.00 0.00 177.43 176.51 3nni s VAL 933 N -4.56 1.68 0.41 2.81 -7.23 -1.26 -5.09 120.40 107.15 3nni s VAL 933 Ca -0.04 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 3nni s VAL 933 Cb 0.15 -1.47 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 3nni s VAL 933 CO 0.72 0.13 1.20 -2.16 -0.31 0.00 0.00 175.10 174.69 3nni s PRO 934 N -1.37 3.99 -0.60 4.82 0.04 -1.26 -4.98 135.00 135.64 3nni s PRO 934 Ca 0.07 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.02 3nni s PRO 934 Cb -0.09 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 31.94 3nni s PRO 934 CO 0.02 -0.39 0.38 0.42 0.04 0.00 0.00 177.00 177.48 3nni s ILE 935 N -1.39 3.28 0.82 0.56 1.01 -1.26 -4.75 121.20 119.47 3nni s ILE 935 Ca 0.58 -3.17 -0.11 0.00 0.00 0.00 0.00 60.65 57.95 3nni s ILE 935 Cb -0.32 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.05 3nni s ILE 935 CO 0.41 -0.86 1.09 -2.16 0.00 0.00 0.00 174.94 173.42 3nni s PRO 936 N -0.24 1.92 -0.12 2.79 0.04 -1.19 -0.65 135.00 137.55 3nni s PRO 936 Ca 0.18 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.94 3nni s PRO 936 Cb -0.22 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3nni s PRO 936 CO -0.02 -1.75 -0.20 0.00 0.04 0.00 0.00 177.00 175.07 3nni s VAL 938 N 0.78 1.54 -0.12 0.00 -7.23 -0.55 -0.41 120.40 114.43 3nni s VAL 938 Ca -0.09 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 3nni s VAL 938 Cb -0.16 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.03 3nni s VAL 938 CO -0.00 -0.50 0.25 0.21 -0.31 0.00 0.00 175.10 174.75 3nni s ASN 939 N -2.88 -0.02 -0.02 4.85 3.84 -0.76 -2.85 114.94 117.10 3nni s ASN 939 Ca 0.16 0.56 0.08 0.00 0.21 0.00 0.00 52.86 53.87 3nni s ASN 939 Cb -0.03 0.53 0.14 0.00 -0.55 0.00 0.00 41.25 41.34 3nni s ASN 939 CO 0.05 -0.20 1.06 0.61 -2.79 0.00 0.00 177.10 175.83 3nni n GLY 940 N 4.68 1.16 0.68 1.21 0.00 -1.26 -1.83 105.19 109.82 3nni n GLY 940 Ca -0.18 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.05 0.61 -3.75 1.61 0.31 -1.26 -4.73 118.33 111.07 3nni n VAL 941 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3nni n VAL 941 Cb 0.80 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.49 0.00 -1.29 4.52 5.68 -1.26 -5.07 116.55 115.65 3nni n ASP 942 Ca -0.20 -0.95 0.08 0.00 -0.50 0.00 0.00 54.79 53.23 3nni n ASP 942 Cb 0.62 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.89 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 0.00 2.12 3.68 6.12 0.00 -1.26 -4.96 105.19 110.89 3nni n GLY 943 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3nni n GLY 943 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nni s GLU 944 N -1.67 4.22 0.96 1.61 2.56 -1.26 -5.03 118.70 120.09 3nni s GLU 944 Ca 0.41 2.17 -0.16 0.00 0.00 0.00 0.00 54.97 57.39 3nni s GLU 944 Cb 0.25 -3.69 0.22 0.00 2.00 0.00 0.00 34.13 32.92 3nni s GLU 944 CO 0.21 -0.71 1.21 -0.35 -0.56 0.00 0.00 175.26 175.07 3nni n PRO 945 N 5.93 -1.53 -1.73 4.30 -0.04 -1.26 -4.96 135.00 135.71 3nni n PRO 945 Ca 0.15 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 61.31 3nni n PRO 945 Cb 0.42 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3nni n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3nni n PRO 947 N 3.90 2.62 -0.72 0.00 -0.02 -1.26 -4.94 135.00 134.58 3nni n PRO 947 Ca 0.16 0.92 0.01 0.00 -2.02 0.00 0.00 63.50 62.57 3nni n PRO 947 Cb 0.35 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.20 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 0.43 0.05 0.00 -0.52 1.02 -1.26 -4.85 120.64 115.51 3nni n GLU 948 Ca 0.02 -1.30 0.14 0.00 -0.02 0.00 0.00 57.16 56.00 3nni n GLU 948 Cb 0.39 -0.42 0.60 0.00 -0.02 0.00 0.00 31.44 31.98 3nni n GLU 948 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3nni n ASP 949 N 0.07 0.75 -4.20 1.62 -0.08 -1.26 -4.90 116.55 108.54 3nni n ASP 949 Ca 0.02 -0.91 -0.23 0.00 -1.51 0.00 0.00 54.79 52.16 3nni n ASP 949 Cb 0.80 -0.01 -0.09 0.00 2.34 0.00 0.00 41.12 44.16 3nni n ASP 949 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3nni s TYR 950 N -2.30 1.78 -0.19 -0.67 -0.85 -1.26 -4.79 117.35 109.07 3nni s TYR 950 Ca 0.33 -1.21 -0.00 0.00 -0.52 0.00 0.00 57.07 55.67 3nni s TYR 950 Cb 0.20 -1.12 0.01 0.00 0.38 0.00 0.00 41.96 41.44 3nni s TYR 950 CO 0.43 -0.26 -0.15 0.21 -1.52 0.00 0.00 175.55 174.26 3nni s LYS 951 N -3.80 3.11 0.06 -3.49 2.47 0.01 -4.99 119.74 113.10 3nni s LYS 951 Ca 0.30 -0.77 -0.31 0.00 -1.56 0.00 0.00 55.97 53.64 3nni s LYS 951 Cb 0.05 -2.70 -0.07 0.00 -1.46 0.00 0.00 37.83 33.65 3nni s LYS 951 CO 0.15 -0.20 1.39 -0.47 0.16 0.00 0.00 175.35 176.38 3nni s TYR 952 N 1.34 3.05 -0.02 4.03 5.04 -1.25 -1.86 117.35 127.67 3nni s TYR 952 Ca 0.05 0.89 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 3nni s TYR 952 Cb -0.13 -3.67 0.01 0.00 0.35 0.00 0.00 41.96 38.52 3nni s TYR 952 CO -0.10 -2.40 -0.06 0.96 -1.34 0.00 0.00 175.55 172.62 3nni s ILE 953 N 1.74 0.52 -0.10 3.14 -4.36 -0.72 -4.91 121.20 116.51 3nni s ILE 953 Ca 0.64 -0.20 0.14 0.00 -0.26 0.00 0.00 60.65 60.97 3nni s ILE 953 Cb -0.34 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 3nni s ILE 953 CO 0.29 0.18 1.28 0.77 0.24 0.00 0.00 174.94 177.70 3nni h SER 954 N 6.53 0.00 -4.19 4.36 4.64 -1.93 -3.30 113.55 119.66 3nni h SER 954 Ca -0.34 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.55 3nni h SER 954 Cb 1.17 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 3nni h SER 954 CO 0.49 0.62 -0.77 -1.61 -0.87 0.00 0.00 176.83 174.69 3nni s GLU 955 N -2.90 0.97 0.54 4.77 2.02 -1.26 -4.94 118.70 117.91 3nni s GLU 955 Ca 0.02 -1.15 -0.20 0.00 0.02 0.00 0.00 54.97 53.66 3nni s GLU 955 Cb 0.08 -0.93 -0.07 0.00 0.10 0.00 0.00 34.13 33.31 3nni s GLU 955 CO 0.77 0.19 0.95 0.09 0.02 0.00 0.00 175.26 177.28 3nni n ASN 956 N 0.81 0.80 -4.54 -0.19 3.02 -1.26 -4.84 115.26 109.05 3nni n ASN 956 Ca -0.18 0.87 -0.25 0.00 -0.03 0.00 0.00 54.58 54.99 3nni n ASN 956 Cb 0.56 -1.36 -0.11 0.00 -0.61 0.00 0.00 39.78 38.26 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 -3.76 1.52 0.00 0.00 2.02 -1.26 -1.84 118.70 115.37 3nni s GLU 958 Ca 0.35 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.83 3nni s GLU 958 Cb 0.09 -1.38 0.07 0.00 0.10 0.00 0.00 34.13 33.00 3nni s GLU 958 CO 0.17 0.28 0.78 0.25 0.02 0.00 0.00 175.26 176.75 3nni n THR 959 N 2.95 0.17 -3.51 3.63 -2.24 -1.26 -5.01 114.28 109.01 3nni n THR 959 Ca -0.17 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 3nni n THR 959 Cb 0.54 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.61 -0.49 0.02 3.42 1.04 -1.26 -5.14 113.70 110.67 3nni s SER 960 Ca 0.08 0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 3nni s SER 960 Cb 0.06 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.55 3nni s SER 960 CO 0.08 -0.63 1.93 -0.89 0.98 0.00 0.00 173.24 174.70 3nni s THR 961 N -2.28 3.10 -1.00 2.02 2.01 -1.26 -4.90 115.64 113.33 3nni s THR 961 Ca -0.02 0.12 0.17 0.00 0.31 0.00 0.00 61.69 62.27 3nni s THR 961 Cb -0.01 -3.08 -0.13 0.00 0.01 0.00 0.00 72.50 69.29 3nni s THR 961 CO -0.02 -0.01 0.76 0.23 -0.69 0.00 0.00 174.62 174.88 3nni n MET 962 N 7.50 1.56 -3.93 4.92 2.81 -1.26 -5.03 117.12 123.70 3nni n MET 962 Ca 0.20 -0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.52 3nni n MET 962 Cb 0.41 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3nni n MET 962 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3nni n ASN 963 N -1.04 -2.79 -4.76 7.83 5.15 -1.26 -4.93 115.26 113.45 3nni n ASN 963 Ca 0.04 -1.11 -0.41 0.00 -0.60 0.00 0.00 54.58 52.51 3nni n ASN 963 Cb 0.29 -2.69 -0.03 0.00 -0.53 0.00 0.00 39.78 36.82 3nni n ASN 963 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3nni s ILE 964 N -3.74 2.93 -0.85 -1.44 1.01 -1.26 -4.94 121.20 112.91 3nni s ILE 964 Ca 0.28 0.89 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 3nni s ILE 964 Cb -0.12 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.81 3nni s ILE 964 CO 0.91 0.19 1.41 -0.62 0.00 0.00 0.00 174.94 176.84 3nni s ASP 965 N -0.32 6.19 0.00 3.58 2.15 -1.26 -4.79 116.67 122.22 3nni s ASP 965 Ca 0.50 -0.80 0.23 0.00 0.43 0.00 0.00 52.55 52.92 3nni s ASP 965 Cb -0.38 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 39.75 3nni s ASP 965 CO 0.47 -1.79 1.15 0.54 -0.17 0.00 0.00 175.17 175.38 3nni n ARG 966 N 9.15 1.68 -1.61 4.34 1.74 -1.26 -4.32 116.66 126.39 3nni n ARG 966 Ca 0.17 -1.39 -0.48 0.00 -0.77 0.00 0.00 57.85 55.38 3nni n ARG 966 Cb 0.50 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 3nni n ARG 966 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3nni n ASN 967 N 0.55 3.09 -0.00 0.55 2.85 -1.26 -4.89 115.26 116.15 3nni n ASN 967 Ca 0.11 0.71 0.05 0.00 -0.11 0.00 0.00 54.58 55.34 3nni n ASN 967 Cb 0.52 -1.37 0.44 0.00 1.24 0.00 0.00 39.78 40.61 3nni n ASN 967 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3nni h ILE 968 N 6.14 1.08 0.00 -1.44 2.10 -1.95 -2.16 117.51 121.29 3nni h ILE 968 Ca -0.42 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.33 3nni h ILE 968 Cb 1.28 0.51 -0.00 0.00 -1.09 0.00 0.00 36.82 37.52 3nni h ILE 968 CO 0.97 0.10 -0.05 0.71 -1.08 0.00 0.00 178.15 178.79 3nni h THR 969 N 0.52 0.14 -0.00 2.19 1.35 -2.02 -2.61 112.91 112.48 3nni h THR 969 Ca 0.16 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3nni h THR 969 Cb 0.01 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3nni h THR 969 CO -0.04 0.05 -0.09 1.41 -0.25 0.00 0.00 175.52 176.61 3nni n HIS 970 N -3.17 0.00 -2.69 4.73 8.25 -0.81 -4.85 115.22 116.68 3nni n HIS 970 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3nni n HIS 970 Cb 0.35 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 3nni n HIS 970 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3nni s LEU 971 N -2.60 4.36 -0.31 2.41 1.43 -0.98 -4.94 118.68 118.04 3nni s LEU 971 Ca 0.26 1.67 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 3nni s LEU 971 Cb 0.20 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 3nni s LEU 971 CO 0.49 -0.29 0.72 -1.10 0.23 0.00 0.00 176.35 176.40 3nni s GLN 972 N 1.10 3.91 0.39 1.70 -0.21 -1.26 -5.04 119.66 120.25 3nni s GLN 972 Ca 0.52 0.43 0.04 0.00 0.02 0.00 0.00 55.36 56.38 3nni s GLN 972 Cb -0.21 -3.74 -0.05 0.00 1.00 0.00 0.00 33.01 30.01 3nni s GLN 972 CO 0.27 -0.66 0.05 -3.38 -2.12 0.00 0.00 175.29 169.45 3nni s HIS 973 N 2.83 2.06 0.20 0.91 -3.43 -1.26 -4.88 115.29 111.73 3nni s HIS 973 Ca 0.29 -0.94 0.05 0.00 -0.80 0.00 0.00 55.06 53.66 3nni s HIS 973 Cb -0.14 -1.44 -0.03 0.00 -1.43 0.00 0.00 32.58 29.53 3nni s HIS 973 CO 0.13 0.10 0.25 0.00 -2.00 0.00 0.00 174.74 173.22 3nni n THR 975 N -0.88 2.99 -3.36 0.00 -2.24 -1.26 -2.72 114.28 106.82 3nni n THR 975 Ca -0.08 -4.16 -0.37 0.00 -2.27 0.00 0.00 64.05 57.17 3nni n THR 975 Cb 0.56 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.52 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 1.34 0.16 -1.44 0.00 0.24 -1.26 -3.28 118.33 114.09 3nni n VAL 977 Ca -0.09 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 3nni n VAL 977 Cb 0.51 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.01 0.02 -1.68 -1.34 3.85 -1.26 -5.01 116.55 111.11 3nni n ASP 978 Ca 0.01 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 54.15 3nni n ASP 978 Cb 0.06 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.18 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 5.01 -3.12 -1.12 5.75 -1.26 -4.73 116.55 117.08 3nni n ASP 979 Ca 0.00 -2.75 -0.15 0.00 -0.01 0.00 0.00 54.79 51.88 3nni n ASP 979 Cb 0.00 -0.65 0.08 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.86 0.19 -4.76 0.00 7.64 -1.26 -4.68 113.62 107.89 3nni n SER 981 Ca -0.25 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.31 3nni n SER 981 Cb 0.65 1.32 0.08 0.00 -1.01 0.00 0.00 64.21 65.25 3nni n SER 981 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3nni s SER 982 N -5.06 4.62 0.15 6.43 1.04 -1.26 -4.95 113.70 114.66 3nni s SER 982 Ca -0.09 1.99 0.20 0.00 0.48 0.00 0.00 55.95 58.53 3nni s SER 982 Cb 0.08 -2.55 0.84 0.00 0.10 0.00 0.00 66.02 64.50 3nni s SER 982 CO 0.83 -1.96 1.62 -0.24 0.98 0.00 0.00 173.24 174.47 3nni n SER 983 N -2.99 0.39 -0.16 7.02 2.88 -1.26 -3.01 113.62 116.49 3nni n SER 983 Ca 0.10 0.59 0.15 0.00 -1.33 0.00 0.00 58.87 58.38 3nni n SER 983 Cb 0.52 -0.67 0.68 0.00 -0.75 0.00 0.00 64.21 63.99 3nni n SER 983 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3nni n ASN 984 N -1.92 0.56 -4.58 -3.46 3.02 -1.26 -4.79 115.26 102.83 3nni n ASN 984 Ca 0.03 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 3nni n ASN 984 Cb 0.22 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3nni n ASN 984 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nni h LEU 986 N 14.17 0.63 -0.88 0.00 5.85 -1.88 -0.26 115.31 132.95 3nni h LEU 986 Ca -0.29 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 3nni h LEU 986 Cb 1.14 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3nni h LEU 986 CO 1.14 0.13 -0.02 0.00 -0.34 0.00 0.00 178.44 179.35 3nni h GLY 988 N 0.98 0.81 1.38 0.00 0.00 -1.32 -3.17 103.07 101.75 3nni h GLY 988 Ca 0.14 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 3nni h GLY 988 CO 0.02 0.86 -0.02 1.46 0.00 0.00 0.00 176.54 178.87 3nni h GLN 989 N 0.56 0.75 0.00 4.80 4.20 -0.81 -1.32 115.11 123.29 3nni h GLN 989 Ca 0.01 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3nni h GLN 989 Cb 1.15 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3nni h GLN 989 CO 0.12 0.78 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.89 3nni h LEU 990 N 0.70 0.00 -3.55 1.46 3.38 -0.89 -1.50 115.31 114.92 3nni h LEU 990 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3nni h LEU 990 Cb 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 3nni h LEU 990 CO 0.02 0.10 0.14 -1.20 0.09 0.00 0.00 178.44 177.58 3nni n SER 991 N -3.46 4.29 0.00 -0.43 7.64 -0.95 -4.82 113.62 115.90 3nni n SER 991 Ca -0.01 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.62 3nni n SER 991 Cb 0.25 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.36 0.00 -3.47 0.44 -0.00 -0.56 -4.68 119.36 110.73 3nni n ILE 992 Ca 0.34 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.95 3nni n ILE 992 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.80 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 1.18 -0.19 6.28 3.03 -0.54 -4.48 118.95 124.22 3nni s ARG 993 Ca 0.00 -0.14 -0.29 0.00 2.03 0.00 0.00 55.73 57.32 3nni s ARG 993 Cb 0.00 0.55 -0.01 0.00 -1.03 0.00 0.00 34.95 34.46 3nni s ARG 993 CO 0.00 -0.46 1.26 0.00 -1.13 0.00 0.00 175.30 174.97 3nni n TRP 995 N 6.79 0.00 -3.33 0.00 7.02 -1.26 -4.91 117.44 121.75 3nni n TRP 995 Ca 0.14 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.25 3nni n TRP 995 Cb 0.45 -0.05 -0.06 0.00 -2.42 0.00 0.00 31.31 29.23 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 -2.16 3.71 0.08 -5.99 2.02 -1.26 -0.88 117.35 112.87 3nni s TYR 996 Ca 0.36 1.15 -0.01 0.00 -0.37 0.00 0.00 57.07 58.21 3nni s TYR 996 Cb 0.21 -2.42 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3nni s TYR 996 CO 0.39 0.52 0.11 -0.40 -1.57 0.00 0.00 175.55 174.60 3nni n ASP 997 N 1.30 0.08 0.29 2.29 5.75 -0.43 -4.89 116.55 120.94 3nni n ASP 997 Ca -0.08 -1.08 0.17 0.00 -0.01 0.00 0.00 54.79 53.78 3nni n ASP 997 Cb 0.51 -0.08 0.89 0.00 -1.03 0.00 0.00 41.12 41.41 3nni n ASP 997 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 3nni h LYS 998 N 0.00 0.00 -0.16 0.11 5.09 -1.96 -2.57 116.57 117.08 3nni h LYS 998 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 3nni h LYS 998 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 3nni h LYS 998 CO 0.03 0.05 0.00 -0.25 -2.09 0.00 0.00 179.45 177.19 3nni n ASP 999 N -3.34 3.01 0.00 7.07 9.92 -1.26 -4.99 116.55 126.97 3nni n ASP 999 Ca -0.02 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 3nni n ASP 999 Cb 0.19 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 3nni n ASP 999 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3nni n GLY 1000N 1.27 0.78 3.83 0.44 0.00 -0.97 -5.05 105.19 105.49 3nni n GLY 1000Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 4.12 0.51 1.61 0.52 -1.26 -4.67 118.95 119.58 3nni s ARG 1001Ca 0.00 0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 55.67 3nni s ARG 1001Cb 0.00 -2.89 -0.06 0.00 0.52 0.00 0.00 34.95 32.52 3nni s ARG 1001CO 0.00 0.43 1.30 -0.51 0.02 0.00 0.00 175.30 176.54 3nni s LEU 1002N -1.99 3.93 0.73 2.53 1.43 0.55 -1.31 118.68 124.54 3nni s LEU 1002Ca 0.41 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 56.00 3nni s LEU 1002Cb -0.16 -4.23 0.04 0.00 0.03 0.00 0.00 46.19 41.87 3nni s LEU 1002CO 0.20 -1.31 1.13 -1.48 0.23 0.00 0.00 176.35 175.12 3nni s LEU 1003N -3.28 3.22 0.36 1.79 0.05 -0.06 -4.48 118.68 116.29 3nni s LEU 1003Ca 0.68 2.06 0.11 0.00 0.05 0.00 0.00 54.13 57.03 3nni s LEU 1003Cb -0.37 -4.55 0.67 0.00 -2.05 0.00 0.00 46.19 39.89 3nni s LEU 1003CO 0.44 -2.04 1.81 1.56 -0.55 0.00 0.00 176.35 177.57 3nni h GLN 1004N -0.54 0.09 0.00 1.48 1.08 -1.95 -2.78 115.11 112.49 3nni h GLN 1004Ca -0.46 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3nni h GLN 1004Cb 1.26 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 3nni h GLN 1004CO 0.51 0.42 0.00 -0.85 -0.95 0.00 0.00 178.83 177.96 3nni n GLU 1005N -4.11 0.88 -2.11 1.46 0.28 -1.26 -4.87 120.64 110.90 3nni n GLU 1005Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.57 3nni n GLU 1005Cb 0.40 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 3nni n GLU 1005CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3nni s PHE 1006N -2.00 3.18 -0.28 -1.84 5.36 -1.05 -4.96 117.98 116.39 3nni s PHE 1006Ca 0.41 0.96 -0.29 0.00 -0.96 0.00 0.00 56.93 57.05 3nni s PHE 1006Cb 0.19 -3.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 3nni s PHE 1006CO 0.32 -2.52 1.57 1.21 -1.46 0.00 0.00 175.22 174.35 3nni s ASN 1007N 0.85 6.32 0.14 6.13 2.47 -1.26 -4.90 114.94 124.69 3nni s ASN 1007Ca 0.63 1.38 0.17 0.00 0.42 0.00 0.00 52.86 55.46 3nni s ASN 1007Cb -0.39 -2.53 -0.07 0.00 -1.45 0.00 0.00 41.25 36.81 3nni s ASN 1007CO 0.34 -1.34 1.02 0.11 -3.72 0.00 0.00 177.10 173.50 3nni h LYS 1008N 10.92 0.00 0.00 0.43 6.56 -1.96 -3.20 116.57 129.32 3nni h LYS 1008Ca -0.32 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.27 3nni h LYS 1008Cb 1.14 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.80 3nni h LYS 1008CO 1.02 0.32 -0.02 0.82 -2.06 0.00 0.00 179.45 179.53 3nni h ILE 1009N 0.00 0.76 -3.03 1.86 5.03 -2.02 -3.42 117.51 116.70 3nni h ILE 1009Ca -0.10 -1.58 -0.63 0.00 -0.12 0.00 0.00 64.86 62.43 3nni h ILE 1009Cb 1.47 1.44 -0.41 0.00 -3.03 0.00 0.00 36.82 36.30 3nni h ILE 1009CO 0.05 0.26 -0.50 -1.84 -0.68 0.00 0.00 178.15 175.43 3nni n GLU 1010N -4.70 2.03 -2.44 2.37 0.28 -1.26 -5.12 120.64 111.80 3nni n GLU 1010Ca -0.05 -4.51 -0.36 0.00 -0.16 0.00 0.00 57.16 52.08 3nni n GLU 1010Cb 0.21 -2.30 -0.03 0.00 1.43 0.00 0.00 31.44 30.75 3nni n GLU 1010CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3nni s PRO 1011N -1.57 3.95 0.70 3.44 0.04 -1.21 -4.80 135.00 135.54 3nni s PRO 1011Ca 0.27 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 3nni s PRO 1011Cb -0.03 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.14 3nni s PRO 1011CO -0.15 -0.34 1.05 -1.25 0.04 0.00 0.00 177.00 176.35 3nni s PRO 1012N -2.70 2.57 0.20 0.56 0.04 -1.26 -4.93 135.00 129.48 3nni s PRO 1012Ca 0.62 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 3nni s PRO 1012Cb -0.23 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3nni s PRO 1012CO 0.29 -1.10 1.18 -0.51 0.04 0.00 0.00 177.00 176.89 3nni s LEU 1013N -5.29 4.47 -0.23 -3.56 1.02 -1.26 -4.62 118.68 109.21 3nni s LEU 1013Ca 0.58 2.24 -0.09 0.00 0.02 0.00 0.00 54.13 56.88 3nni s LEU 1013Cb -0.11 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 3nni s LEU 1013CO 0.48 -0.33 0.11 -0.63 0.02 0.00 0.00 176.35 176.00 3nni s ILE 1014N -0.26 4.91 -0.59 -0.59 1.01 -0.54 -4.41 121.20 120.73 3nni s ILE 1014Ca 0.51 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 3nni s ILE 1014Cb -0.32 -3.28 0.15 0.00 0.01 0.00 0.00 42.46 39.02 3nni s ILE 1014CO 0.38 0.37 0.47 -0.36 0.00 0.00 0.00 174.94 175.79 3nni s PHE 1015N 1.09 3.50 0.72 3.97 0.08 -1.26 -0.43 117.98 125.64 3nni s PHE 1015Ca 0.06 -2.13 -0.11 0.00 0.12 0.00 0.00 56.93 54.87 3nni s PHE 1015Cb -0.14 -3.49 0.02 0.00 -0.57 0.00 0.00 43.02 38.84 3nni s PHE 1015CO 0.04 -0.95 1.07 -1.21 -0.10 0.00 0.00 175.22 174.07 3nni s GLU 1016N 0.70 2.72 0.45 0.44 2.02 -0.70 -4.45 118.70 119.89 3nni s GLU 1016Ca 0.11 0.76 -0.25 0.00 0.02 0.00 0.00 54.97 55.62 3nni s GLU 1016Cb -0.21 -1.98 -0.08 0.00 0.10 0.00 0.00 34.13 31.96 3nni s GLU 1016CO -0.03 -1.20 1.30 0.00 0.02 0.00 0.00 175.26 175.35 3nni n ASN 1018N -0.22 3.30 0.15 0.00 0.23 -1.26 -4.84 115.26 112.62 3nni n ASN 1018Ca 0.06 -3.06 0.12 0.00 -0.53 0.00 0.00 54.58 51.17 3nni n ASN 1018Cb 0.44 0.33 0.54 0.00 -2.08 0.00 0.00 39.78 39.01 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 -1.17 0.18 0.04 -3.83 0.00 -1.26 -2.18 117.38 109.16 3nni n GLN 1019Ca -0.20 0.51 0.12 0.00 0.00 0.00 0.00 57.00 57.43 3nni n GLN 1019Cb 0.59 -1.92 0.17 0.00 0.00 0.00 0.00 30.24 29.09 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 -1.79 3.17 -1.71 2.61 0.00 -1.26 -4.93 120.51 116.60 3nni n ALA 1020Ca 0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 3nni n ALA 1020Cb 0.16 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.63 0.78 -4.45 0.00 3.41 -1.10 -4.91 113.62 105.72 3nni n SER 1022Ca 0.13 0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 58.96 3nni n SER 1022Cb 0.50 -0.68 0.18 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.19 3.38 -0.06 0.00 0.52 -1.26 -5.00 118.94 113.33 3nni s TRP 1024Ca 0.67 0.88 0.31 0.00 0.02 0.00 0.00 56.10 57.98 3nni s TRP 1024Cb -0.14 -2.77 1.33 0.00 -1.15 0.00 0.00 33.47 30.75 3nni s TRP 1024CO 0.55 -0.83 1.91 -0.09 0.02 0.00 0.00 176.95 178.51 3nni h ARG 1025N -0.28 0.00 -0.62 4.98 9.65 -1.98 -3.09 114.38 123.03 3nni h ARG 1025Ca -0.45 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.17 3nni h ARG 1025Cb 1.24 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.66 3nni h ARG 1025CO 0.62 0.00 0.23 0.27 2.80 0.00 0.00 179.97 183.89 3nni n ASN 1026N -2.75 3.65 -4.71 -3.80 6.94 -1.26 -4.94 115.26 108.39 3nni n ASN 1026Ca 0.01 -3.48 -0.29 0.00 -0.02 0.00 0.00 54.58 50.79 3nni n ASN 1026Cb 0.24 -0.71 0.16 0.00 -2.36 0.00 0.00 39.78 37.11 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 -4.01 0.09 -2.44 0.00 4.01 0.04 -3.76 118.16 112.09 3nni n LYS 1028Ca 0.06 0.18 -0.31 0.00 -0.51 0.00 0.00 58.31 57.74 3nni n LYS 1028Cb 0.57 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.60 3nni n LYS 1028CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3nni n ASN 1029N -1.42 5.45 -2.78 4.39 5.15 -1.26 -4.69 115.26 120.09 3nni n ASN 1029Ca 0.05 -3.74 -0.01 0.00 -0.60 0.00 0.00 54.58 50.28 3nni n ASN 1029Cb 0.17 -0.65 0.07 0.00 -0.53 0.00 0.00 39.78 38.84 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 -0.43 1.58 0.16 1.20 1.74 -1.25 -0.61 116.66 119.06 3nni n ARG 1030Ca 0.41 -2.89 -0.07 0.00 -0.77 0.00 0.00 57.85 54.53 3nni n ARG 1030Cb 0.50 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.86 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 4.90 0.00 -0.85 1.55 2.07 -1.88 -3.22 116.25 118.83 3nni h VAL 1031Ca -0.21 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3nni h VAL 1031Cb 1.27 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3nni h VAL 1031CO 0.11 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.79 3nni h VAL 1032N -1.06 1.24 0.00 2.57 2.07 -1.95 -2.69 116.25 116.43 3nni h VAL 1032Ca -0.05 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3nni h VAL 1032Cb 0.37 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3nni h VAL 1032CO 0.08 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.92 3nni n GLN 1033N -4.43 0.09 -0.14 1.57 10.64 -1.26 -2.62 117.38 121.23 3nni n GLN 1033Ca 0.09 0.36 0.09 0.00 -1.83 0.00 0.00 57.00 55.71 3nni n GLN 1033Cb 0.06 -1.69 0.28 0.00 -0.86 0.00 0.00 30.24 28.03 3nni n GLN 1033CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3nni n SER 1034N -1.87 2.08 -0.76 2.61 7.64 -1.01 -5.05 113.62 117.25 3nni n SER 1034Ca 0.02 -1.85 0.07 0.00 1.01 0.00 0.00 58.87 58.12 3nni n SER 1034Cb 0.18 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.18 -1.80 3.71 0.23 0.00 -1.08 -4.87 105.19 102.57 3nni n GLY 1035Ca 0.16 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3nni n GLY 1035CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nni s ILE 1036N -1.06 2.28 -0.03 -0.61 1.09 -1.26 -4.93 121.20 116.68 3nni s ILE 1036Ca 0.00 0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.66 3nni s ILE 1036Cb 0.00 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.31 3nni s ILE 1036CO 0.00 0.00 0.01 0.29 -0.10 0.00 0.00 174.94 175.14 3nni n LYS 1037N 4.56 3.16 -2.01 2.79 4.76 -1.26 -4.37 118.16 125.78 3nni n LYS 1037Ca 0.16 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.28 3nni n LYS 1037Cb 0.37 -1.07 0.01 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.07 4.13 -0.26 -0.18 -7.23 -1.26 -5.00 120.40 108.52 3nni s VAL 1038Ca -0.02 0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 60.88 3nni s VAL 1038Cb 0.01 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 3nni s VAL 1038CO 0.12 -0.69 0.51 -0.13 -0.31 0.00 0.00 175.10 174.59 3nni s ARG 1039N -4.40 4.06 0.18 4.82 1.81 -1.26 -4.95 118.95 119.20 3nni s ARG 1039Ca 0.60 0.30 0.11 0.00 -1.72 0.00 0.00 55.73 55.02 3nni s ARG 1039Cb -0.14 -3.65 -0.04 0.00 -0.45 0.00 0.00 34.95 30.67 3nni s ARG 1039CO 0.41 -0.35 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.93 3nni s LEU 1040N 2.30 2.41 -0.01 2.53 1.43 -1.26 -1.53 118.68 124.54 3nni s LEU 1040Ca 0.21 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3nni s LEU 1040Cb -0.16 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.94 3nni s LEU 1040CO 0.09 0.12 0.00 -1.58 0.23 0.00 0.00 176.35 175.21 3nni s GLN 1041N -2.54 0.09 -0.25 1.70 0.74 -0.83 -4.28 119.66 114.29 3nni s GLN 1041Ca 0.19 0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.46 3nni s GLN 1041Cb -0.08 -0.21 -0.02 0.00 1.10 0.00 0.00 33.01 33.80 3nni s GLN 1041CO 0.09 -0.07 0.57 -1.17 -0.55 0.00 0.00 175.29 174.16 3nni s LEU 1042N 0.51 4.06 0.06 3.68 2.96 -0.78 -1.82 118.68 127.36 3nni s LEU 1042Ca -0.05 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 3nni s LEU 1042Cb -0.07 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 3nni s LEU 1042CO -0.01 -0.32 -0.06 -0.72 -1.32 0.00 0.00 176.35 173.92 3nni s TYR 1043N 2.36 0.68 -0.24 5.38 -0.85 -0.59 -1.48 117.35 122.60 3nni s TYR 1043Ca 0.24 -0.78 -0.24 0.00 -0.52 0.00 0.00 57.07 55.77 3nni s TYR 1043Cb -0.16 -0.42 -0.01 0.00 0.38 0.00 0.00 41.96 41.76 3nni s TYR 1043CO 0.09 -0.18 0.81 0.50 -1.52 0.00 0.00 175.55 175.24 3nni s ARG 1044N -2.92 4.18 0.75 -3.49 6.06 -1.13 -0.27 118.95 122.12 3nni s ARG 1044Ca 0.01 0.90 -0.12 0.00 -2.50 0.00 0.00 55.73 54.02 3nni s ARG 1044Cb -0.00 -3.64 0.17 0.00 0.06 0.00 0.00 34.95 31.53 3nni s ARG 1044CO -0.04 -0.50 1.02 0.25 -2.50 0.00 0.00 175.30 173.53 3nni n THR 1045N 5.23 0.00 0.09 4.11 -2.24 0.17 -4.68 114.28 116.95 3nni n THR 1045Ca 0.05 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 60.83 3nni n THR 1045Cb 0.48 -1.58 -0.15 0.00 -2.10 0.00 0.00 70.33 66.98 3nni n THR 1045CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nni h ALA 1046N -1.75 0.13 0.00 6.98 0.00 -1.98 -3.42 119.26 119.22 3nni h ALA 1046Ca -0.33 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.53 3nni h ALA 1046Cb 0.92 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3nni h ALA 1046CO 0.24 1.00 -0.01 0.36 0.00 0.00 0.00 179.25 180.84 3nni n LYS 1047N -3.56 0.00 -0.02 0.00 0.00 -1.26 -4.88 118.16 108.44 3nni n LYS 1047Ca -0.18 -0.37 0.01 0.00 -0.00 0.00 0.00 58.31 57.76 3nni n LYS 1047Cb 1.07 -0.36 0.02 0.00 -0.00 0.00 0.00 35.03 35.75 3nni n LYS 1047CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3nni n MET 1048N 0.00 2.32 0.00 -1.58 2.81 -1.26 -4.87 117.12 114.54 3nni n MET 1048Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.48 3nni n MET 1048Cb 0.50 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.28 1.85 3.81 3.03 0.00 -1.26 -4.79 105.19 107.56 3nni n GLY 1049Ca 0.02 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 3.77 0.30 1.61 0.52 -1.26 0.42 118.94 124.30 3nni s TRP 1050Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.44 3nni s TRP 1050Cb 0.00 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 3nni s TRP 1050CO 0.00 0.54 0.20 0.20 0.02 0.00 0.00 176.95 177.91 3nni s GLY 1051N -1.26 2.07 -0.14 0.98 0.00 0.62 -4.71 107.32 104.88 3nni s GLY 1051Ca 0.32 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3nni s GLY 1051CO 0.20 -1.51 -0.13 0.14 0.00 0.00 0.00 173.10 171.80 3nni s VAL 1052N -3.65 1.43 0.23 1.40 1.01 -1.25 -1.54 120.40 118.04 3nni s VAL 1052Ca 0.38 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.92 3nni s VAL 1052Cb 0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3nni s VAL 1052CO 0.21 0.44 -0.21 0.00 0.00 0.00 0.00 175.10 175.53 3nni s ARG 1053N 1.50 1.64 0.04 2.72 1.70 -0.76 0.01 118.95 125.80 3nni s ARG 1053Ca 0.04 -1.61 -0.29 0.00 -0.47 0.00 0.00 55.73 53.40 3nni s ARG 1053Cb -0.13 -1.84 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 3nni s ARG 1053CO -0.09 0.37 0.95 0.00 -1.08 0.00 0.00 175.30 175.45 3nni s ALA 1054N -2.04 3.21 -1.71 7.88 0.00 -0.76 -1.96 121.76 126.38 3nni s ALA 1054Ca 0.25 0.52 0.26 0.00 0.00 0.00 0.00 51.96 52.99 3nni s ALA 1054Cb -0.07 -3.28 0.66 0.00 0.00 0.00 0.00 23.12 20.43 3nni s ALA 1054CO 0.13 -0.13 1.51 1.28 0.00 0.00 0.00 175.76 178.54 3nni n LEU 1055N 3.41 1.06 -4.08 0.00 4.77 -0.58 0.09 117.00 121.68 3nni n LEU 1055Ca 0.04 -0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 3nni n LEU 1055Cb 0.50 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3nni n LEU 1055CO 0.51 0.20 -0.11 0.00 -1.33 0.00 0.00 177.39 176.66 3nni s GLN 1056N -2.55 1.18 -0.06 3.23 -2.07 -1.26 -4.85 119.66 113.29 3nni s GLN 1056Ca 0.22 -1.37 -0.30 0.00 -1.82 0.00 0.00 55.36 52.09 3nni s GLN 1056Cb 0.19 0.33 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 3nni s GLN 1056CO 0.54 -0.41 1.04 -0.08 -1.32 0.00 0.00 175.29 175.06 3nni s THR 1057N -4.05 4.69 -0.24 3.63 -1.32 -1.26 -4.23 115.64 112.87 3nni s THR 1057Ca 0.26 1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 62.68 3nni s THR 1057Cb 0.05 -4.26 0.02 0.00 -1.51 0.00 0.00 72.50 66.80 3nni s THR 1057CO 0.05 0.05 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.82 3nni s ILE 1058N 1.71 2.84 0.86 5.08 1.01 0.05 -4.99 121.20 127.75 3nni s ILE 1058Ca 0.51 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3nni s ILE 1058Cb -0.20 -2.42 0.11 0.00 0.01 0.00 0.00 42.46 39.95 3nni s ILE 1058CO 0.22 0.23 1.09 -2.84 0.00 0.00 0.00 174.94 173.64 3nni s PRO 1059N 1.33 1.54 0.31 2.79 0.02 -1.26 -0.20 135.00 139.53 3nni s PRO 1059Ca 0.01 0.97 -0.29 0.00 0.02 0.00 0.00 61.00 61.71 3nni s PRO 1059Cb -0.16 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 3nni s PRO 1059CO -0.05 -2.09 1.37 -1.14 -0.33 0.00 0.00 177.00 174.76 3nni s GLN 1060N -4.90 4.30 0.00 5.54 0.74 -1.26 -3.20 119.66 120.88 3nni s GLN 1060Ca 0.63 2.29 0.00 0.00 0.05 0.00 0.00 55.36 58.32 3nni s GLN 1060Cb -0.18 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3nni s GLN 1060CO 0.57 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3nni n GLY 1061N 1.19 1.21 3.76 2.59 0.00 0.09 -4.59 105.19 109.44 3nni n GLY 1061Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.55 3.02 0.08 2.61 2.01 -1.20 -0.33 115.64 119.28 3nni s THR 1062Ca 0.00 0.99 -0.31 0.00 0.31 0.00 0.00 61.69 62.69 3nni s THR 1062Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 3nni s THR 1062CO 0.00 0.22 1.22 0.12 -0.69 0.00 0.00 174.62 175.49 3nni s PHE 1063N -0.96 3.42 -0.04 4.92 5.36 -1.26 -1.48 117.98 127.95 3nni s PHE 1063Ca 0.49 1.27 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 3nni s PHE 1063Cb -0.37 -3.45 -0.01 0.00 -0.34 0.00 0.00 43.02 38.85 3nni s PHE 1063CO 0.47 -1.39 -0.06 -0.89 -1.46 0.00 0.00 175.22 171.89 3nni n ILE 1064N 3.82 0.33 -3.71 3.12 2.08 0.13 -4.63 119.36 120.49 3nni n ILE 1064Ca 0.09 0.43 -0.05 0.00 0.56 0.00 0.00 62.75 63.77 3nni n ILE 1064Cb 0.46 -1.69 -0.02 0.00 -0.75 0.00 0.00 39.64 37.64 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 -3.38 3.60 -1.10 0.00 2.12 -1.26 -0.33 118.70 118.34 3nni s GLU 1066Ca 0.10 -0.04 -0.21 0.00 0.36 0.00 0.00 54.97 55.19 3nni s GLU 1066Cb -0.02 -3.08 0.07 0.00 0.26 0.00 0.00 34.13 31.36 3nni s GLU 1066CO 0.00 0.65 1.50 -0.47 -0.54 0.00 0.00 175.26 176.40 3nni s TYR 1067N -1.28 2.72 -0.13 5.30 5.04 0.53 -4.60 117.35 124.93 3nni s TYR 1067Ca 0.27 -1.21 -0.21 0.00 -2.44 0.00 0.00 57.07 53.48 3nni s TYR 1067Cb -0.13 -4.65 -0.03 0.00 0.35 0.00 0.00 41.96 37.49 3nni s TYR 1067CO 0.15 -1.82 0.63 0.08 -1.34 0.00 0.00 175.55 173.25 3nni s VAL 1068N 4.32 5.06 0.00 3.14 1.01 -1.26 -4.63 120.40 128.04 3nni s VAL 1068Ca 0.47 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3nni s VAL 1068Cb 0.01 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3nni s VAL 1068CO -0.04 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3nni n GLY 1069N 3.43 3.49 3.60 4.51 0.00 -1.26 -2.74 105.19 116.22 3nni n GLY 1069Ca -0.02 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 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 0.34 3.99 -0.36 1.61 2.12 0.56 -2.51 118.70 124.45 3nni s GLU 1070Ca 0.00 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 3nni s GLU 1070Cb 0.00 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3nni s GLU 1070CO 0.00 -0.22 1.41 -0.51 -0.54 0.00 0.00 175.26 175.41 3nni s LEU 1071N 1.88 3.69 0.17 2.70 1.43 -0.77 -0.33 118.68 127.45 3nni s LEU 1071Ca 0.11 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.33 3nni s LEU 1071Cb -0.16 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3nni s LEU 1071CO 0.10 -1.33 -0.20 0.27 0.23 0.00 0.00 176.35 175.42 3nni s ILE 1072N 5.18 2.61 0.84 -0.59 -4.36 0.36 -4.53 121.20 120.71 3nni s ILE 1072Ca 0.61 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 3nni s ILE 1072Cb -0.16 -2.24 0.09 0.00 1.25 0.00 0.00 42.46 41.40 3nni s ILE 1072CO 0.30 -0.06 1.15 -0.44 0.24 0.00 0.00 174.94 176.13 3nni s SER 1073N -2.56 4.23 0.15 4.36 0.01 -1.26 -1.62 113.70 117.01 3nni s SER 1073Ca 0.20 0.92 -0.17 0.00 1.31 0.00 0.00 55.95 58.21 3nni s SER 1073Cb -0.09 -1.48 0.04 0.00 0.21 0.00 0.00 66.02 64.70 3nni s SER 1073CO 0.11 -2.09 1.74 -0.78 0.41 0.00 0.00 173.24 172.62 3nni h ASP 1074N -1.18 0.05 -0.50 2.44 3.58 -1.94 -2.34 116.42 116.52 3nni h ASP 1074Ca -0.48 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 56.98 3nni h ASP 1074Cb 1.32 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 3nni h ASP 1074CO 0.64 0.06 0.16 0.00 -2.88 0.00 0.00 179.24 177.22 3nni h ALA 1075N 1.23 0.66 -0.52 -0.78 0.00 -1.94 -3.10 119.26 114.80 3nni h ALA 1075Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3nni h ALA 1075Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3nni h ALA 1075CO -0.18 0.31 0.22 1.49 0.00 0.00 0.00 179.25 181.09 3nni h GLU 1076N 0.68 0.75 -0.65 0.00 4.57 -1.89 -2.52 114.58 115.53 3nni h GLU 1076Ca 0.16 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3nni h GLU 1076Cb 0.26 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3nni h GLU 1076CO -0.01 0.61 0.16 0.00 -1.18 0.00 0.00 179.01 178.59 3nni h ALA 1077N 1.50 1.05 0.00 2.92 0.00 -1.35 -2.80 119.26 120.59 3nni h ALA 1077Ca 0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3nni h ALA 1077Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3nni h ALA 1077CO -0.02 0.63 -0.51 -0.44 0.00 0.00 0.00 179.25 178.91 3nni h ASP 1078N 0.97 0.00 0.22 0.00 3.32 -1.51 -3.14 116.42 116.28 3nni h ASP 1078Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3nni h ASP 1078Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3nni h ASP 1078CO 0.00 0.51 -0.03 1.33 -1.72 0.00 0.00 179.24 179.32 3nni n VAL 1079N -3.44 0.00 -4.07 -1.35 0.24 -0.97 -4.86 118.33 103.88 3nni n VAL 1079Ca 0.00 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 3nni n VAL 1079Cb 0.64 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.26 3.59 -0.00 7.34 0.52 -1.13 -5.04 118.95 121.97 3nni s ARG 1080Ca 0.37 -0.31 -0.24 0.00 -0.52 0.00 0.00 55.73 55.03 3nni s ARG 1080Cb 0.21 -3.10 -0.15 0.00 0.52 0.00 0.00 34.95 32.43 3nni s ARG 1080CO 0.42 0.51 1.09 0.93 0.02 0.00 0.00 175.30 178.26 3nni h GLU 1081N 5.88 -0.56 -6.60 3.54 4.39 -1.89 -3.42 114.58 115.92 3nni h GLU 1081Ca -0.45 0.04 -0.56 0.00 0.34 0.00 0.00 59.36 58.73 3nni h GLU 1081Cb 1.19 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.89 3nni h GLU 1081CO 0.63 -0.25 0.90 0.34 -1.16 0.00 0.00 179.01 179.47 3nni s ASP 1082N -4.91 6.70 -0.00 1.42 3.68 -1.26 -4.89 116.67 117.41 3nni s ASP 1082Ca -0.13 0.59 0.07 0.00 2.13 0.00 0.00 52.55 55.21 3nni s ASP 1082Cb 0.02 -2.55 0.21 0.00 -1.45 0.00 0.00 42.92 39.15 3nni s ASP 1082CO 0.46 -1.16 1.17 -0.90 0.13 0.00 0.00 175.17 174.87 3nni n ASP 1083N 7.60 2.62 0.10 -0.34 5.68 -1.26 -4.65 116.55 126.30 3nni n ASP 1083Ca 0.12 -2.01 0.12 0.00 -0.50 0.00 0.00 54.79 52.51 3nni n ASP 1083Cb 0.49 -0.16 0.46 0.00 -1.14 0.00 0.00 41.12 40.76 3nni n ASP 1083CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3nni n SER 1084N 0.16 0.58 -0.07 -1.12 7.64 -1.26 -3.29 113.62 116.25 3nni n SER 1084Ca 0.08 0.61 0.08 0.00 1.01 0.00 0.00 58.87 60.65 3nni n SER 1084Cb 0.37 -0.75 0.11 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.11 0.00 -3.61 1.43 4.01 -1.26 -5.05 117.16 110.57 3nni n TYR 1085Ca 0.03 -0.86 -0.36 0.00 -0.16 0.00 0.00 57.90 56.55 3nni n TYR 1085Cb 0.28 -0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 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 -2.41 4.26 -0.13 7.72 1.02 -1.21 -0.38 118.68 127.55 3nni s LEU 1086Ca 0.25 0.46 -0.02 0.00 0.02 0.00 0.00 54.13 54.84 3nni s LEU 1086Cb 0.22 -2.29 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 3nni s LEU 1086CO 0.02 0.16 -0.07 0.12 0.02 0.00 0.00 176.35 176.60 3nni s PHE 1087N 0.24 2.95 -0.03 0.29 5.36 -0.11 -4.98 117.98 121.70 3nni s PHE 1087Ca 0.15 -0.32 -0.22 0.00 -0.96 0.00 0.00 56.93 55.58 3nni s PHE 1087Cb -0.13 -1.87 -0.05 0.00 -0.34 0.00 0.00 43.02 40.63 3nni s PHE 1087CO 0.03 0.00 0.66 -0.51 -1.46 0.00 0.00 175.22 173.94 3nni s ASP 1088N 0.10 7.01 -0.38 6.13 -0.00 -1.26 -1.92 116.67 126.35 3nni s ASP 1088Ca -0.02 1.21 0.02 0.00 -0.00 0.00 0.00 52.55 53.75 3nni s ASP 1088Cb -0.14 -2.40 0.11 0.00 -0.00 0.00 0.00 42.92 40.49 3nni s ASP 1088CO 0.03 -0.01 0.12 -0.76 -0.00 0.00 0.00 175.17 174.55 3nni s LEU 1089N 0.29 4.92 -0.06 1.23 1.43 -0.01 -5.00 118.68 121.47 3nni s LEU 1089Ca 0.35 -2.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.24 3nni s LEU 1089Cb -0.18 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3nni s LEU 1089CO 0.18 -0.43 0.15 -1.81 0.23 0.00 0.00 176.35 174.67 3nni s ASP 1090N 1.14 -0.13 -0.30 2.29 1.01 -1.26 -1.88 116.67 117.54 3nni s ASP 1090Ca 0.11 0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.69 3nni s ASP 1090Cb -0.21 0.23 0.08 0.00 1.01 0.00 0.00 42.92 44.03 3nni s ASP 1090CO -0.06 -0.12 -0.02 -0.69 0.21 0.00 0.00 175.17 174.49 3nni s VAL 1096N 0.80 2.36 0.08 -1.27 1.01 -1.26 -5.19 120.40 116.93 3nni s VAL 1096Ca -0.06 -1.91 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 3nni s VAL 1096Cb -0.08 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3nni s VAL 1096CO -0.04 -0.29 0.08 -0.31 0.00 0.00 0.00 175.10 174.54 3nni s TYR 1097N 1.04 0.44 0.06 5.22 2.02 -0.79 -3.93 117.35 121.41 3nni s TYR 1097Ca -0.00 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3nni s TYR 1097Cb -0.20 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 3nni s TYR 1097CO -0.06 -0.48 -0.05 0.00 -1.57 0.00 0.00 175.55 173.39 3nni s ILE 1099N -3.11 2.31 -0.27 0.00 1.01 -0.81 -0.48 121.20 119.85 3nni s ILE 1099Ca 0.04 -1.52 -0.10 0.00 0.00 0.00 0.00 60.65 59.07 3nni s ILE 1099Cb 0.02 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3nni s ILE 1099CO -0.05 0.02 0.17 -0.62 0.00 0.00 0.00 174.94 174.45 3nni s ASP 1100N 1.15 5.94 -0.42 3.58 2.15 0.55 -0.93 116.67 128.68 3nni s ASP 1100Ca -0.07 -0.00 0.05 0.00 0.43 0.00 0.00 52.55 52.95 3nni s ASP 1100Cb -0.19 -2.09 0.57 0.00 -0.30 0.00 0.00 42.92 40.90 3nni s ASP 1100CO -0.05 -0.02 1.74 0.00 -0.17 0.00 0.00 175.17 176.67 3nni n ALA 1101N 4.86 5.27 -0.03 3.66 0.00 0.49 -0.32 120.51 134.43 3nni n ALA 1101Ca -0.14 -3.14 -0.22 0.00 0.00 0.00 0.00 53.44 49.94 3nni n ALA 1101Cb 0.52 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 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 1.24 0.17 0.00 0.00 9.65 -1.95 -3.42 114.38 120.07 3nni h ARG 1102Ca 0.48 -0.29 -0.36 0.00 -1.10 0.00 0.00 59.98 58.72 3nni h ARG 1102Cb 2.04 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 30.66 3nni h ARG 1102CO 0.93 1.14 -2.35 0.66 2.80 0.00 0.00 179.97 183.15 3nni n TYR 1103N -3.88 0.00 -3.99 2.20 4.01 -1.26 -4.46 117.16 109.78 3nni n TYR 1103Ca -0.31 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.21 3nni n TYR 1103Cb 0.90 -0.95 -0.17 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.47 0.83 0.05 -0.72 2.02 -1.26 -0.81 117.35 114.98 3nni s TYR 1104Ca -0.17 -0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 55.99 3nni s TYR 1104Cb 0.07 -0.80 0.10 0.00 -0.40 0.00 0.00 41.96 40.92 3nni s TYR 1104CO 0.72 -0.29 1.20 0.20 -1.57 0.00 0.00 175.55 175.81 3nni s GLY 1105N 1.42 -0.16 0.00 0.71 0.00 -0.78 -3.48 107.32 105.04 3nni s GLY 1105Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.84 3nni s GLY 1105CO -0.03 2.69 0.00 1.16 0.00 0.00 0.00 173.10 176.92 3nni n ASN 1106N -0.88 1.00 0.12 1.64 6.94 -1.11 -1.76 115.26 121.20 3nni n ASN 1106Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.59 3nni n ASN 1106Cb 0.60 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.53 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 0.00 1.07 0.00 1.53 6.09 -1.90 -2.77 117.51 121.53 3nni h ILE 1107Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3nni h ILE 1107Cb 0.00 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.04 3nni h ILE 1107CO 0.00 0.07 0.00 0.77 -3.07 0.00 0.00 178.15 175.92 3nni h SER 1108N 0.30 0.00 0.37 2.19 4.64 -1.93 -2.42 113.55 116.71 3nni h SER 1108Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3nni h SER 1108Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3nni h SER 1108CO -0.02 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.83 3nni n ARG 1109N -2.80 0.01 -0.04 4.77 1.85 -1.05 -1.68 116.66 117.72 3nni n ARG 1109Ca -0.00 0.32 0.07 0.00 -1.00 0.00 0.00 57.85 57.23 3nni n ARG 1109Cb 0.19 -1.51 0.08 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.52 0.12 -2.24 2.89 3.72 -0.91 -4.96 117.46 114.55 3nni n PHE 1110Ca 0.03 -0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 3nni n PHE 1110Cb 0.13 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.09 3.79 0.88 4.37 1.09 -0.67 -3.88 121.20 125.68 3nni s ILE 1111Ca 0.18 0.82 -0.12 0.00 -1.10 0.00 0.00 60.65 60.43 3nni s ILE 1111Cb 0.12 -4.00 0.12 0.00 -1.06 0.00 0.00 42.46 37.64 3nni s ILE 1111CO 0.17 -0.59 1.12 0.20 -0.10 0.00 0.00 174.94 175.74 3nni s ASN 1112N 4.44 3.77 0.30 3.58 0.01 -1.26 -4.87 114.94 120.91 3nni s ASN 1112Ca 0.67 1.07 -0.23 0.00 -0.71 0.00 0.00 52.86 53.66 3nni s ASN 1112Cb -0.17 -1.70 -0.09 0.00 0.41 0.00 0.00 41.25 39.69 3nni s ASN 1112CO 0.32 -2.40 0.87 -2.28 -1.51 0.00 0.00 177.10 172.10 3nni s HIS 1113N -3.23 3.64 -0.03 2.20 5.65 -1.26 -3.44 115.29 118.81 3nni s HIS 1113Ca 0.63 1.63 -0.00 0.00 0.25 0.00 0.00 55.06 57.57 3nni s HIS 1113Cb -0.15 -2.81 0.03 0.00 -1.18 0.00 0.00 32.58 28.47 3nni s HIS 1113CO 0.54 0.22 0.02 -0.51 -0.65 0.00 0.00 174.74 174.35 3nni s LEU 1114N -2.15 0.93 0.41 8.88 1.43 -1.19 -4.75 118.68 122.23 3nni s LEU 1114Ca 0.49 -0.00 0.17 0.00 -1.03 0.00 0.00 54.13 53.76 3nni s LEU 1114Cb -0.17 -0.20 0.89 0.00 0.03 0.00 0.00 46.19 46.74 3nni s LEU 1114CO 0.22 -0.14 1.87 0.00 0.23 0.00 0.00 176.35 178.53 3nni s ASP 1116N -6.70 5.45 0.32 0.00 3.68 -1.26 -4.93 116.67 113.23 3nni s ASP 1116Ca -0.02 -3.33 -0.26 0.00 2.13 0.00 0.00 52.55 51.07 3nni s ASP 1116Cb 0.14 -1.84 -0.10 0.00 -1.45 0.00 0.00 42.92 39.67 3nni s ASP 1116CO 0.69 -0.26 0.96 -2.16 0.13 0.00 0.00 175.17 174.53 3nni s PRO 1117N -0.75 4.57 -0.00 4.34 0.05 -1.22 -4.97 135.00 137.01 3nni s PRO 1117Ca 0.22 1.36 0.19 0.00 0.05 0.00 0.00 61.00 62.82 3nni s PRO 1117Cb -0.14 -2.82 -0.21 0.00 0.05 0.00 0.00 34.50 31.39 3nni s PRO 1117CO -0.08 0.26 0.78 0.27 0.05 0.00 0.00 177.00 178.28 3nni n ASN 1118N 0.58 0.87 -4.20 6.66 6.94 -0.87 -4.86 115.26 120.38 3nni n ASN 1118Ca 0.02 -0.88 -0.19 0.00 -0.02 0.00 0.00 54.58 53.51 3nni n ASN 1118Cb 0.50 1.06 -0.12 0.00 -2.36 0.00 0.00 39.78 38.86 3nni n ASN 1118CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3nni s ILE 1119N -2.82 1.24 -0.01 1.53 -4.36 -1.00 -0.07 121.20 115.72 3nni s ILE 1119Ca 0.06 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.06 3nni s ILE 1119Cb 0.14 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.60 3nni s ILE 1119CO 0.78 -0.25 -0.14 0.27 0.24 0.00 0.00 174.94 175.84 3nni s ILE 1120N -1.46 1.09 0.22 8.37 -4.36 0.49 -4.31 121.20 121.26 3nni s ILE 1120Ca 0.02 -0.59 -0.27 0.00 -0.26 0.00 0.00 60.65 59.55 3nni s ILE 1120Cb -0.09 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.62 3nni s ILE 1120CO 0.03 0.31 0.86 -2.16 0.24 0.00 0.00 174.94 174.22 3nni s PRO 1121N -0.32 4.65 -0.05 0.37 0.04 -1.26 -2.10 135.00 136.33 3nni s PRO 1121Ca 0.05 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.39 3nni s PRO 1121Cb -0.05 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3nni s PRO 1121CO -0.01 0.49 -0.08 0.08 0.04 0.00 0.00 177.00 177.53 3nni s VAL 1122N -1.27 0.77 -0.34 -0.36 1.01 -0.03 -4.93 120.40 115.25 3nni s VAL 1122Ca 0.41 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 3nni s VAL 1122Cb -0.23 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3nni s VAL 1122CO 0.27 0.27 1.10 -0.13 0.00 0.00 0.00 175.10 176.62 3nni s ARG 1123N 0.76 4.02 0.04 2.72 0.52 -1.26 -0.45 118.95 125.31 3nni s ARG 1123Ca -0.12 1.03 0.08 0.00 -0.52 0.00 0.00 55.73 56.19 3nni s ARG 1123Cb -0.15 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 3nni s ARG 1123CO 0.02 -0.97 -0.21 0.08 0.02 0.00 0.00 175.30 174.23 3nni s VAL 1124N 3.80 1.73 -0.05 3.52 1.01 0.12 -1.47 120.40 129.07 3nni s VAL 1124Ca 0.47 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3nni s VAL 1124Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3nni s VAL 1124CO 0.18 0.22 -0.22 -0.36 0.00 0.00 0.00 175.10 174.92 3nni s PHE 1125N -0.81 2.48 0.00 5.22 0.08 0.42 -0.61 117.98 124.76 3nni s PHE 1125Ca 0.08 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.63 3nni s PHE 1125Cb -0.09 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 3nni s PHE 1125CO 0.02 -0.07 0.00 -1.33 -0.10 0.00 0.00 175.22 173.74 3nni n MET 1126N 2.68 0.00 0.30 0.44 2.81 -1.26 -1.71 117.12 120.38 3nni n MET 1126Ca -0.17 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 55.91 3nni n MET 1126Cb 0.52 0.00 0.94 0.00 -0.71 0.00 0.00 33.22 33.96 3nni n MET 1126CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3nni h LEU 1127N 0.00 0.00 -8.83 4.03 3.38 -1.93 -3.42 115.31 108.54 3nni h LEU 1127Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3nni h LEU 1127Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3nni h LEU 1127CO 0.00 0.03 -0.64 -1.38 0.09 0.00 0.00 178.44 176.54 3nni s HIS 1128N -4.03 1.47 -0.07 1.13 -3.43 -1.26 -4.89 115.29 104.19 3nni s HIS 1128Ca -0.03 -1.06 0.20 0.00 -0.80 0.00 0.00 55.06 53.38 3nni s HIS 1128Cb 0.12 -0.86 0.41 0.00 -1.43 0.00 0.00 32.58 30.82 3nni s HIS 1128CO 0.50 -0.21 1.18 1.04 -2.00 0.00 0.00 174.74 175.25 3nni n GLN 1129N -0.40 0.55 -2.17 -0.38 6.02 -1.26 -4.80 117.38 114.94 3nni n GLN 1129Ca -0.03 -2.40 -0.38 0.00 -0.01 0.00 0.00 57.00 54.17 3nni n GLN 1129Cb 0.65 -0.58 -0.03 0.00 1.02 0.00 0.00 30.24 31.29 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 -2.38 5.50 0.22 1.08 -1.08 -1.26 -4.85 116.67 113.89 3nni s ASP 1130Ca 0.34 0.05 0.12 0.00 -0.52 0.00 0.00 52.55 52.55 3nni s ASP 1130Cb 0.37 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.95 3nni s ASP 1130CO -0.13 -2.26 1.32 0.18 0.52 0.00 0.00 175.17 174.81 3nni n LEU 1131N 11.96 0.32 0.16 -1.34 4.77 -1.26 -1.23 117.00 130.38 3nni n LEU 1131Ca 0.18 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.79 3nni n LEU 1131Cb 0.51 -0.61 0.17 0.00 -2.33 0.00 0.00 43.42 41.17 3nni n LEU 1131CO 0.70 -0.70 0.56 0.03 -1.33 0.00 0.00 177.39 176.65 3nni h ARG 1132N 0.00 0.00 -2.22 3.23 3.08 -2.00 -3.38 114.38 113.09 3nni h ARG 1132Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3nni h ARG 1132Cb 0.22 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.86 3nni h ARG 1132CO 0.00 0.47 -0.61 1.19 -1.07 0.00 0.00 179.97 179.94 3nni n PHE 1133N -3.38 3.78 -2.47 3.04 3.72 -0.36 -4.78 117.46 117.01 3nni n PHE 1133Ca 0.01 -4.10 -0.35 0.00 -0.05 0.00 0.00 57.45 52.96 3nni n PHE 1133Cb 0.63 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.83 3.77 -0.15 -1.08 0.04 -1.26 -4.89 135.00 128.60 3nni s PRO 1134Ca 0.43 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 3nni s PRO 1134Cb 0.20 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 3nni s PRO 1134CO -0.06 -0.47 0.32 1.03 0.04 0.00 0.00 177.00 177.86 3nni s ARG 1135N -3.08 4.26 -0.25 4.56 0.52 0.22 -4.82 118.95 120.35 3nni s ARG 1135Ca 0.67 0.15 -0.25 0.00 -0.52 0.00 0.00 55.73 55.78 3nni s ARG 1135Cb -0.20 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 3nni s ARG 1135CO 0.23 0.23 0.86 0.42 0.02 0.00 0.00 175.30 177.06 3nni s ILE 1136N 0.48 4.79 -0.13 1.52 -1.09 -1.26 0.15 121.20 125.66 3nni s ILE 1136Ca 0.18 1.57 0.01 0.00 -2.23 0.00 0.00 60.65 60.18 3nni s ILE 1136Cb -0.13 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 3nni s ILE 1136CO 0.05 -0.13 -0.16 0.00 -1.23 0.00 0.00 174.94 173.46 3nni s ALA 1137N 2.94 2.48 -0.16 9.38 0.00 0.40 -0.34 121.76 136.47 3nni s ALA 1137Ca 0.36 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 3nni s ALA 1137Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3nni s ALA 1137CO 0.08 0.20 0.45 -0.06 0.00 0.00 0.00 175.76 176.43 3nni s PHE 1138N 0.45 3.45 0.02 0.00 0.08 0.55 -0.86 117.98 121.67 3nni s PHE 1138Ca -0.12 0.78 0.06 0.00 0.12 0.00 0.00 56.93 57.78 3nni s PHE 1138Cb -0.16 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 3nni s PHE 1138CO 0.05 0.09 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.01 3nni s PHE 1139N 0.94 1.72 -0.08 0.36 0.08 -0.89 0.18 117.98 120.29 3nni s PHE 1139Ca 0.23 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 3nni s PHE 1139Cb -0.15 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 3nni s PHE 1139CO 0.09 0.03 1.64 -1.54 -0.10 0.00 0.00 175.22 175.34 3nni s SER 1140N -0.85 6.64 0.00 1.36 1.04 -0.55 -0.38 113.70 120.97 3nni s SER 1140Ca 0.07 2.14 0.30 0.00 0.48 0.00 0.00 55.95 58.94 3nni s SER 1140Cb -0.08 -2.53 1.51 0.00 0.10 0.00 0.00 66.02 65.02 3nni s SER 1140CO 0.01 -0.96 2.02 -1.54 0.98 0.00 0.00 173.24 173.75 3nni n SER 1141N 7.28 0.35 -3.51 7.02 3.41 0.90 -0.73 113.62 128.34 3nni n SER 1141Ca 0.17 -0.79 -0.06 0.00 -0.26 0.00 0.00 58.87 57.94 3nni n SER 1141Cb 0.43 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.25 1.65 0.12 4.33 1.70 -1.24 -4.91 118.95 118.35 3nni s ARG 1142Ca 0.37 -0.98 -0.31 0.00 -0.47 0.00 0.00 55.73 54.34 3nni s ARG 1142Cb 0.21 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 35.03 3nni s ARG 1142CO 0.41 -0.76 1.28 -0.51 -1.08 0.00 0.00 175.30 174.64 3nni s ASP 1143N -3.05 6.97 -0.18 -2.89 -0.00 -1.26 -3.99 116.67 112.27 3nni s ASP 1143Ca 0.14 2.21 -0.04 0.00 -0.00 0.00 0.00 52.55 54.87 3nni s ASP 1143Cb -0.04 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.27 3nni s ASP 1143CO 0.06 -0.53 -0.04 -0.63 -0.00 0.00 0.00 175.17 174.04 3nni s ILE 1144N 0.76 3.75 0.76 0.77 1.01 0.73 -4.96 121.20 124.02 3nni s ILE 1144Ca 0.60 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 3nni s ILE 1144Cb -0.34 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.52 3nni s ILE 1144CO 0.32 0.47 1.13 -0.13 0.00 0.00 0.00 174.94 176.72 3nni s ARG 1145N 0.71 2.43 0.31 2.79 3.00 -1.26 -0.77 118.95 126.15 3nni s ARG 1145Ca -0.02 0.35 -0.29 0.00 0.00 0.00 0.00 55.73 55.77 3nni s ARG 1145Cb -0.14 -1.98 -0.10 0.00 0.00 0.00 0.00 34.95 32.72 3nni s ARG 1145CO 0.02 -1.32 1.22 0.99 0.00 0.00 0.00 175.30 176.21 3nni s THR 1146N -3.41 3.05 0.00 0.02 2.01 -1.26 -3.11 115.64 112.93 3nni s THR 1146Ca 0.60 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.65 3nni s THR 1146Cb -0.11 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.72 3nni s THR 1146CO 0.51 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 3nni n GLY 1147N 0.99 2.86 3.73 4.40 0.00 0.11 -4.98 105.19 112.29 3nni n GLY 1147Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.10 4.30 0.17 1.61 2.12 -1.18 -4.58 118.70 121.04 3nni s GLU 1148Ca 0.00 2.18 -0.30 0.00 0.36 0.00 0.00 54.97 57.21 3nni s GLU 1148Cb 0.00 -3.19 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 3nni s GLU 1148CO 0.00 -0.44 1.15 -2.00 -0.54 0.00 0.00 175.26 173.43 3nni s GLU 1149N 0.58 4.53 0.15 4.30 2.12 -1.26 -1.84 118.70 127.29 3nni s GLU 1149Ca 0.63 1.79 -0.21 0.00 0.36 0.00 0.00 54.97 57.54 3nni s GLU 1149Cb -0.39 -3.27 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 3nni s GLU 1149CO 0.35 -0.03 0.69 -0.51 -0.54 0.00 0.00 175.26 175.21 3nni s LEU 1150N -0.14 4.49 -0.15 2.70 1.02 0.10 -4.91 118.68 121.79 3nni s LEU 1150Ca 0.52 1.44 -0.30 0.00 0.02 0.00 0.00 54.13 55.81 3nni s LEU 1150Cb -0.31 -3.26 0.12 0.00 0.02 0.00 0.00 46.19 42.76 3nni s LEU 1150CO 0.35 0.17 0.94 -0.83 0.02 0.00 0.00 176.35 177.00 3nni s GLY 1151N -1.31 -0.31 0.25 -3.19 0.00 -1.26 -4.07 107.32 97.42 3nni s GLY 1151Ca 0.36 1.97 0.06 0.00 0.00 0.00 0.00 44.72 47.11 3nni s GLY 1151CO 0.22 1.10 -0.07 -0.11 0.00 0.00 0.00 173.10 174.24 3nni s PHE 1152N -0.98 1.81 -0.28 1.90 -0.12 -1.22 -2.05 117.98 117.05 3nni s PHE 1152Ca -0.03 -0.70 -0.29 0.00 -0.05 0.00 0.00 56.93 55.86 3nni s PHE 1152Cb -0.01 -0.99 0.01 0.00 -0.63 0.00 0.00 43.02 41.40 3nni s PHE 1152CO 0.02 0.25 1.15 0.34 -0.05 0.00 0.00 175.22 176.93 3nni s ASP 1153N -3.38 6.91 0.44 1.98 -1.08 -1.26 -3.16 116.67 117.11 3nni s ASP 1153Ca 0.27 1.24 0.29 0.00 -0.52 0.00 0.00 52.55 53.83 3nni s ASP 1153Cb 0.03 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 3nni s ASP 1153CO 0.10 -0.87 1.85 1.88 0.52 0.00 0.00 175.17 178.65 3nni h TYR 1154N 8.24 0.00 0.00 -5.34 -1.99 -1.95 -3.50 116.97 112.43 3nni h TYR 1154Ca -0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.51 3nni h TYR 1154Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 3nni h TYR 1154CO 0.82 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.39 3nni n GLY 1155N 0.29 0.18 0.19 3.88 0.00 -1.26 -4.41 105.19 104.05 3nni n GLY 1155Ca 0.02 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 -0.01 1.61 3.32 -2.00 -3.13 116.42 116.21 3nni h ASP 1156Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nni h ASP 1156Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3nni h ASP 1156CO 0.00 0.39 0.02 0.03 -1.72 0.00 0.00 179.24 177.96 3nni h ARG 1157N 0.00 0.00 0.00 3.56 -0.00 -1.99 -0.42 114.38 115.53 3nni h ARG 1157Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.43 3nni h ARG 1157Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 3nni h ARG 1157CO 0.05 0.00 -0.26 0.35 0.00 0.00 0.00 179.97 180.11 3nni h PHE 1158N 0.00 0.00 0.00 3.04 3.57 -1.75 -3.22 116.94 118.58 3nni h PHE 1158Ca 0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3nni h PHE 1158Cb 0.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3nni h PHE 1158CO 0.00 1.00 -0.42 -1.49 -2.23 0.00 0.00 178.31 175.17 3nni h TRP 1159N -1.00 0.00 0.00 0.41 4.06 -1.62 0.89 115.95 118.69 3nni h TRP 1159Ca -0.07 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 3nni h TRP 1159Cb 0.98 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.12 3nni h TRP 1159CO 0.21 0.42 -0.40 -0.44 -3.56 0.00 0.00 178.44 174.67 3nni h ASP 1160N 0.00 0.00 0.47 -3.49 5.19 -1.25 -2.83 116.42 114.50 3nni h ASP 1160Ca -0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.10 3nni h ASP 1160Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3nni h ASP 1160CO 0.05 0.40 -1.58 0.40 -3.12 0.00 0.00 179.24 175.40 3nni h ILE 1161N 0.00 1.07 -2.25 0.35 5.03 -1.49 -3.39 117.51 116.83 3nni h ILE 1161Ca -0.00 -2.77 -0.62 0.00 -0.12 0.00 0.00 64.86 61.35 3nni h ILE 1161Cb 1.15 2.67 -0.41 0.00 -3.03 0.00 0.00 36.82 37.20 3nni h ILE 1161CO 0.05 0.77 -0.49 0.29 -0.68 0.00 0.00 178.15 178.10 3nni n LYS 1162N -3.36 2.78 -0.46 2.37 4.76 0.28 -4.74 118.16 119.79 3nni n LYS 1162Ca -0.17 -4.69 0.09 0.00 -2.87 0.00 0.00 58.31 50.67 3nni n LYS 1162Cb 1.04 -2.28 0.30 0.00 -1.84 0.00 0.00 35.03 32.25 3nni n LYS 1162CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3nni n SER 1163N 0.75 3.90 0.06 4.39 7.64 -1.07 -4.11 113.62 125.17 3nni n SER 1163Ca 0.30 -2.24 0.07 0.00 1.01 0.00 0.00 58.87 58.01 3nni n SER 1163Cb 0.40 -0.50 0.32 0.00 -1.01 0.00 0.00 64.21 63.42 3nni n SER 1163CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3nni n TYR 1165N 1.12 0.33 -3.62 1.43 4.11 -1.26 -4.99 117.16 114.28 3nni n TYR 1165Ca 0.22 0.15 -0.14 0.00 -0.00 0.00 0.00 57.90 58.13 3nni n TYR 1165Cb 0.69 -0.74 -0.06 0.00 -0.00 0.00 0.00 39.34 39.23 3nni n TYR 1165CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 3nni s PHE 1166N -3.19 -0.38 0.42 -3.48 -0.12 -1.26 -5.19 117.98 104.78 3nni s PHE 1166Ca 0.02 0.50 0.08 0.00 -0.05 0.00 0.00 56.93 57.48 3nni s PHE 1166Cb 0.06 0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 3nni s PHE 1166CO 0.20 -0.57 0.46 0.95 -0.05 0.00 0.00 175.22 176.21 3nni s THR 1167N -1.98 2.77 0.22 -4.49 -4.23 -1.26 -4.95 115.64 101.72 3nni s THR 1167Ca -0.08 -1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 58.93 3nni s THR 1167Cb -0.01 -2.97 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 3nni s THR 1167CO 0.02 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.34 3nni n GLN 1169N 2.17 2.48 -0.03 0.00 1.13 -1.26 -4.51 117.38 117.36 3nni n GLN 1169Ca 0.04 -2.44 0.02 0.00 -1.94 0.00 0.00 57.00 52.68 3nni n GLN 1169Cb 0.44 -1.53 0.36 0.00 0.11 0.00 0.00 30.24 29.61 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 -1.25 0.10 3.81 0.00 0.00 -1.26 -5.01 105.19 101.57 3nni n GLY 1171Ca 0.03 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3nni n GLY 1171CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nni s SER 1172N -2.46 6.36 0.22 1.61 0.01 -1.26 -4.98 113.70 113.20 3nni s SER 1172Ca 0.00 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.06 3nni s SER 1172Cb 0.00 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.89 3nni s SER 1172CO 0.00 -0.77 1.66 1.05 0.41 0.00 0.00 173.24 175.59 3nni h GLU 1173N 1.37 0.80 -0.98 12.44 9.09 -2.03 -2.93 114.58 132.35 3nni h GLU 1173Ca -0.49 -0.29 -0.64 0.00 0.05 0.00 0.00 59.36 58.00 3nni h GLU 1173Cb 1.21 -0.05 -0.30 0.00 -1.65 0.00 0.00 28.75 27.96 3nni h GLU 1173CO 0.59 0.91 0.76 0.36 0.05 0.00 0.00 179.01 181.68 3nni n LYS 1174N -4.14 2.62 -1.70 1.06 -0.00 -1.26 -5.02 118.16 109.71 3nni n LYS 1174Ca 0.01 -3.26 -0.35 0.00 -0.00 0.00 0.00 58.31 54.71 3nni n LYS 1174Cb 0.39 -2.26 0.06 0.00 -0.00 0.00 0.00 35.03 33.23 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 -2.26 0.00 -0.18 0.00 -0.00 -1.26 -4.89 118.16 109.57 3nni n LYS 1176Ca 0.13 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.50 3nni n LYS 1176Cb 0.50 -0.20 0.09 0.00 -0.00 0.00 0.00 35.03 35.42 3nni n LYS 1176CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3nni n HIS 1177N 0.00 0.00 -2.12 5.58 -0.00 -1.26 -4.74 115.22 112.67 3nni n HIS 1177Ca 0.00 -0.67 -0.27 0.00 -0.00 0.00 0.00 57.72 56.78 3nni n HIS 1177Cb 0.10 -0.11 0.07 0.00 -0.00 0.00 0.00 29.99 30.05 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 -2.18 4.73 0.38 0.41 1.04 -1.26 -1.80 113.70 115.01 3nni s SER 1178Ca 0.20 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.28 3nni s SER 1178Cb 0.18 -1.14 0.74 0.00 0.10 0.00 0.00 66.02 65.90 3nni s SER 1178CO 0.02 -1.68 1.86 0.00 0.98 0.00 0.00 173.24 174.41 3nni h ALA 1179N -0.72 1.42 -0.62 5.32 0.00 -1.95 0.99 119.26 123.70 3nni h ALA 1179Ca -0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 3nni h ALA 1179Cb 1.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3nni h ALA 1179CO 0.62 0.42 0.20 1.49 0.00 0.00 0.00 179.25 181.97 3nni h GLU 1180N 0.09 0.97 0.03 0.00 4.81 -1.98 -1.74 114.58 116.76 3nni h GLU 1180Ca 0.01 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.80 3nni h GLU 1180Cb 0.56 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3nni h GLU 1180CO 0.04 0.85 -1.18 0.00 -0.73 0.00 0.00 179.01 177.98 3nni h ALA 1181N 1.07 0.37 0.00 2.92 0.00 -1.85 -3.27 119.26 118.51 3nni h ALA 1181Ca 0.20 -1.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 3nni h ALA 1181Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3nni h ALA 1181CO -0.01 1.25 -0.31 -0.84 0.00 0.00 0.00 179.25 179.35 3nni h ILE 1182N 0.02 1.05 -0.20 0.00 -2.65 -0.70 -2.02 117.51 113.00 3nni h ILE 1182Ca -0.09 -1.12 -0.09 0.00 1.03 0.00 0.00 64.86 64.60 3nni h ILE 1182Cb 1.86 1.63 -0.00 0.00 -2.05 0.00 0.00 36.82 38.25 3nni h ILE 1182CO 0.14 0.30 -0.22 0.00 0.03 0.00 0.00 178.15 178.40 3nni h ALA 1183N 1.69 0.30 0.00 0.16 0.00 -1.38 -2.80 119.26 117.24 3nni h ALA 1183Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3nni h ALA 1183Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3nni h ALA 1183CO 0.04 0.25 -0.39 -0.07 0.00 0.00 0.00 179.25 179.08 3nni h LEU 1184N 0.18 0.00 -0.26 0.00 3.38 -1.57 -2.63 115.31 114.41 3nni h LEU 1184Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3nni h LEU 1184Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3nni h LEU 1184CO 0.05 0.39 -0.09 -0.33 0.09 0.00 0.00 178.44 178.55 3nni h GLU 1185N 0.00 0.51 -0.02 1.13 4.39 -1.33 -3.16 114.58 116.10 3nni h GLU 1185Ca -0.00 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.34 3nni h GLU 1185Cb 0.80 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3nni h GLU 1185CO 0.05 0.75 -0.66 -0.56 -1.16 0.00 0.00 179.01 177.42 3nni h GLN 1186N 0.25 0.10 -0.01 2.33 -0.00 -1.48 -3.51 115.11 112.79 3nni h GLN 1186Ca 0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3nni h GLN 1186Cb 0.57 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 3nni h GLN 1186CO 0.03 0.73 0.00 -1.13 -0.00 0.00 0.00 178.83 178.46