#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8m n PRO 920 N 0.00 0.37 -3.51 -2.82 -0.01 -1.26 -4.99 135.00 122.78 3h8m n PRO 920 Ca 0.00 0.18 -0.40 0.00 -0.01 0.00 0.00 63.50 63.27 3h8m n PRO 920 Cb 0.00 -2.14 -0.10 0.00 -0.01 0.00 0.00 33.50 31.25 3h8m n PRO 920 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 3h8m s ASP 921 N -1.69 6.08 -0.08 2.55 -1.08 -1.26 -4.96 116.67 116.23 3h8m s ASP 921 Ca 0.71 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.66 3h8m s ASP 921 Cb -0.33 -2.15 0.72 0.00 -1.46 0.00 0.00 42.92 39.70 3h8m s ASP 921 CO 0.53 -0.21 1.62 0.49 0.52 0.00 0.00 175.17 178.12 3h8m n PHE 922 N 5.15 1.38 -0.48 -5.34 3.72 -1.26 -4.28 117.46 116.35 3h8m n PHE 922 Ca -0.12 -0.58 0.09 0.00 -0.05 0.00 0.00 57.45 56.79 3h8m n PHE 922 Cb 0.50 -0.18 0.27 0.00 -0.94 0.00 0.00 39.48 39.14 3h8m n PHE 922 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3h8m n THR 923 N 1.31 1.45 0.12 4.37 -2.24 -1.26 -4.54 114.28 113.49 3h8m n THR 923 Ca 0.26 -1.18 0.11 0.00 -2.27 0.00 0.00 64.05 60.97 3h8m n THR 923 Cb 0.83 0.28 0.23 0.00 -2.10 0.00 0.00 70.33 69.57 3h8m n THR 923 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3h8m n THR 924 N 0.84 0.63 -2.82 4.28 -2.24 -1.26 -4.93 114.28 108.78 3h8m n THR 924 Ca 0.20 -0.82 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 3h8m n THR 924 Cb 0.69 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 3h8m n THR 924 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3h8m s PHE 925 N -1.32 3.96 -1.78 4.78 0.08 -1.26 -4.96 117.98 117.46 3h8m s PHE 925 Ca 0.39 1.83 0.24 0.00 0.12 0.00 0.00 56.93 59.51 3h8m s PHE 925 Cb 0.22 -2.92 0.28 0.00 -0.57 0.00 0.00 43.02 40.04 3h8m s PHE 925 CO 0.31 0.47 1.27 0.00 -0.10 0.00 0.00 175.22 177.16 3h8m s SER 927 N -2.56 -0.52 0.21 0.00 1.04 -1.26 -5.00 113.70 105.61 3h8m s SER 927 Ca 0.19 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 3h8m s SER 927 Cb 0.18 0.58 0.27 0.00 0.10 0.00 0.00 66.02 67.15 3h8m s SER 927 CO 0.59 -0.94 1.79 0.58 0.98 0.00 0.00 173.24 176.24 3h8m h VAL 928 N 2.10 0.91 -0.72 5.02 2.07 -1.89 -1.64 116.25 122.10 3h8m h VAL 928 Ca -0.34 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3h8m h VAL 928 Cb 1.29 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3h8m h VAL 928 CO 0.40 0.11 0.44 1.23 0.02 0.00 0.00 177.57 179.77 3h8m h GLY 929 N 0.61 1.04 0.98 2.17 0.00 -1.95 -0.52 103.07 105.40 3h8m h GLY 929 Ca 0.31 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3h8m h GLY 929 CO -0.22 0.26 0.11 -2.09 0.00 0.00 0.00 176.54 174.60 3h8m h GLU 930 N 0.84 0.83 -0.46 4.80 4.81 -1.88 -1.85 114.58 121.68 3h8m h GLU 930 Ca 0.30 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3h8m h GLU 930 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3h8m h GLU 930 CO -0.13 0.80 0.30 2.35 -0.73 0.00 0.00 179.01 181.60 3h8m h TRP 931 N 0.71 0.56 -0.69 0.92 7.01 -0.96 -1.53 115.95 121.98 3h8m h TRP 931 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 3h8m h TRP 931 Cb 0.35 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3h8m h TRP 931 CO 0.02 0.35 0.42 -0.07 -2.79 0.00 0.00 178.44 176.37 3h8m h LEU 932 N 0.60 0.82 -0.37 0.65 3.38 -0.99 -2.49 115.31 116.91 3h8m h LEU 932 Ca 0.17 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3h8m h LEU 932 Cb -0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3h8m h LEU 932 CO -0.04 0.64 0.19 -0.61 0.09 0.00 0.00 178.44 178.71 3h8m h GLN 933 N 0.93 0.38 0.00 1.13 4.15 -1.18 0.28 115.11 120.81 3h8m h GLN 933 Ca 0.25 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3h8m h GLN 933 Cb -0.04 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3h8m h GLN 933 CO -0.05 0.25 -0.01 0.00 -1.93 0.00 0.00 178.83 177.09 3h8m h ALA 934 N 1.19 1.41 -0.31 3.38 0.00 -0.85 -1.12 119.26 122.95 3h8m h ALA 934 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3h8m h ALA 934 Cb 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h8m h ALA 934 CO -0.10 0.02 0.01 0.44 0.00 0.00 0.00 179.25 179.62 3h8m n ILE 935 N -3.69 2.38 -2.07 0.00 -5.35 -0.86 -4.95 119.36 104.82 3h8m n ILE 935 Ca -0.03 -1.93 -0.20 0.00 -0.27 0.00 0.00 62.75 60.32 3h8m n ILE 935 Cb 0.10 -0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 37.69 3h8m n ILE 935 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3h8m n LYS 936 N -0.50 -1.63 -0.52 6.28 5.02 -0.42 -4.87 118.16 121.52 3h8m n LYS 936 Ca 0.24 1.04 0.08 0.00 -2.02 0.00 0.00 58.31 57.65 3h8m n LYS 936 Cb 0.96 -5.57 0.28 0.00 -0.02 0.00 0.00 35.03 30.67 3h8m n LYS 936 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3h8m n MET 937 N -2.71 3.28 0.05 1.97 2.81 0.93 -4.69 117.12 118.76 3h8m n MET 937 Ca -0.22 -2.88 0.06 0.00 -1.81 0.00 0.00 57.70 52.85 3h8m n MET 937 Cb 0.66 -1.90 0.27 0.00 -0.71 0.00 0.00 33.22 31.54 3h8m n MET 937 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3h8m n GLU 938 N -0.26 0.05 0.22 0.03 0.00 -1.18 -1.33 120.64 118.17 3h8m n GLU 938 Ca 0.22 0.42 0.16 0.00 0.00 0.00 0.00 57.16 57.96 3h8m n GLU 938 Cb 0.93 -1.63 0.76 0.00 0.00 0.00 0.00 31.44 31.50 3h8m n GLU 938 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 3h8m h ARG 939 N 0.00 0.00 -0.57 3.44 0.11 -1.92 -2.53 114.38 112.91 3h8m h ARG 939 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3h8m h ARG 939 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3h8m h ARG 939 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 3h8m n TYR 940 N -2.63 1.08 -0.18 4.08 4.01 -0.45 -4.60 117.16 118.48 3h8m n TYR 940 Ca -0.01 -0.58 -0.01 0.00 -0.16 0.00 0.00 57.90 57.14 3h8m n TYR 940 Cb 0.13 -0.14 0.09 0.00 -0.31 0.00 0.00 39.34 39.11 3h8m n TYR 940 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3h8m h LYS 941 N 3.47 0.29 -0.28 -0.72 3.64 -1.63 -1.82 116.57 119.53 3h8m h LYS 941 Ca 0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3h8m h LYS 941 Cb 1.17 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3h8m h LYS 941 CO 0.12 0.19 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.74 3h8m h ASP 942 N 0.30 0.62 -0.33 4.20 3.32 -1.84 -1.39 116.42 121.29 3h8m h ASP 942 Ca 0.28 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3h8m h ASP 942 Cb 0.37 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3h8m h ASP 942 CO -0.33 0.89 0.06 0.78 -1.72 0.00 0.00 179.24 178.93 3h8m h ASN 943 N 0.51 0.01 -0.22 6.45 -0.26 -1.68 0.47 115.58 120.86 3h8m h ASN 943 Ca 0.06 0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.81 3h8m h ASN 943 Cb 0.80 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 3h8m h ASN 943 CO 0.07 0.04 -0.02 -0.26 -1.06 0.00 0.00 177.43 176.19 3h8m h PHE 944 N 0.18 0.45 -0.04 1.19 0.04 -1.09 -2.62 116.94 115.05 3h8m h PHE 944 Ca 0.15 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3h8m h PHE 944 Cb 0.17 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3h8m h PHE 944 CO -0.18 0.62 0.02 1.15 -0.60 0.00 0.00 178.31 179.32 3h8m h THR 945 N 0.16 1.05 -0.23 -1.55 2.02 -1.02 0.28 112.91 113.62 3h8m h THR 945 Ca 0.06 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3h8m h THR 945 Cb 0.45 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3h8m h THR 945 CO 0.02 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.10 3h8m h ALA 946 N 0.97 2.06 -0.43 6.16 0.00 -0.05 0.33 119.26 128.31 3h8m h ALA 946 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h8m h ALA 946 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h8m h ALA 946 CO -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3h8m n ALA 947 N -2.55 2.44 -1.95 0.00 0.00 -0.99 -4.93 120.51 112.52 3h8m n ALA 947 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 3h8m n ALA 947 Cb 0.22 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3h8m n ALA 947 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8m n GLY 948 N 1.26 0.24 3.48 0.00 0.00 0.12 -4.96 105.19 105.33 3h8m n GLY 948 Ca 0.16 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 3h8m n GLY 948 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8m s TYR 949 N -2.37 3.19 -1.45 1.61 2.02 0.06 -4.75 117.35 115.65 3h8m s TYR 949 Ca 0.00 -1.71 0.19 0.00 -0.37 0.00 0.00 57.07 55.18 3h8m s TYR 949 Cb 0.00 -4.40 -0.07 0.00 -0.40 0.00 0.00 41.96 37.09 3h8m s TYR 949 CO 0.00 -1.53 0.90 0.09 -1.57 0.00 0.00 175.55 173.43 3h8m n ASN 950 N 6.62 1.51 -4.23 2.29 3.02 -1.26 -4.37 115.26 118.84 3h8m n ASN 950 Ca 0.34 -1.25 -0.15 0.00 -0.03 0.00 0.00 54.58 53.48 3h8m n ASN 950 Cb 0.46 0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 40.17 3h8m n ASN 950 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h8m s SER 951 N -2.33 1.78 0.36 6.41 1.04 -1.26 -4.67 113.70 115.03 3h8m s SER 951 Ca 0.13 -0.91 0.19 0.00 0.48 0.00 0.00 55.95 55.85 3h8m s SER 951 Cb 0.15 -0.02 0.29 0.00 0.10 0.00 0.00 66.02 66.53 3h8m s SER 951 CO 0.56 -0.26 1.56 -0.07 0.98 0.00 0.00 173.24 176.01 3h8m h LEU 952 N 3.18 0.00 -0.30 2.42 3.38 -1.93 -2.91 115.31 119.15 3h8m h LEU 952 Ca -0.38 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.65 3h8m h LEU 952 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3h8m h LEU 952 CO 0.57 0.28 -0.01 -0.33 0.09 0.00 0.00 178.44 179.04 3h8m h GLU 953 N 0.00 0.08 -0.20 1.13 3.07 -1.99 0.15 114.58 116.82 3h8m h GLU 953 Ca -0.00 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3h8m h GLU 953 Cb 1.16 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3h8m h GLU 953 CO 0.04 0.05 -0.45 0.66 -1.40 0.00 0.00 179.01 177.91 3h8m h SER 954 N 0.08 0.52 -0.55 1.42 4.64 -1.96 -2.87 113.55 114.83 3h8m h SER 954 Ca 0.14 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3h8m h SER 954 Cb 0.20 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 3h8m h SER 954 CO -0.25 0.90 0.27 0.58 -0.87 0.00 0.00 176.83 177.46 3h8m h VAL 955 N 0.40 1.20 0.00 0.95 2.07 -1.31 -2.72 116.25 116.84 3h8m h VAL 955 Ca 0.03 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3h8m h VAL 955 Cb 0.94 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3h8m h VAL 955 CO 0.08 0.23 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 3h8m h ALA 956 N 1.10 1.05 -0.01 1.67 0.00 -0.48 -1.95 119.26 120.65 3h8m h ALA 956 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h8m h ALA 956 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h8m h ALA 956 CO -0.02 0.02 -0.03 0.54 0.00 0.00 0.00 179.25 179.75 3h8m n ARG 957 N -3.18 1.31 -2.49 0.00 1.74 -1.03 -4.63 116.66 108.38 3h8m n ARG 957 Ca -0.02 -0.60 -0.38 0.00 -0.77 0.00 0.00 57.85 56.08 3h8m n ARG 957 Cb 0.15 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3h8m n ARG 957 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h8m s MET 958 N -2.10 4.38 0.53 5.56 -1.94 -0.74 -5.07 119.30 119.92 3h8m s MET 958 Ca 0.38 1.67 0.09 0.00 -1.71 0.00 0.00 55.69 56.12 3h8m s MET 958 Cb 0.21 -2.86 0.06 0.00 2.01 0.00 0.00 34.83 34.24 3h8m s MET 958 CO 0.38 0.01 0.66 0.95 -0.01 0.00 0.00 175.02 177.01 3h8m s THR 959 N -1.40 2.29 0.37 2.05 -4.23 -1.26 -4.99 115.64 108.47 3h8m s THR 959 Ca 0.51 -1.10 0.11 0.00 -1.18 0.00 0.00 61.69 60.04 3h8m s THR 959 Cb -0.27 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.52 3h8m s THR 959 CO 0.35 0.00 1.87 -0.29 -0.54 0.00 0.00 174.62 176.01 3h8m h ILE 960 N 0.42 0.80 -0.60 2.99 6.09 -1.98 -1.74 117.51 123.48 3h8m h ILE 960 Ca -0.34 -0.21 -0.02 0.00 -1.37 0.00 0.00 64.86 62.93 3h8m h ILE 960 Cb 1.29 0.13 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 3h8m h ILE 960 CO 0.45 0.11 0.32 -0.33 -3.07 0.00 0.00 178.15 175.63 3h8m h GLU 961 N 0.61 0.85 -0.74 2.19 5.08 -1.98 0.17 114.58 120.75 3h8m h GLU 961 Ca 0.45 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 3h8m h GLU 961 Cb 0.81 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3h8m h GLU 961 CO -0.20 0.66 0.40 -0.44 -1.00 0.00 0.00 179.01 178.43 3h8m h ASP 962 N 0.82 0.94 -0.38 1.42 3.32 -1.73 -1.24 116.42 119.58 3h8m h ASP 962 Ca 0.21 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3h8m h ASP 962 Cb 0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3h8m h ASP 962 CO -0.03 0.77 0.18 0.58 -1.72 0.00 0.00 179.24 179.02 3h8m h VAL 963 N 1.03 1.17 -0.45 -1.35 2.07 -0.80 -2.61 116.25 115.30 3h8m h VAL 963 Ca 0.26 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3h8m h VAL 963 Cb 0.05 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3h8m h VAL 963 CO -0.04 0.18 0.10 0.24 0.02 0.00 0.00 177.57 178.07 3h8m h MET 964 N 0.47 0.68 0.00 1.57 2.86 -0.54 -2.12 114.93 117.85 3h8m h MET 964 Ca 0.13 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h8m h MET 964 Cb 0.12 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3h8m h MET 964 CO -0.02 0.63 -0.01 0.77 1.06 0.00 0.00 176.91 179.35 3h8m h SER 965 N 0.66 0.00 0.41 1.22 0.02 -0.85 -1.81 113.55 113.21 3h8m h SER 965 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3h8m h SER 965 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3h8m h SER 965 CO -0.00 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3h8m n LEU 966 N -3.90 0.00 -0.34 5.07 4.77 -0.80 -4.89 117.00 116.92 3h8m n LEU 966 Ca -0.03 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3h8m n LEU 966 Cb 0.09 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3h8m n LEU 966 CO 0.28 -0.02 -0.04 0.61 -1.33 0.00 0.00 177.39 176.89 3h8m n GLY 967 N 1.02 0.72 3.58 -0.72 0.00 -0.68 -4.90 105.19 104.21 3h8m n GLY 967 Ca 0.15 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3h8m n GLY 967 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8m s ILE 968 N -2.16 4.29 -0.08 -0.61 1.01 -1.24 -4.88 121.20 117.53 3h8m s ILE 968 Ca 0.00 0.95 0.09 0.00 0.00 0.00 0.00 60.65 61.70 3h8m s ILE 968 Cb 0.00 -4.55 -0.13 0.00 0.01 0.00 0.00 42.46 37.78 3h8m s ILE 968 CO 0.00 -0.99 0.08 0.35 0.00 0.00 0.00 174.94 174.38 3h8m n THR 969 N 6.64 0.54 -1.83 2.92 -2.24 -1.26 -4.57 114.28 114.48 3h8m n THR 969 Ca 0.09 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3h8m n THR 969 Cb 0.49 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3h8m n THR 969 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h8m s LEU 970 N -4.53 4.37 0.31 3.22 1.43 -1.26 -4.87 118.68 117.36 3h8m s LEU 970 Ca -0.05 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.76 3h8m s LEU 970 Cb 0.04 -3.59 0.51 0.00 0.03 0.00 0.00 46.19 43.18 3h8m s LEU 970 CO 0.42 -0.91 1.89 0.58 0.23 0.00 0.00 176.35 178.56 3h8m h VAL 971 N 4.19 1.20 -0.46 -1.59 2.07 -1.99 -1.91 116.25 117.75 3h8m h VAL 971 Ca -0.43 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3h8m h VAL 971 Cb 1.20 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3h8m h VAL 971 CO 0.94 0.25 0.11 1.23 0.02 0.00 0.00 177.57 180.12 3h8m h GLY 972 N 0.91 0.75 0.98 2.17 0.00 -1.99 -1.26 103.07 104.62 3h8m h GLY 972 Ca 0.18 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 3h8m h GLY 972 CO -0.01 0.39 -0.63 0.45 0.00 0.00 0.00 176.54 176.73 3h8m h HIS 973 N 0.68 0.83 -0.88 5.60 3.86 -1.77 -2.01 115.15 121.46 3h8m h HIS 973 Ca 0.15 -0.38 0.10 0.00 -1.16 0.00 0.00 60.37 59.08 3h8m h HIS 973 Cb 0.25 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.52 3h8m h HIS 973 CO 0.01 1.18 0.52 1.96 0.86 0.00 0.00 177.93 182.47 3h8m h GLN 974 N 0.24 0.84 -0.07 2.45 4.20 -1.10 -1.38 115.11 120.28 3h8m h GLN 974 Ca -0.05 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 3h8m h GLN 974 Cb 1.28 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.88 3h8m h GLN 974 CO 0.13 0.56 -0.50 0.87 -0.67 0.00 0.00 178.83 179.22 3h8m h LYS 975 N 0.87 0.47 -0.09 1.46 1.57 -1.21 -0.34 116.57 119.28 3h8m h LYS 975 Ca 0.43 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3h8m h LYS 975 Cb 0.39 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3h8m h LYS 975 CO -0.25 1.04 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.29 3h8m h LYS 976 N 0.02 -0.22 0.06 3.15 1.63 -1.18 0.22 116.57 120.25 3h8m h LYS 976 Ca -0.04 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3h8m h LYS 976 Cb 1.16 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3h8m h LYS 976 CO 0.10 -0.15 -0.03 0.82 -3.45 0.00 0.00 179.45 176.75 3h8m h ILE 977 N -0.23 0.99 -0.89 2.00 2.04 -1.27 -0.63 117.51 119.52 3h8m h ILE 977 Ca 0.08 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3h8m h ILE 977 Cb 0.35 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3h8m h ILE 977 CO -0.23 0.03 0.55 0.24 0.00 0.00 0.00 178.15 178.75 3h8m h MET 978 N -0.13 0.93 -0.52 2.37 2.86 -0.98 0.17 114.93 119.63 3h8m h MET 978 Ca -0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3h8m h MET 978 Cb 0.11 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3h8m h MET 978 CO 0.01 0.61 0.21 1.03 1.06 0.00 0.00 176.91 179.84 3h8m h SER 979 N 0.96 0.71 -0.36 1.22 0.87 -0.56 -1.13 113.55 115.26 3h8m h SER 979 Ca 0.41 -0.17 -0.15 0.00 -1.23 0.00 0.00 61.79 60.65 3h8m h SER 979 Cb 0.27 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3h8m h SER 979 CO -0.21 0.69 -0.37 -1.28 -0.53 0.00 0.00 176.83 175.13 3h8m h SER 980 N 0.70 0.96 -0.65 6.23 0.87 -0.57 -2.68 113.55 118.41 3h8m h SER 980 Ca 0.17 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3h8m h SER 980 Cb 0.19 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3h8m h SER 980 CO -0.01 1.22 0.39 0.40 -0.53 0.00 0.00 176.83 178.30 3h8m h ILE 981 N 0.75 1.19 0.24 2.23 2.04 -0.56 -1.96 117.51 121.43 3h8m h ILE 981 Ca 0.07 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3h8m h ILE 981 Cb 0.95 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3h8m h ILE 981 CO 0.09 0.19 -0.31 -0.61 0.00 0.00 0.00 178.15 177.51 3h8m h GLN 982 N 0.88 -0.59 -0.87 2.37 4.15 -1.04 0.21 115.11 120.22 3h8m h GLN 982 Ca 0.23 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.77 3h8m h GLN 982 Cb -0.03 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 3h8m h GLN 982 CO -0.04 -0.39 0.53 1.79 -1.93 0.00 0.00 178.83 178.78 3h8m h THR 983 N -0.61 0.99 0.35 2.39 1.35 -1.36 -1.50 112.91 114.52 3h8m h THR 983 Ca 0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 3h8m h THR 983 Cb 0.59 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 3h8m h THR 983 CO -0.11 0.17 -0.25 -0.03 -0.25 0.00 0.00 175.52 175.05 3h8m h MET 984 N 0.93 -0.57 -0.97 4.72 1.85 -1.15 -3.19 114.93 116.56 3h8m h MET 984 Ca 0.39 0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.56 3h8m h MET 984 Cb 0.26 0.13 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 3h8m h MET 984 CO -0.20 -0.38 0.64 -0.09 -0.40 0.00 0.00 176.91 176.47 3h8m h ARG 985 N -0.59 1.18 -0.31 0.39 2.43 -0.05 -0.25 114.38 117.18 3h8m h ARG 985 Ca -0.03 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3h8m h ARG 985 Cb 0.50 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3h8m h ARG 985 CO 0.01 0.78 0.21 0.00 -1.51 0.00 0.00 179.97 179.46 3h8m h ALA 986 N 1.44 1.91 0.00 2.80 0.00 -1.28 0.10 119.26 124.23 3h8m h ALA 986 Ca 0.39 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 3h8m h ALA 986 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h8m h ALA 986 CO -0.12 0.05 -2.12 1.04 0.00 0.00 0.00 179.25 178.09 3h8m n GLN 987 N -4.49 0.67 -0.06 0.00 6.02 -0.81 -4.53 117.38 114.17 3h8m n GLN 987 Ca 0.03 -0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 56.72 3h8m n GLN 987 Cb 0.16 -1.52 -0.14 0.00 1.02 0.00 0.00 30.24 29.76 3h8m n GLN 987 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3h8m n MET 988 N -2.42 0.69 0.00 -1.09 1.56 -0.17 -5.03 117.12 110.66 3h8m n MET 988 Ca -0.13 0.18 0.09 0.00 -0.27 0.00 0.00 57.70 57.57 3h8m n MET 988 Cb 0.76 -1.63 0.08 0.00 2.15 0.00 0.00 33.22 34.57 3h8m n MET 988 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52