#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8m n ASN 913 N 0.00 0.00 0.30 -1.84 0.23 -0.88 -4.98 115.26 108.09 3h8m n ASN 913 Ca 0.00 -0.55 0.19 0.00 -0.53 0.00 0.00 54.58 53.69 3h8m n ASN 913 Cb 0.00 0.00 0.94 0.00 -2.08 0.00 0.00 39.78 38.64 3h8m n ASN 913 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3h8m h LEU 914 N 0.00 0.00 0.00 -4.53 4.07 -2.10 -3.26 115.31 109.49 3h8m h LEU 914 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 3h8m h LEU 914 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h8m h LEU 914 CO 0.00 0.02 -0.47 1.88 -1.08 0.00 0.00 178.44 178.79 3h8m h TYR 915 N 0.00 0.00 -3.74 1.13 0.05 -2.08 -3.44 116.97 108.89 3h8m h TYR 915 Ca -0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 3h8m h TYR 915 Cb 0.25 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.63 3h8m h TYR 915 CO 0.00 1.04 -0.71 0.12 -1.05 0.00 0.00 178.16 177.56 3h8m s PHE 916 N -2.22 3.46 0.22 4.88 5.36 -1.23 -4.99 117.98 123.46 3h8m s PHE 916 Ca -0.21 -2.42 0.30 0.00 -0.96 0.00 0.00 56.93 53.65 3h8m s PHE 916 Cb 0.01 -2.45 1.34 0.00 -0.34 0.00 0.00 43.02 41.57 3h8m s PHE 916 CO 0.58 -0.89 1.99 -0.56 -1.46 0.00 0.00 175.22 174.87 3h8m h GLN 917 N 7.82 0.00 0.00 10.12 3.07 -1.87 -2.34 115.11 131.92 3h8m h GLN 917 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 3h8m h GLN 917 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.60 3h8m h GLN 917 CO 0.53 0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.95 3h8m n GLY 918 N -0.17 1.10 3.11 0.06 0.00 -1.26 -4.88 105.19 103.16 3h8m n GLY 918 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3h8m n GLY 918 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h8m s THR 919 N 0.00 1.44 0.75 2.61 -4.23 -1.26 -5.06 115.64 109.89 3h8m s THR 919 Ca 0.00 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 3h8m s THR 919 Cb 0.00 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.62 3h8m s THR 919 CO 0.00 0.42 1.08 -2.16 -0.54 0.00 0.00 174.62 173.42 3h8m s PRO 920 N 0.33 2.51 -0.58 3.99 0.05 -1.26 -4.98 135.00 135.07 3h8m s PRO 920 Ca -0.11 0.97 -0.22 0.00 0.05 0.00 0.00 61.00 61.69 3h8m s PRO 920 Cb -0.14 -1.94 0.06 0.00 0.05 0.00 0.00 34.50 32.53 3h8m s PRO 920 CO 0.04 -1.41 0.85 0.34 0.05 0.00 0.00 177.00 176.87 3h8m s ASP 921 N -3.67 6.25 0.00 6.66 -1.08 -1.26 -4.88 116.67 118.69 3h8m s ASP 921 Ca 0.60 -0.78 0.30 0.00 -0.52 0.00 0.00 52.55 52.15 3h8m s ASP 921 Cb -0.15 -2.38 1.46 0.00 -1.46 0.00 0.00 42.92 40.39 3h8m s ASP 921 CO 0.55 -1.20 1.98 0.49 0.52 0.00 0.00 175.17 177.51 3h8m n PHE 922 N 7.12 0.00 1.33 -5.34 0.99 -1.26 -3.64 117.46 116.66 3h8m n PHE 922 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.56 3h8m n PHE 922 Cb 0.46 -0.05 0.54 0.00 -1.00 0.00 0.00 39.48 39.43 3h8m n PHE 922 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3h8m n THR 923 N -0.62 0.00 1.27 4.37 -2.24 -1.26 -3.65 114.28 112.15 3h8m n THR 923 Ca 0.20 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 3h8m n THR 923 Cb 0.23 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.96 0.00 -2.92 4.28 -2.24 -1.24 -4.92 114.28 106.28 3h8m n THR 924 Ca 0.13 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 3h8m n THR 924 Cb 0.30 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.51 3.81 -1.18 4.78 0.08 -1.24 -4.95 117.98 116.77 3h8m s PHE 925 Ca 0.25 1.60 0.24 0.00 0.12 0.00 0.00 56.93 59.15 3h8m s PHE 925 Cb 0.19 -2.86 0.38 0.00 -0.57 0.00 0.00 43.02 40.17 3h8m s PHE 925 CO 0.51 0.34 1.32 0.00 -0.10 0.00 0.00 175.22 177.30 3h8m s SER 927 N -2.89 -0.52 0.25 0.00 1.04 -1.26 -5.00 113.70 105.31 3h8m s SER 927 Ca 0.13 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 3h8m s SER 927 Cb 0.18 0.58 0.25 0.00 0.10 0.00 0.00 66.02 67.13 3h8m s SER 927 CO 0.70 -0.95 1.92 0.58 0.98 0.00 0.00 173.24 176.47 3h8m h VAL 928 N 2.00 1.24 -0.45 5.02 2.07 -1.90 -2.33 116.25 121.90 3h8m h VAL 928 Ca -0.32 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3h8m h VAL 928 Cb 1.30 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3h8m h VAL 928 CO 0.36 0.24 0.22 1.23 0.02 0.00 0.00 177.57 179.64 3h8m h GLY 929 N 1.32 0.62 1.21 2.17 0.00 -1.96 0.15 103.07 106.59 3h8m h GLY 929 Ca 0.36 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3h8m h GLY 929 CO -0.08 0.09 0.22 0.83 0.00 0.00 0.00 176.54 177.60 3h8m h GLU 930 N 0.43 0.99 -0.14 4.80 5.08 -1.89 -1.85 114.58 122.00 3h8m h GLU 930 Ca 0.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3h8m h GLU 930 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h8m h GLU 930 CO -0.15 0.84 0.06 2.35 -1.00 0.00 0.00 179.01 181.10 3h8m h TRP 931 N 0.97 0.22 -0.56 4.33 7.01 -0.92 -2.20 115.95 124.79 3h8m h TRP 931 Ca 0.22 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 3h8m h TRP 931 Cb 0.25 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 3h8m h TRP 931 CO 0.02 0.30 0.29 -0.07 -2.79 0.00 0.00 178.44 176.19 3h8m h LEU 932 N 0.07 0.72 -1.18 0.65 3.38 -0.51 -2.15 115.31 116.30 3h8m h LEU 932 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h8m h LEU 932 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3h8m h LEU 932 CO -0.00 0.63 0.41 0.06 0.09 0.00 0.00 178.44 179.62 3h8m h GLN 933 N 0.76 0.97 -0.25 1.13 3.07 -1.36 0.46 115.11 119.90 3h8m h GLN 933 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 3h8m h GLN 933 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.43 3h8m h GLN 933 CO -0.03 0.70 0.08 0.00 0.09 0.00 0.00 178.83 179.67 3h8m h ALA 934 N 1.46 1.68 -0.38 0.06 0.00 -0.73 -2.16 119.26 119.20 3h8m h ALA 934 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h8m h ALA 934 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h8m h ALA 934 CO -0.04 0.25 0.01 0.44 0.00 0.00 0.00 179.25 179.90 3h8m n ILE 935 N -4.42 2.48 -2.96 0.00 -5.35 -1.05 -4.97 119.36 103.09 3h8m n ILE 935 Ca 0.01 -1.74 -0.21 0.00 -0.27 0.00 0.00 62.75 60.54 3h8m n ILE 935 Cb 0.14 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 37.78 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 -0.15 -3.66 -0.31 6.28 5.02 -0.80 -4.87 118.16 119.67 3h8m n LYS 936 Ca 0.24 0.74 0.08 0.00 -2.02 0.00 0.00 58.31 57.36 3h8m n LYS 936 Cb 1.01 -5.49 0.21 0.00 -0.02 0.00 0.00 35.03 30.74 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 -3.63 2.56 0.29 1.97 2.81 0.15 -4.72 117.12 116.56 3h8m n MET 937 Ca -0.10 -2.64 0.20 0.00 -1.81 0.00 0.00 57.70 53.34 3h8m n MET 937 Cb 0.60 -1.67 1.05 0.00 -0.71 0.00 0.00 33.22 32.49 3h8m n MET 937 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3h8m h GLU 938 N 1.35 0.00 0.00 0.03 9.09 -1.86 0.23 114.58 123.42 3h8m h GLU 938 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3h8m h GLU 938 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3h8m h GLU 938 CO 0.14 0.00 0.00 0.07 0.05 0.00 0.00 179.01 179.27 3h8m h ARG 939 N 0.00 0.00 -0.67 1.06 0.11 -1.92 -2.27 114.38 110.70 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 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 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 -2.80 1.50 -0.11 4.08 4.01 0.07 -4.61 117.16 119.30 3h8m n TYR 940 Ca -0.01 -0.60 -0.05 0.00 -0.16 0.00 0.00 57.90 57.08 3h8m n TYR 940 Cb 0.13 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 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 4.14 0.07 -0.21 -0.72 1.63 -1.58 -1.95 116.57 117.96 3h8m h LYS 941 Ca 0.00 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 3h8m h LYS 941 Cb 1.45 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.05 3h8m h LYS 941 CO 0.23 0.05 -0.19 -0.44 -3.45 0.00 0.00 179.45 175.65 3h8m h ASP 942 N 0.08 0.35 -0.96 4.20 3.32 -1.84 -1.76 116.42 119.80 3h8m h ASP 942 Ca 0.18 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3h8m h ASP 942 Cb 0.27 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3h8m h ASP 942 CO -0.33 0.56 0.63 0.78 -1.72 0.00 0.00 179.24 179.17 3h8m h ASN 943 N 0.33 1.07 -0.06 6.45 4.21 -1.68 0.39 115.58 126.28 3h8m h ASN 943 Ca 0.06 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.48 3h8m h ASN 943 Cb 0.53 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3h8m h ASN 943 CO 0.04 0.75 -0.25 -0.26 -1.29 0.00 0.00 177.43 176.41 3h8m h PHE 944 N 1.25 0.36 0.22 1.19 0.04 -1.07 -2.97 116.94 115.95 3h8m h PHE 944 Ca 0.37 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.99 3h8m h PHE 944 Cb -0.06 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3h8m h PHE 944 CO -0.01 0.88 -0.30 1.15 -0.60 0.00 0.00 178.31 179.43 3h8m h THR 945 N -0.26 0.36 -0.32 -1.55 2.02 -1.23 -0.73 112.91 111.19 3h8m h THR 945 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 3h8m h THR 945 Cb 0.91 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3h8m h THR 945 CO 0.05 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.20 3h8m h ALA 946 N 0.03 2.19 -0.02 6.16 0.00 -0.32 -0.09 119.26 127.22 3h8m h ALA 946 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h8m h ALA 946 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h8m h ALA 946 CO -0.12 -0.42 -0.10 0.00 0.00 0.00 0.00 179.25 178.61 3h8m n ALA 947 N -2.53 2.76 -0.35 0.00 0.00 -0.99 -4.94 120.51 114.47 3h8m n ALA 947 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3h8m n ALA 947 Cb 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.76 3.54 0.00 0.00 -0.05 -5.00 105.19 105.71 3h8m n GLY 948 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.31 2.76 -1.40 1.61 2.02 -0.33 -4.72 117.35 114.98 3h8m s TYR 949 Ca 0.00 -1.25 0.14 0.00 -0.37 0.00 0.00 57.07 55.59 3h8m s TYR 949 Cb 0.00 -4.63 0.28 0.00 -0.40 0.00 0.00 41.96 37.21 3h8m s TYR 949 CO 0.00 -1.80 1.18 0.09 -1.57 0.00 0.00 175.55 173.45 3h8m n ASN 950 N 8.16 2.79 -4.02 2.29 4.13 -1.26 -4.27 115.26 123.09 3h8m n ASN 950 Ca 0.37 -1.84 -0.08 0.00 1.68 0.00 0.00 54.58 54.70 3h8m n ASN 950 Cb 0.49 -0.18 -0.11 0.00 -1.54 0.00 0.00 39.78 38.44 3h8m n ASN 950 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3h8m s SER 951 N -1.07 0.33 0.44 6.41 1.04 -1.26 -4.74 113.70 114.85 3h8m s SER 951 Ca 0.24 -0.68 0.24 0.00 0.48 0.00 0.00 55.95 56.23 3h8m s SER 951 Cb 0.14 0.14 0.88 0.00 0.10 0.00 0.00 66.02 67.28 3h8m s SER 951 CO 0.19 -0.42 1.81 -0.07 0.98 0.00 0.00 173.24 175.73 3h8m h LEU 952 N 4.06 0.00 -0.63 2.42 3.38 -1.92 -2.55 115.31 120.06 3h8m h LEU 952 Ca -0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 3h8m h LEU 952 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3h8m h LEU 952 CO 0.51 0.21 0.09 1.05 0.09 0.00 0.00 178.44 180.39 3h8m h GLU 953 N 0.00 1.06 -0.45 1.13 9.09 -1.99 0.65 114.58 124.07 3h8m h GLU 953 Ca -0.00 -0.29 0.01 0.00 0.05 0.00 0.00 59.36 59.13 3h8m h GLU 953 Cb 0.77 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 3h8m h GLU 953 CO 0.03 0.99 0.29 0.77 0.05 0.00 0.00 179.01 181.13 3h8m h SER 954 N 0.97 0.49 -0.11 3.06 0.02 -1.94 -3.04 113.55 113.00 3h8m h SER 954 Ca 0.19 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3h8m h SER 954 Cb 0.45 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3h8m h SER 954 CO 0.02 0.35 0.06 0.58 -1.14 0.00 0.00 176.83 176.70 3h8m h VAL 955 N 0.59 1.09 -0.60 2.27 2.07 -1.20 -2.69 116.25 117.77 3h8m h VAL 955 Ca 0.17 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.62 3h8m h VAL 955 Cb -0.05 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3h8m h VAL 955 CO -0.05 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.14 3h8m h ALA 956 N 0.97 2.43 -0.38 1.67 0.00 -0.85 0.26 119.26 123.35 3h8m h ALA 956 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h8m h ALA 956 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h8m h ALA 956 CO -0.01 -0.83 0.00 0.54 0.00 0.00 0.00 179.25 178.95 3h8m n ARG 957 N -3.97 2.04 -2.92 0.00 1.74 -1.02 -4.45 116.66 108.08 3h8m n ARG 957 Ca 0.12 -1.59 -0.33 0.00 -0.77 0.00 0.00 57.85 55.27 3h8m n ARG 957 Cb 0.75 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.49 4.21 0.46 5.56 -1.94 0.08 -5.08 119.30 121.09 3h8m s MET 958 Ca 0.32 1.00 0.07 0.00 -1.71 0.00 0.00 55.69 55.38 3h8m s MET 958 Cb 0.17 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 3h8m s MET 958 CO 0.23 0.08 0.37 0.95 -0.01 0.00 0.00 175.02 176.65 3h8m s THR 959 N -2.02 2.32 0.44 2.05 -4.23 -1.26 -4.98 115.64 107.95 3h8m s THR 959 Ca 0.57 -1.42 0.11 0.00 -1.18 0.00 0.00 61.69 59.77 3h8m s THR 959 Cb -0.11 -2.74 0.29 0.00 1.34 0.00 0.00 72.50 71.28 3h8m s THR 959 CO 0.16 0.00 2.05 -0.29 -0.54 0.00 0.00 174.62 176.00 3h8m h ILE 960 N 0.98 1.01 -0.40 2.99 6.09 -1.99 -0.57 117.51 125.63 3h8m h ILE 960 Ca -0.40 -0.14 -0.06 0.00 -1.37 0.00 0.00 64.86 62.89 3h8m h ILE 960 Cb 1.27 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 3h8m h ILE 960 CO 0.59 0.07 0.01 -0.33 -3.07 0.00 0.00 178.15 175.42 3h8m h GLU 961 N 0.40 0.70 -0.47 2.19 3.07 -1.99 0.06 114.58 118.54 3h8m h GLU 961 Ca 0.17 -0.22 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3h8m h GLU 961 Cb 0.17 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3h8m h GLU 961 CO -0.04 0.78 0.28 -0.44 -1.40 0.00 0.00 179.01 178.19 3h8m h ASP 962 N 0.53 0.46 -0.43 1.42 3.32 -1.62 -1.33 116.42 118.76 3h8m h ASP 962 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h8m h ASP 962 Cb 0.46 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3h8m h ASP 962 CO 0.02 0.33 0.25 0.58 -1.72 0.00 0.00 179.24 178.70 3h8m h VAL 963 N 0.57 1.14 0.00 -1.35 2.07 -0.88 -2.62 116.25 115.18 3h8m h VAL 963 Ca 0.18 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3h8m h VAL 963 Cb 0.00 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3h8m h VAL 963 CO -0.08 0.15 -0.42 0.24 0.02 0.00 0.00 177.57 177.48 3h8m h MET 964 N 0.57 0.00 0.00 1.57 2.86 -0.81 -1.98 114.93 117.14 3h8m h MET 964 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3h8m h MET 964 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3h8m h MET 964 CO -0.03 0.42 0.00 -1.13 1.06 0.00 0.00 176.91 177.23 3h8m n SER 965 N -3.87 0.00 -0.09 1.22 3.41 -0.52 -2.38 113.62 111.39 3h8m n SER 965 Ca -0.01 -0.35 0.14 0.00 -0.26 0.00 0.00 58.87 58.39 3h8m n SER 965 Cb 0.47 -0.13 0.68 0.00 -0.26 0.00 0.00 64.21 64.97 3h8m n SER 965 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h8m n LEU 966 N -1.13 0.34 -0.08 1.04 4.77 -0.74 -4.91 117.00 116.30 3h8m n LEU 966 Ca 0.13 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 3h8m n LEU 966 Cb 0.11 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3h8m n LEU 966 CO 0.13 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 176.85 3h8m n GLY 967 N 1.25 0.49 3.65 -0.72 0.00 -1.00 -4.81 105.19 104.05 3h8m n GLY 967 Ca 0.15 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.01 4.64 -0.19 -0.61 1.01 -1.26 -4.91 121.20 117.87 3h8m s ILE 968 Ca 0.00 1.94 0.05 0.00 0.00 0.00 0.00 60.65 62.64 3h8m s ILE 968 Cb 0.00 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 37.99 3h8m s ILE 968 CO 0.00 -0.26 -0.11 0.35 0.00 0.00 0.00 174.94 174.92 3h8m n THR 969 N 5.47 1.13 -1.88 2.92 -2.24 -1.26 -4.81 114.28 113.61 3h8m n THR 969 Ca 0.12 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3h8m n THR 969 Cb 0.46 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 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 -5.86 4.37 0.22 3.22 1.43 -1.26 -4.92 118.68 115.88 3h8m s LEU 970 Ca -0.21 2.45 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3h8m s LEU 970 Cb 0.06 -3.54 0.20 0.00 0.03 0.00 0.00 46.19 42.94 3h8m s LEU 970 CO 0.52 -0.95 1.89 0.58 0.23 0.00 0.00 176.35 178.61 3h8m h VAL 971 N 5.34 1.18 -0.94 -1.59 2.07 -1.99 -1.13 116.25 119.19 3h8m h VAL 971 Ca -0.43 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3h8m h VAL 971 Cb 1.20 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3h8m h VAL 971 CO 0.94 0.20 0.62 1.23 0.02 0.00 0.00 177.57 180.58 3h8m h GLY 972 N 1.07 1.34 0.79 2.17 0.00 -1.99 -0.68 103.07 105.78 3h8m h GLY 972 Ca 0.31 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3h8m h GLY 972 CO -0.08 0.46 -0.09 0.45 0.00 0.00 0.00 176.54 177.28 3h8m h HIS 973 N 1.25 0.45 -0.52 5.60 -0.00 -1.77 0.38 115.15 120.54 3h8m h HIS 973 Ca 0.36 -0.11 0.10 0.00 -0.00 0.00 0.00 60.37 60.71 3h8m h HIS 973 Cb -0.09 -0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 27.13 3h8m h HIS 973 CO -0.00 0.69 0.07 1.96 -0.00 0.00 0.00 177.93 180.64 3h8m h GLN 974 N 0.09 0.19 -0.15 2.45 4.20 -1.02 0.65 115.11 121.52 3h8m h GLN 974 Ca 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3h8m h GLN 974 Cb 0.56 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3h8m h GLN 974 CO 0.03 0.12 0.07 0.87 -0.67 0.00 0.00 178.83 179.25 3h8m h LYS 975 N 0.19 0.21 -0.37 1.46 1.57 -0.99 0.20 116.57 118.84 3h8m h LYS 975 Ca 0.26 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3h8m h LYS 975 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3h8m h LYS 975 CO -0.38 0.25 0.23 -0.22 -0.57 0.00 0.00 179.45 178.76 3h8m h LYS 976 N 0.12 0.46 -0.42 3.15 1.63 -0.57 -0.23 116.57 120.71 3h8m h LYS 976 Ca 0.05 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3h8m h LYS 976 Cb 0.11 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3h8m h LYS 976 CO -0.01 0.30 0.23 0.82 -3.45 0.00 0.00 179.45 177.34 3h8m h ILE 977 N 0.47 1.16 -0.55 2.00 2.04 -0.72 -1.67 117.51 120.24 3h8m h ILE 977 Ca 0.14 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3h8m h ILE 977 Cb -0.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3h8m h ILE 977 CO -0.05 0.17 0.19 0.24 0.00 0.00 0.00 178.15 178.69 3h8m h MET 978 N 0.54 0.84 -0.35 2.37 2.86 -0.63 0.13 114.93 120.70 3h8m h MET 978 Ca 0.15 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3h8m h MET 978 Cb 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3h8m h MET 978 CO -0.02 0.76 -0.13 1.03 1.06 0.00 0.00 176.91 179.60 3h8m h SER 979 N 0.76 0.60 -0.42 1.22 0.87 -0.98 -1.15 113.55 114.46 3h8m h SER 979 Ca 0.18 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3h8m h SER 979 Cb 0.25 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3h8m h SER 979 CO -0.01 0.76 -0.11 -1.28 -0.53 0.00 0.00 176.83 175.66 3h8m h SER 980 N 0.56 0.82 -0.72 6.23 0.87 -0.86 -2.58 113.55 117.87 3h8m h SER 980 Ca 0.10 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 3h8m h SER 980 Cb 0.55 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3h8m h SER 980 CO 0.03 0.99 0.33 0.40 -0.53 0.00 0.00 176.83 178.06 3h8m h ILE 981 N 0.63 1.24 -0.11 2.23 2.04 -0.70 -1.25 117.51 121.59 3h8m h ILE 981 Ca 0.10 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.30 3h8m h ILE 981 Cb 0.64 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3h8m h ILE 981 CO 0.04 0.29 -0.08 1.56 0.00 0.00 0.00 178.15 179.96 3h8m h GLN 982 N 1.01 -0.08 -0.52 2.37 4.20 -1.13 0.22 115.11 121.17 3h8m h GLN 982 Ca 0.24 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3h8m h GLN 982 Cb 0.14 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3h8m h GLN 982 CO -0.03 -0.05 0.31 1.15 -0.67 0.00 0.00 178.83 179.54 3h8m h THR 983 N -0.08 1.16 -0.37 -0.54 2.02 -1.28 -1.56 112.91 112.26 3h8m h THR 983 Ca 0.07 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3h8m h THR 983 Cb 0.18 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3h8m h THR 983 CO -0.16 0.16 0.19 -0.03 0.37 0.00 0.00 175.52 176.05 3h8m h MET 984 N 0.70 0.53 -0.38 6.66 1.85 -0.88 -1.44 114.93 121.97 3h8m h MET 984 Ca 0.19 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.24 3h8m h MET 984 Cb -0.01 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.89 3h8m h MET 984 CO -0.04 0.46 0.18 -0.09 -0.40 0.00 0.00 176.91 177.02 3h8m h ARG 985 N 0.47 0.35 -0.17 0.39 2.43 -0.45 -0.41 114.38 117.00 3h8m h ARG 985 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3h8m h ARG 985 Cb 0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3h8m h ARG 985 CO -0.02 0.23 0.10 0.00 -1.51 0.00 0.00 179.97 178.78 3h8m h ALA 986 N 1.21 0.21 -0.06 2.80 0.00 -0.93 0.45 119.26 122.94 3h8m h ALA 986 Ca 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3h8m h ALA 986 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h8m h ALA 986 CO -0.13 -0.32 -0.41 1.96 0.00 0.00 0.00 179.25 180.35 3h8m h GLN 987 N 0.21 0.13 0.04 0.00 4.20 -1.11 -1.74 115.11 116.85 3h8m h GLN 987 Ca 0.06 -0.06 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 3h8m h GLN 987 Cb -0.01 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3h8m h GLN 987 CO -0.03 0.52 -2.26 -1.33 -0.67 0.00 0.00 178.83 175.06 3h8m n MET 988 N -4.04 0.69 -0.00 1.46 2.81 -0.18 -4.74 117.12 113.12 3h8m n MET 988 Ca -0.02 0.18 0.05 0.00 -1.81 0.00 0.00 57.70 56.10 3h8m n MET 988 Cb 0.46 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.29 3h8m n MET 988 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3h8m n LEU 989 N -3.25 0.10 -0.63 4.03 4.32 0.16 -5.07 117.00 116.66 3h8m n LEU 989 Ca -0.38 -0.11 0.08 0.00 -0.02 0.00 0.00 56.01 55.58 3h8m n LEU 989 Cb 1.03 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.90 3h8m n LEU 989 CO 0.35 0.03 0.50 1.41 -1.22 0.00 0.00 177.39 178.45