#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm n ALA 916 N 0.00 0.57 -2.08 3.04 0.00 -1.26 -4.76 120.51 116.02 1ktm n ALA 916 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 1ktm n ALA 916 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 1ktm n ALA 916 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ktm n ASN 917 N 8.38 3.87 -3.97 0.00 3.02 -1.26 -4.85 115.26 120.46 1ktm n ASN 917 Ca 0.45 -2.81 -0.31 0.00 -0.03 0.00 0.00 54.58 51.89 1ktm n ASN 917 Cb 0.11 -1.64 -0.15 0.00 -0.61 0.00 0.00 39.78 37.48 1ktm n ASN 917 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ktm s LEU 918 N 5.44 2.89 0.00 3.41 1.02 -1.26 -5.12 118.68 125.06 1ktm s LEU 918 Ca 0.57 -1.30 -0.10 0.00 0.02 0.00 0.00 54.13 53.33 1ktm s LEU 918 Cb 0.06 -1.28 0.15 0.00 0.02 0.00 0.00 46.19 45.14 1ktm s LEU 918 CO 0.07 -0.24 0.34 0.47 0.02 0.00 0.00 176.35 177.02 1ktm n ASP 919 N 4.60 -2.67 -2.37 2.29 8.00 -1.26 -4.74 116.55 120.39 1ktm n ASP 919 Ca -0.11 -0.34 -0.20 0.00 0.71 0.00 0.00 54.79 54.84 1ktm n ASP 919 Cb 0.43 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1ktm n ASP 919 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ktm n ARG 920 N -2.83 2.48 0.00 -1.24 1.74 -1.26 -4.53 116.66 111.02 1ktm n ARG 920 Ca 0.05 -1.56 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 1ktm n ARG 920 Cb 0.24 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1ktm n ARG 920 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ktm n SER 921 N 2.34 0.00 0.00 0.55 7.64 -1.26 -3.57 113.62 119.32 1ktm n SER 921 Ca 0.51 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.46 1ktm n SER 921 Cb 0.71 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.26 1ktm n SER 921 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ktm n ASN 922 N -0.31 0.00 -0.01 6.43 6.94 -1.26 -2.43 115.26 124.62 1ktm n ASN 922 Ca 0.00 0.37 -0.16 0.00 -0.02 0.00 0.00 54.58 54.77 1ktm n ASN 922 Cb 0.00 -0.44 -0.11 0.00 -2.36 0.00 0.00 39.78 36.87 1ktm n ASN 922 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1ktm h ASP 923 N 0.00 0.37 0.36 0.53 3.58 -1.80 -2.14 116.42 117.33 1ktm h ASP 923 Ca 0.00 -0.78 -0.02 0.00 0.42 0.00 0.00 57.03 56.65 1ktm h ASP 923 Cb 0.23 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1ktm h ASP 923 CO 0.00 1.10 -0.17 0.50 -2.88 0.00 0.00 179.24 177.79 1ktm h LYS 924 N -0.32 -0.47 -0.30 0.28 3.64 -1.53 0.34 116.57 118.21 1ktm h LYS 924 Ca -0.05 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1ktm h LYS 924 Cb 1.17 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 1ktm h LYS 924 CO 0.08 -0.20 -0.32 0.28 -2.27 0.00 0.00 179.45 177.02 1ktm h VAL 925 N -0.67 0.26 -0.11 2.00 2.07 -1.64 1.41 116.25 119.56 1ktm h VAL 925 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1ktm h VAL 925 Cb 0.48 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ktm h VAL 925 CO 0.08 0.00 0.00 1.88 0.02 0.00 0.00 177.57 179.56 1ktm h TYR 926 N -0.30 0.16 0.35 1.57 -1.99 -1.31 -0.49 116.97 114.96 1ktm h TYR 926 Ca 0.14 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1ktm h TYR 926 Cb 0.53 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1ktm h TYR 926 CO -0.49 0.17 -0.17 0.93 -0.00 0.00 0.00 178.16 178.60 1ktm h GLU 927 N 0.16 -0.45 -0.29 4.88 4.39 0.33 -2.54 114.58 121.06 1ktm h GLU 927 Ca 0.04 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1ktm h GLU 927 Cb 0.11 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1ktm h GLU 927 CO 0.00 -0.30 0.41 -0.97 -1.16 0.00 0.00 179.01 177.00 1ktm h ASN 928 N -1.11 0.00 -0.13 1.42 -0.73 0.18 1.14 115.58 116.35 1ktm h ASN 928 Ca -0.05 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.91 1ktm h ASN 928 Cb 0.36 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.95 1ktm h ASN 928 CO 0.08 0.00 -0.72 0.58 -0.37 0.00 0.00 177.43 176.99 1ktm h VAL 929 N 0.00 1.29 0.00 2.57 2.07 -1.04 -2.42 116.25 118.72 1ktm h VAL 929 Ca 0.14 -1.94 -0.22 0.00 0.82 0.00 0.00 66.70 65.50 1ktm h VAL 929 Cb 0.96 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1ktm h VAL 929 CO -0.00 0.61 -1.17 0.71 0.02 0.00 0.00 177.57 177.75 1ktm h THR 930 N 0.54 1.28 0.86 2.57 1.35 0.85 -2.90 112.91 117.46 1ktm h THR 930 Ca -0.04 -2.98 -0.04 0.00 -0.55 0.00 0.00 66.41 62.81 1ktm h THR 930 Cb 1.34 2.62 0.01 0.00 -1.73 0.00 0.00 68.15 70.39 1ktm h THR 930 CO 0.15 0.73 -0.41 1.23 -0.25 0.00 0.00 175.52 176.97 1ktm h GLY 931 N 3.25 -1.20 1.02 5.82 0.00 0.94 1.63 103.07 114.52 1ktm h GLY 931 Ca -0.10 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1ktm h GLY 931 CO 0.10 -0.44 0.59 0.17 0.00 0.00 0.00 176.54 176.96 1ktm h LEU 932 N -1.27 1.12 -0.28 3.11 -0.00 -1.59 0.05 115.31 116.44 1ktm h LEU 932 Ca -0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 1ktm h LEU 932 Cb 0.88 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1ktm h LEU 932 CO 0.19 0.84 0.04 0.58 -0.00 0.00 0.00 178.44 180.10 1ktm h VAL 933 N 1.29 1.23 -0.36 0.15 2.07 -1.43 1.01 116.25 120.22 1ktm h VAL 933 Ca 0.34 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ktm h VAL 933 Cb -0.09 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1ktm h VAL 933 CO -0.07 0.26 0.05 0.11 0.02 0.00 0.00 177.57 177.95 1ktm h LYS 934 N 0.29 0.16 -0.23 1.57 1.57 0.30 -2.06 116.57 118.18 1ktm h LYS 934 Ca 0.09 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1ktm h LYS 934 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ktm h LYS 934 CO 0.01 0.11 -0.13 0.00 -0.57 0.00 0.00 179.45 178.87 1ktm h ALA 935 N 1.28 0.32 -0.88 3.86 0.00 -0.81 -1.17 119.26 121.86 1ktm h ALA 935 Ca 0.17 -0.31 0.34 0.00 0.00 0.00 0.00 54.91 55.11 1ktm h ALA 935 Cb 0.21 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.76 1ktm h ALA 935 CO -0.24 0.19 0.35 0.28 0.00 0.00 0.00 179.25 179.83 1ktm n VAL 936 N -4.50 -0.37 -0.02 0.00 0.31 0.35 0.22 118.33 114.32 1ktm n VAL 936 Ca -0.04 1.83 -0.01 0.00 -0.01 0.00 0.00 64.34 66.11 1ktm n VAL 936 Cb 0.35 -2.89 -0.00 0.00 -0.91 0.00 0.00 33.84 30.39 1ktm n VAL 936 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ktm h ILE 937 N 0.00 0.00 -0.84 2.52 2.04 -1.28 -3.36 117.51 116.58 1ktm h ILE 937 Ca 0.69 -0.28 0.30 0.00 1.00 0.00 0.00 64.86 66.57 1ktm h ILE 937 Cb 1.75 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.67 1ktm h ILE 937 CO -0.72 0.00 0.27 1.21 0.00 0.00 0.00 178.15 178.92 1ktm n GLU 938 N -2.85 -0.06 -0.18 2.37 4.07 -0.46 0.03 120.64 123.57 1ktm n GLU 938 Ca -0.01 1.20 -0.10 0.00 -0.06 0.00 0.00 57.16 58.19 1ktm n GLU 938 Cb 0.04 -2.05 -0.08 0.00 -0.06 0.00 0.00 31.44 29.29 1ktm n GLU 938 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1ktm h MET 939 N 0.00 -0.20 -1.00 5.31 2.86 0.24 1.39 114.93 123.53 1ktm h MET 939 Ca 0.63 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 58.50 1ktm h MET 939 Cb 1.54 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.14 1ktm h MET 939 CO -0.71 -0.13 0.62 1.03 1.06 0.00 0.00 176.91 178.78 1ktm h SER 940 N -0.21 0.65 -0.13 1.22 0.87 -0.55 1.64 113.55 117.04 1ktm h SER 940 Ca 0.08 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1ktm h SER 940 Cb 0.41 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1ktm h SER 940 CO -0.54 0.18 -0.07 0.77 -0.53 0.00 0.00 176.83 176.64 1ktm h SER 941 N 0.61 0.29 -0.31 6.23 4.64 -0.01 -2.68 113.55 122.31 1ktm h SER 941 Ca 0.59 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1ktm h SER 941 Cb 1.14 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1ktm h SER 941 CO -0.37 0.64 0.02 2.29 -0.87 0.00 0.00 176.83 178.55 1ktm n LYS 942 N -4.67 2.96 -0.07 4.77 2.85 0.43 -4.10 118.16 120.34 1ktm n LYS 942 Ca -0.06 -1.64 -0.06 0.00 -1.05 0.00 0.00 58.31 55.50 1ktm n LYS 942 Cb 0.29 -1.89 -0.02 0.00 -0.65 0.00 0.00 35.03 32.76 1ktm n LYS 942 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ktm n ILE 943 N 0.28 1.20 -0.24 0.58 5.41 0.53 -3.25 119.36 123.88 1ktm n ILE 943 Ca 0.16 0.23 0.03 0.00 1.00 0.00 0.00 62.75 64.16 1ktm n ILE 943 Cb 0.77 -2.21 0.12 0.00 -0.71 0.00 0.00 39.64 37.62 1ktm n ILE 943 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ktm h GLN 944 N -0.82 0.08 0.00 0.38 4.20 -1.69 1.09 115.11 118.35 1ktm h GLN 944 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ktm h GLN 944 Cb 0.67 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1ktm h GLN 944 CO 0.00 0.05 0.00 -0.35 -0.67 0.00 0.00 178.83 177.86 1ktm n PRO 945 N -5.36 0.19 -3.24 1.46 -0.04 -1.26 -4.72 135.00 122.03 1ktm n PRO 945 Ca 0.11 0.29 -0.39 0.00 -0.04 0.00 0.00 63.50 63.47 1ktm n PRO 945 Cb 0.42 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1ktm n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ktm s ALA 946 N -3.18 3.50 1.05 0.55 0.00 0.38 -5.07 121.76 118.99 1ktm s ALA 946 Ca 0.08 -0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1ktm s ALA 946 Cb 0.11 -2.70 0.22 0.00 0.00 0.00 0.00 23.12 20.75 1ktm s ALA 946 CO 0.48 0.18 1.20 -1.25 0.00 0.00 0.00 175.76 176.37 1ktm s PRO 947 N -0.22 0.01 0.47 0.00 0.04 -1.26 -4.82 135.00 129.22 1ktm s PRO 947 Ca 0.30 -0.14 0.27 0.00 0.04 0.00 0.00 61.00 61.47 1ktm s PRO 947 Cb -0.18 -1.75 0.80 0.00 0.04 0.00 0.00 34.50 33.41 1ktm s PRO 947 CO 0.16 -2.88 1.77 -1.00 0.04 0.00 0.00 177.00 175.10 1ktm h PRO 948 N -1.98 0.00 0.00 0.56 0.13 -1.97 0.03 132.00 128.77 1ktm h PRO 948 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ktm h PRO 948 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ktm h PRO 948 CO 0.41 0.07 -0.24 0.39 -0.23 0.00 0.00 178.00 178.41 1ktm n GLU 949 N -3.15 0.06 0.00 0.86 1.02 -1.26 -3.06 120.64 115.11 1ktm n GLU 949 Ca 0.02 0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 1ktm n GLU 949 Cb 0.45 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1ktm n GLU 949 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ktm n GLU 950 N -1.65 1.76 -0.03 3.49 4.07 -1.01 -4.63 120.64 122.64 1ktm n GLU 950 Ca 0.06 -0.47 -0.21 0.00 -0.06 0.00 0.00 57.16 56.48 1ktm n GLU 950 Cb 0.36 -0.93 -0.13 0.00 -0.06 0.00 0.00 31.44 30.68 1ktm n GLU 950 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1ktm n TYR 951 N -0.24 1.00 -0.22 4.31 9.36 -0.03 -2.71 117.16 128.62 1ktm n TYR 951 Ca 0.02 0.23 0.02 0.00 3.32 0.00 0.00 57.90 61.49 1ktm n TYR 951 Cb 0.08 -1.13 0.12 0.00 -0.63 0.00 0.00 39.34 37.78 1ktm n TYR 951 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ktm h VAL 952 N -0.07 0.46 0.03 2.97 2.07 -1.80 -1.87 116.25 118.03 1ktm h VAL 952 Ca -0.45 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ktm h VAL 952 Cb 1.93 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1ktm h VAL 952 CO 0.02 0.02 -0.01 1.55 0.02 0.00 0.00 177.57 179.17 1ktm h PRO 953 N 0.13 -0.03 -0.68 1.57 0.13 -1.84 -3.05 132.00 128.23 1ktm h PRO 953 Ca 0.35 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.60 1ktm h PRO 953 Cb 0.59 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.61 1ktm h PRO 953 CO -0.56 0.65 -0.22 -0.12 -0.23 0.00 0.00 178.00 177.51 1ktm n MET 954 N -4.76 -0.12 0.03 0.86 1.56 -0.88 0.17 117.12 113.98 1ktm n MET 954 Ca -0.09 1.05 -0.13 0.00 -0.27 0.00 0.00 57.70 58.27 1ktm n MET 954 Cb 0.34 -1.56 -0.09 0.00 2.15 0.00 0.00 33.22 34.06 1ktm n MET 954 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 1ktm h VAL 955 N 0.00 1.16 -1.44 1.12 3.04 -1.46 -2.54 116.25 116.12 1ktm h VAL 955 Ca 0.27 -0.64 0.49 0.00 -1.01 0.00 0.00 66.70 65.81 1ktm h VAL 955 Cb 0.44 1.59 -0.13 0.00 -2.01 0.00 0.00 31.29 31.18 1ktm h VAL 955 CO -0.68 0.16 0.94 0.50 -1.01 0.00 0.00 177.57 177.48 1ktm h LYS 956 N -0.33 0.01 0.23 4.17 1.63 0.18 0.91 116.57 123.36 1ktm h LYS 956 Ca -0.01 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1ktm h LYS 956 Cb 0.31 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1ktm h LYS 956 CO 0.01 0.00 -0.11 1.49 -3.45 0.00 0.00 179.45 177.39 1ktm h GLU 957 N 0.01 -0.30 -0.94 1.90 4.22 -0.65 -2.83 114.58 115.99 1ktm h GLU 957 Ca 0.89 0.02 0.26 0.00 0.08 0.00 0.00 59.36 60.61 1ktm h GLU 957 Cb 2.93 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 32.11 1ktm h GLU 957 CO -0.42 0.08 0.41 -0.24 -2.18 0.00 0.00 179.01 176.65 1ktm h VAL 958 N -0.82 0.35 -0.58 0.32 3.04 0.98 0.67 116.25 120.22 1ktm h VAL 958 Ca -0.03 -0.11 0.02 0.00 -1.01 0.00 0.00 66.70 65.57 1ktm h VAL 958 Cb 0.51 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.77 1ktm h VAL 958 CO 0.05 0.06 0.37 1.23 -1.01 0.00 0.00 177.57 178.27 1ktm h GLY 959 N 0.31 0.82 0.99 3.17 0.00 -1.08 -1.07 103.07 106.21 1ktm h GLY 959 Ca 0.63 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1ktm h GLY 959 CO -0.61 0.27 -0.05 -2.00 0.00 0.00 0.00 176.54 174.15 1ktm h LEU 960 N 0.75 -0.11 -0.47 3.11 6.46 0.52 0.23 115.31 125.80 1ktm h LEU 960 Ca 0.22 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1ktm h LEU 960 Cb -0.04 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.83 1ktm h LEU 960 CO -0.07 -0.08 -0.11 0.00 -0.62 0.00 0.00 178.44 177.56 1ktm h ALA 961 N 0.79 0.32 0.01 1.25 0.00 -0.74 0.16 119.26 121.06 1ktm h ALA 961 Ca -0.01 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ktm h ALA 961 Cb 0.10 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ktm h ALA 961 CO 0.01 -0.44 -0.18 -0.07 0.00 0.00 0.00 179.25 178.57 1ktm h LEU 962 N 0.00 -0.53 -0.27 0.00 3.38 -0.79 -1.40 115.31 115.70 1ktm h LEU 962 Ca 0.23 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1ktm h LEU 962 Cb 0.35 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1ktm h LEU 962 CO -0.48 -0.25 -0.37 -0.09 0.09 0.00 0.00 178.44 177.34 1ktm h ARG 963 N -0.30 -0.35 -0.96 1.13 9.65 0.50 0.30 114.38 124.35 1ktm h ARG 963 Ca 0.05 0.02 0.24 0.00 -1.10 0.00 0.00 59.98 59.19 1ktm h ARG 963 Cb 0.37 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.96 1ktm h ARG 963 CO -0.16 -0.23 0.64 1.15 2.80 0.00 0.00 179.97 184.17 1ktm h THR 964 N -0.36 0.60 -0.09 0.20 2.02 -0.34 0.89 112.91 115.83 1ktm h THR 964 Ca 0.12 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1ktm h THR 964 Cb 0.57 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1ktm h THR 964 CO -0.47 0.05 -0.14 0.25 0.37 0.00 0.00 175.52 175.59 1ktm h LEU 965 N 0.30 -0.43 -0.81 2.58 5.85 0.70 0.51 115.31 124.01 1ktm h LEU 965 Ca 0.50 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.48 1ktm h LEU 965 Cb 1.43 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.54 1ktm h LEU 965 CO -0.16 -0.19 0.25 -0.07 -0.34 0.00 0.00 178.44 177.93 1ktm h LEU 966 N -0.19 0.11 0.42 2.25 -0.00 -0.51 1.02 115.31 118.40 1ktm h LEU 966 Ca 0.08 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 1ktm h LEU 966 Cb 0.30 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1ktm h LEU 966 CO -0.20 -0.04 -0.20 0.00 -0.00 0.00 0.00 178.44 178.00 1ktm h ALA 967 N 1.66 -0.80 -0.95 1.53 0.00 -1.06 -2.49 119.26 117.16 1ktm h ALA 967 Ca 0.48 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.55 1ktm h ALA 967 Cb 0.86 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1ktm h ALA 967 CO -0.53 -0.76 0.37 1.79 0.00 0.00 0.00 179.25 180.12 1ktm h THR 968 N -0.79 0.25 -0.39 0.00 1.35 0.65 0.77 112.91 114.76 1ktm h THR 968 Ca -0.06 -0.07 0.06 0.00 -0.55 0.00 0.00 66.41 65.79 1ktm h THR 968 Cb 0.43 0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.82 1ktm h THR 968 CO 0.09 0.04 0.09 0.58 -0.25 0.00 0.00 175.52 176.08 1ktm h VAL 969 N 0.21 0.82 -0.17 6.82 2.07 0.11 0.37 116.25 126.49 1ktm h VAL 969 Ca 0.65 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 68.14 1ktm h VAL 969 Cb 1.44 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1ktm h VAL 969 CO -0.68 0.04 0.38 -0.78 0.02 0.00 0.00 177.57 176.56 1ktm h ASP 970 N 0.23 0.00 1.86 0.57 1.82 0.10 1.65 116.42 122.65 1ktm h ASP 970 Ca 0.18 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1ktm h ASP 970 Cb 0.20 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 1ktm h ASP 970 CO -0.23 0.00 -0.13 -0.08 -1.61 0.00 0.00 179.24 177.19 1ktm h GLU 971 N 0.00 0.00 0.00 0.28 4.81 0.09 -3.07 114.58 116.69 1ktm h GLU 971 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ktm h GLU 971 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1ktm h GLU 971 CO -0.00 0.13 -0.70 0.66 -0.73 0.00 0.00 179.01 178.37 1ktm h SER 972 N 0.00 0.00 -0.06 1.04 4.64 0.27 -3.22 113.55 116.22 1ktm h SER 972 Ca -0.00 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 1ktm h SER 972 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1ktm h SER 972 CO 0.02 0.11 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.98 1ktm h LEU 973 N 0.00 -0.12 -0.05 5.97 3.38 -1.23 0.19 115.31 123.45 1ktm h LEU 973 Ca 0.00 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1ktm h LEU 973 Cb 0.76 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ktm h LEU 973 CO 0.00 -0.05 -0.91 1.55 0.09 0.00 0.00 178.44 179.12 1ktm h PRO 974 N -0.04 0.71 -0.08 1.13 0.13 -1.71 -3.05 132.00 129.08 1ktm h PRO 974 Ca 0.04 -0.69 0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1ktm h PRO 974 Cb 0.10 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 1ktm h PRO 974 CO -0.08 1.28 0.09 0.28 -0.23 0.00 0.00 178.00 179.34 1ktm h VAL 975 N 0.39 0.53 -1.91 1.56 2.07 -1.53 -3.41 116.25 113.95 1ktm h VAL 975 Ca -0.10 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 66.93 1ktm h VAL 975 Cb 1.56 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1ktm h VAL 975 CO 0.18 0.00 -0.46 -0.76 0.02 0.00 0.00 177.57 176.56 1ktm s LEU 976 N -7.74 3.67 1.12 2.57 2.01 0.65 -4.99 118.68 115.96 1ktm s LEU 976 Ca -0.05 -0.42 -0.19 0.00 0.01 0.00 0.00 54.13 53.48 1ktm s LEU 976 Cb 0.15 -2.28 0.26 0.00 0.01 0.00 0.00 46.19 44.34 1ktm s LEU 976 CO 0.56 -0.30 1.24 -2.16 1.01 0.00 0.00 176.35 176.70 1ktm s PRO 977 N -3.98 -0.57 -0.54 1.29 0.04 -1.26 -4.83 135.00 125.15 1ktm s PRO 977 Ca 0.40 -0.36 -0.07 0.00 0.04 0.00 0.00 61.00 61.01 1ktm s PRO 977 Cb -0.06 -1.70 -0.17 0.00 0.04 0.00 0.00 34.50 32.60 1ktm s PRO 977 CO 0.27 -3.23 3.02 0.00 0.04 0.00 0.00 177.00 177.09 1ktm n ALA 978 N -4.36 6.06 -0.84 8.56 0.00 -1.26 -3.19 120.51 125.49 1ktm n ALA 978 Ca 0.16 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1ktm n ALA 978 Cb 0.59 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1ktm n ALA 978 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ktm n SER 979 N 3.03 0.29 -1.99 0.00 2.88 -1.26 -4.80 113.62 111.76 1ktm n SER 979 Ca 0.49 -1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 56.67 1ktm n SER 979 Cb 0.57 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1ktm n SER 979 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ktm n THR 980 N -0.06 2.63 0.00 2.46 -2.24 -1.19 -4.77 114.28 111.10 1ktm n THR 980 Ca 0.00 -4.04 0.00 0.00 -2.27 0.00 0.00 64.05 57.74 1ktm n THR 980 Cb 0.40 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1ktm n THR 980 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ktm n HIS 981 N -0.75 0.00 -0.45 4.78 8.25 -1.26 -3.45 115.22 122.33 1ktm n HIS 981 Ca 0.45 0.00 0.38 0.00 -0.26 0.00 0.00 57.72 58.29 1ktm n HIS 981 Cb 0.93 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.74 1ktm n HIS 981 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ktm h ARG 982 N 0.00 0.09 -0.69 -0.41 2.43 -1.97 1.27 114.38 115.10 1ktm h ARG 982 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ktm h ARG 982 Cb 0.00 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1ktm h ARG 982 CO 0.00 0.06 0.42 0.93 -1.51 0.00 0.00 179.97 179.86 1ktm h GLU 983 N 0.09 0.94 -0.14 0.20 5.08 -1.86 0.68 114.58 119.58 1ktm h GLU 983 Ca 0.75 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.81 1ktm h GLU 983 Cb 2.61 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.66 1ktm h GLU 983 CO -0.20 0.67 -0.75 0.82 -1.00 0.00 0.00 179.01 178.56 1ktm h ILE 984 N 0.94 1.31 0.00 3.13 1.08 0.15 -2.73 117.51 121.40 1ktm h ILE 984 Ca 0.25 -2.01 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 1ktm h ILE 984 Cb -0.03 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1ktm h ILE 984 CO -0.05 0.63 -0.31 -0.33 -0.69 0.00 0.00 178.15 177.41 1ktm h GLU 985 N 0.46 0.00 -0.20 2.37 5.08 -0.53 0.18 114.58 121.94 1ktm h GLU 985 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1ktm h GLU 985 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ktm h GLU 985 CO 0.15 0.31 -0.32 0.52 -1.00 0.00 0.00 179.01 178.66 1ktm h MET 986 N 0.00 0.58 0.00 2.33 2.86 0.53 0.14 114.93 121.36 1ktm h MET 986 Ca -0.00 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1ktm h MET 986 Cb 0.65 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1ktm h MET 986 CO 0.04 0.95 -0.00 0.00 1.06 0.00 0.00 176.91 178.96 1ktm h ALA 987 N 0.62 1.00 0.02 6.32 0.00 -1.28 -2.87 119.26 123.06 1ktm h ALA 987 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ktm h ALA 987 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ktm h ALA 987 CO 0.07 0.00 -0.01 1.96 0.00 0.00 0.00 179.25 181.28 1ktm h GLN 988 N 0.00 -0.02 -0.83 0.00 1.08 -0.51 -2.00 115.11 112.82 1ktm h GLN 988 Ca -0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1ktm h GLN 988 Cb 1.00 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.39 1ktm h GLN 988 CO 0.00 0.72 0.55 -0.22 -0.95 0.00 0.00 178.83 178.93 1ktm h LYS 989 N -0.85 1.06 0.08 1.46 3.64 -1.04 -2.15 116.57 118.77 1ktm h LYS 989 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ktm h LYS 989 Cb 0.76 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ktm h LYS 989 CO 0.00 0.70 -0.04 1.25 -2.27 0.00 0.00 179.45 179.09 1ktm h LEU 990 N 1.09 -0.09 -0.13 5.20 6.46 -1.57 0.79 115.31 127.06 1ktm h LEU 990 Ca 0.32 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1ktm h LEU 990 Cb -0.06 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1ktm h LEU 990 CO -0.08 0.09 -0.16 0.25 -0.62 0.00 0.00 178.44 177.92 1ktm h LEU 991 N -0.28 -0.55 0.05 2.25 5.85 -0.74 1.26 115.31 123.15 1ktm h LEU 991 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ktm h LEU 991 Cb 0.24 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1ktm h LEU 991 CO 0.02 -0.11 -0.45 -1.13 -0.34 0.00 0.00 178.44 176.43 1ktm h ASN 992 N -0.11 -1.37 -0.82 1.25 -0.73 -1.44 1.85 115.58 114.22 1ktm h ASN 992 Ca 0.02 0.15 0.08 0.00 1.87 0.00 0.00 56.30 58.42 1ktm h ASN 992 Cb 0.17 0.51 -0.10 0.00 0.27 0.00 0.00 38.32 39.17 1ktm h ASN 992 CO -0.18 -0.45 -0.54 -1.28 -0.37 0.00 0.00 177.43 174.61 1ktm h SER 993 N -0.60 -1.95 -0.89 1.15 0.87 -0.31 0.93 113.55 112.75 1ktm h SER 993 Ca 0.00 0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1ktm h SER 993 Cb 0.62 0.85 -0.05 0.00 -0.44 0.00 0.00 62.40 63.39 1ktm h SER 993 CO -0.27 -0.24 0.59 0.44 -0.53 0.00 0.00 176.83 176.81 1ktm h ASP 994 N -0.07 0.99 0.19 6.23 3.32 0.21 -1.30 116.42 125.99 1ktm h ASP 994 Ca 0.13 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ktm h ASP 994 Cb 0.41 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1ktm h ASP 994 CO -0.81 0.70 -0.42 0.25 -1.72 0.00 0.00 179.24 177.24 1ktm h LEU 995 N 1.16 -1.23 -0.59 1.55 5.85 0.97 0.90 115.31 123.91 1ktm h LEU 995 Ca 0.34 0.13 0.09 0.00 0.84 0.00 0.00 57.88 59.28 1ktm h LEU 995 Cb -0.06 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1ktm h LEU 995 CO -0.09 -0.51 0.21 0.00 -0.34 0.00 0.00 178.44 177.71 1ktm h ALA 996 N -0.27 0.74 -0.76 1.25 0.00 0.50 0.28 119.26 121.01 1ktm h ALA 996 Ca 0.01 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1ktm h ALA 996 Cb 0.70 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1ktm h ALA 996 CO -0.21 -0.21 0.51 1.49 0.00 0.00 0.00 179.25 180.83 1ktm h GLU 997 N 0.38 0.35 0.01 0.00 4.57 -0.26 0.49 114.58 120.12 1ktm h GLU 997 Ca 0.30 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1ktm h GLU 997 Cb 0.37 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ktm h GLU 997 CO -0.31 0.23 -0.01 1.25 -1.18 0.00 0.00 179.01 179.00 1ktm h LEU 998 N 0.36 -0.02 -0.28 1.64 6.46 0.19 -2.94 115.31 120.72 1ktm h LEU 998 Ca 0.37 -0.74 0.06 0.00 -0.12 0.00 0.00 57.88 57.46 1ktm h LEU 998 Cb 0.94 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.81 1ktm h LEU 998 CO -0.11 0.75 -0.11 0.40 -0.62 0.00 0.00 178.44 178.75 1ktm h ILE 999 N -0.81 0.63 -0.51 4.05 1.08 0.39 -0.65 117.51 121.70 1ktm h ILE 999 Ca -0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1ktm h ILE 999 Cb 0.75 0.63 -0.10 0.00 -3.07 0.00 0.00 36.82 35.04 1ktm h ILE 999 CO 0.00 0.00 -0.22 -1.13 -0.69 0.00 0.00 178.15 176.12 1ktm h ASN 1000N -0.06 -0.76 -0.50 1.72 -1.24 -0.16 1.03 115.58 115.62 1ktm h ASN 1000Ca 0.14 0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.42 1ktm h ASN 1000Cb 0.27 0.42 -0.07 0.00 0.73 0.00 0.00 38.32 39.67 1ktm h ASN 1000CO -0.32 -0.24 0.07 0.50 -1.29 0.00 0.00 177.43 176.15 1ktm h LYS 1001N -0.10 0.20 0.10 6.67 1.63 -1.06 -1.84 116.57 122.17 1ktm h LYS 1001Ca 0.24 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1ktm h LYS 1001Cb 0.47 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1ktm h LYS 1001CO -0.57 0.13 -0.05 1.98 -3.45 0.00 0.00 179.45 177.49 1ktm h MET 1002N 0.20 -0.13 -0.97 1.90 4.05 0.77 0.11 114.93 120.86 1ktm h MET 1002Ca 0.25 0.01 0.32 0.00 -0.28 0.00 0.00 59.70 60.00 1ktm h MET 1002Cb 0.35 0.03 -0.16 0.00 -0.80 0.00 0.00 31.60 31.02 1ktm h MET 1002CO -0.35 0.03 0.37 0.87 0.23 0.00 0.00 176.91 178.06 1ktm h LYS 1003N -0.27 0.12 0.07 0.39 1.57 0.17 1.59 116.57 120.21 1ktm h LYS 1003Ca -0.01 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 1ktm h LYS 1003Cb 0.22 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1ktm h LYS 1003CO 0.02 0.08 -1.11 -0.07 -0.57 0.00 0.00 179.45 177.81 1ktm h LEU 1004N 0.13 0.60 -1.83 2.94 3.38 -0.99 -3.04 115.31 116.49 1ktm h LEU 1004Ca 0.70 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1ktm h LEU 1004Cb 1.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1ktm h LEU 1004CO -0.74 1.36 0.43 0.00 0.09 0.00 0.00 178.44 179.58 1ktm h ALA 1005N 0.58 1.62 0.00 1.53 0.00 0.49 1.87 119.26 125.35 1ktm h ALA 1005Ca -0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1ktm h ALA 1005Cb 1.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1ktm h ALA 1005CO 0.19 -0.50 -1.43 0.94 0.00 0.00 0.00 179.25 178.46 1ktm n GLN 1006N -3.08 0.62 0.00 0.00 0.00 -0.34 -2.09 117.38 112.50 1ktm n GLN 1006Ca 0.01 0.15 0.11 0.00 -0.00 0.00 0.00 57.00 57.27 1ktm n GLN 1006Cb 0.51 -1.77 0.02 0.00 0.00 0.00 0.00 30.24 29.00 1ktm n GLN 1006CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1ktm n GLN 1007N -2.77 0.07 -0.11 3.69 -0.06 0.50 -4.27 117.38 114.42 1ktm n GLN 1007Ca -0.08 -0.01 -0.14 0.00 -2.00 0.00 0.00 57.00 54.77 1ktm n GLN 1007Cb 0.76 -1.52 -0.12 0.00 -4.06 0.00 0.00 30.24 25.31 1ktm n GLN 1007CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ktm n TYR 1008N -1.60 0.00 -0.33 3.69 4.02 0.52 -4.43 117.16 119.03 1ktm n TYR 1008Ca 0.04 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 58.16 1ktm n TYR 1008Cb 0.36 -0.90 0.45 0.00 -0.02 0.00 0.00 39.34 39.22 1ktm n TYR 1008CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1ktm h VAL 1009N 0.00 0.07 -1.46 -0.72 3.04 -1.59 0.85 116.25 116.44 1ktm h VAL 1009Ca -0.51 -0.02 0.45 0.00 -1.01 0.00 0.00 66.70 65.61 1ktm h VAL 1009Cb 1.88 0.01 -0.09 0.00 -2.01 0.00 0.00 31.29 31.08 1ktm h VAL 1009CO -0.06 0.01 1.01 1.15 -1.01 0.00 0.00 177.57 178.67 1ktm n MET 1010N -5.32 -0.01 0.00 4.17 -0.00 -1.26 -4.16 117.12 110.54 1ktm n MET 1010Ca 0.31 0.98 0.00 0.00 -0.00 0.00 0.00 57.70 58.98 1ktm n MET 1010Cb 1.02 -2.10 0.00 0.00 -0.00 0.00 0.00 33.22 32.13 1ktm n MET 1010CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ktm n THR 1011N -3.95 0.00 0.08 3.17 -2.24 0.30 -5.03 114.28 106.60 1ktm n THR 1011Ca 0.36 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.15 1ktm n THR 1011Cb 1.54 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1ktm n THR 1011CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ktm n SER 1012N 0.00 0.66 0.05 3.42 7.64 -1.26 -4.54 113.62 119.60 1ktm n SER 1012Ca 0.00 -0.83 0.07 0.00 1.01 0.00 0.00 58.87 59.11 1ktm n SER 1012Cb 0.00 0.46 0.30 0.00 -1.01 0.00 0.00 64.21 63.95 1ktm n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ktm n LEU 1013N -0.42 0.21 0.00 -3.43 7.99 -1.26 -3.91 117.00 116.19 1ktm n LEU 1013Ca 0.01 0.57 0.00 0.00 -0.01 0.00 0.00 56.01 56.58 1ktm n LEU 1013Cb 0.04 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1ktm n LEU 1013CO 0.02 -0.49 0.14 1.67 -1.51 0.00 0.00 177.39 177.23 1ktm n GLN 1014N -1.76 0.00 -0.59 3.23 7.27 -1.26 0.13 117.38 124.40 1ktm n GLN 1014Ca 0.02 0.28 0.46 0.00 0.07 0.00 0.00 57.00 57.83 1ktm n GLN 1014Cb 0.11 -0.70 0.72 0.00 2.41 0.00 0.00 30.24 32.78 1ktm n GLN 1014CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ktm n GLN 1015N -0.62 -0.01 0.17 3.69 10.64 -1.25 0.14 117.38 130.14 1ktm n GLN 1015Ca 0.00 1.08 -0.13 0.00 -1.83 0.00 0.00 57.00 56.12 1ktm n GLN 1015Cb 0.00 -2.35 -0.08 0.00 -0.86 0.00 0.00 30.24 26.95 1ktm n GLN 1015CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1ktm h GLU 1016N 0.00 -0.43 0.00 2.61 4.81 0.81 -2.60 114.58 119.78 1ktm h GLU 1016Ca 0.87 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 60.08 1ktm h GLU 1016Cb 3.24 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 32.71 1ktm h GLU 1016CO -0.17 -0.11 -0.23 1.88 -0.73 0.00 0.00 179.01 179.64 1ktm h TYR 1017N -0.79 0.00 -0.67 0.92 -1.99 0.87 -2.72 116.97 112.59 1ktm h TYR 1017Ca -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1ktm h TYR 1017Cb 0.51 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 1ktm h TYR 1017CO 0.02 0.23 0.34 -0.22 -0.00 0.00 0.00 178.16 178.53 1ktm h LYS 1018N 0.00 0.96 -0.09 4.88 1.63 0.39 -1.70 116.57 122.63 1ktm h LYS 1018Ca -0.00 -0.13 -0.13 0.00 -0.85 0.00 0.00 60.65 59.53 1ktm h LYS 1018Cb 0.65 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1ktm h LYS 1018CO 0.03 0.75 -0.53 0.87 -3.45 0.00 0.00 179.45 177.11 1ktm h LYS 1019N 0.93 0.26 0.58 1.90 6.56 -1.18 -2.48 116.57 123.12 1ktm h LYS 1019Ca 0.23 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1ktm h LYS 1019Cb 0.09 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1ktm h LYS 1019CO -0.03 0.73 -0.42 1.96 -2.06 0.00 0.00 179.45 179.63 1ktm h GLN 1020N 0.20 -0.92 -0.04 3.15 1.08 -1.06 0.61 115.11 118.14 1ktm h GLN 1020Ca 0.00 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ktm h GLN 1020Cb 1.00 0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1ktm h GLN 1020CO 0.08 -0.61 0.04 0.00 -0.95 0.00 0.00 178.83 177.40 1ktm h MET 1021N -0.95 0.00 -0.13 1.46 -0.00 -1.38 -1.45 114.93 112.48 1ktm h MET 1021Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1ktm h MET 1021Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1ktm h MET 1021CO 0.04 0.00 -0.04 1.25 -0.00 0.00 0.00 176.91 178.16 1ktm h LEU 1022N 0.00 0.26 -0.62 -0.10 7.12 -0.87 -1.12 115.31 119.99 1ktm h LEU 1022Ca 0.02 -0.38 0.12 0.00 0.13 0.00 0.00 57.88 57.77 1ktm h LEU 1022Cb 0.11 -0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 40.07 1ktm h LEU 1022CO -0.00 0.58 0.09 0.74 -0.13 0.00 0.00 178.44 179.72 1ktm h THR 1023N -0.06 0.57 -0.46 1.05 2.02 0.21 0.59 112.91 116.84 1ktm h THR 1023Ca 0.03 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1ktm h THR 1023Cb 0.47 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ktm h THR 1023CO 0.01 0.04 0.13 0.00 0.37 0.00 0.00 175.52 176.07 1ktm h ALA 1024N 1.52 0.61 -0.76 6.16 0.00 -1.43 -1.81 119.26 123.54 1ktm h ALA 1024Ca 0.33 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.25 1ktm h ALA 1024Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ktm h ALA 1024CO -0.46 0.27 0.54 0.00 0.00 0.00 0.00 179.25 179.60 1ktm h ALA 1025N 0.99 2.57 0.54 0.00 0.00 0.37 2.20 119.26 125.93 1ktm h ALA 1025Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ktm h ALA 1025Cb 0.29 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 1025CO -0.00 -0.79 -0.26 1.25 0.00 0.00 0.00 179.25 179.45 1ktm h HIS 1026N 0.10 -0.67 -0.26 0.00 2.76 -0.23 0.24 115.15 117.10 1ktm h HIS 1026Ca 0.37 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.40 1ktm h HIS 1026Cb 1.31 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.48 1ktm h HIS 1026CO -0.00 -0.34 -0.34 0.00 -1.30 0.00 0.00 177.93 175.95 1ktm h ALA 1027N -0.72 0.93 0.60 5.26 0.00 -0.97 -2.97 119.26 121.39 1ktm h ALA 1027Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1ktm h ALA 1027Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ktm h ALA 1027CO 0.12 0.62 -0.31 -0.07 0.00 0.00 0.00 179.25 179.61 1ktm h LEU 1028N 0.47 -0.76 -0.99 0.00 -0.00 0.36 0.97 115.31 115.37 1ktm h LEU 1028Ca 0.05 0.03 0.31 0.00 -0.00 0.00 0.00 57.88 58.28 1ktm h LEU 1028Cb 0.82 0.21 -0.18 0.00 -0.00 0.00 0.00 40.66 41.50 1ktm h LEU 1028CO 0.07 -0.51 0.17 0.00 -0.00 0.00 0.00 178.44 178.16 1ktm n ALA 1029N -2.46 0.65 -0.06 1.53 0.00 0.85 0.20 120.51 121.21 1ktm n ALA 1029Ca -0.10 1.04 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 1ktm n ALA 1029Cb 0.34 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1ktm n ALA 1029CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ktm h VAL 1030N 0.00 1.33 -0.86 0.00 2.07 -1.29 -2.98 116.25 114.52 1ktm h VAL 1030Ca 0.67 -1.36 0.12 0.00 0.82 0.00 0.00 66.70 66.96 1ktm h VAL 1030Cb 1.52 1.80 -0.14 0.00 -1.52 0.00 0.00 31.29 32.95 1ktm h VAL 1030CO -0.88 0.41 -0.42 -0.78 0.02 0.00 0.00 177.57 175.92 1ktm h ASP 1031N 0.12 -1.52 -0.73 0.57 3.58 1.03 1.14 116.42 120.60 1ktm h ASP 1031Ca 0.03 0.29 0.09 0.00 0.42 0.00 0.00 57.03 57.86 1ktm h ASP 1031Cb 0.73 0.75 -0.07 0.00 1.72 0.00 0.00 39.33 42.46 1ktm h ASP 1031CO 0.05 -0.29 0.38 0.00 -2.88 0.00 0.00 179.24 176.49 1ktm h ALA 1032N 1.05 1.02 0.12 -0.78 0.00 -1.19 -1.82 119.26 117.66 1ktm h ALA 1032Ca 0.27 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ktm h ALA 1032Cb 0.56 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1ktm h ALA 1032CO -0.88 -0.02 -0.37 -0.22 0.00 0.00 0.00 179.25 177.76 1ktm h LYS 1033N 0.64 -0.58 -0.97 0.00 3.11 0.13 -0.25 116.57 118.65 1ktm h LYS 1033Ca 0.36 0.04 0.32 0.00 -2.81 0.00 0.00 60.65 58.55 1ktm h LYS 1033Cb 0.37 0.13 -0.16 0.00 -1.00 0.00 0.00 32.23 31.57 1ktm h LYS 1033CO -0.26 -0.38 0.41 -0.91 -2.81 0.00 0.00 179.45 175.49 1ktm h ASN 1034N -0.60 0.21 -0.06 4.20 2.35 0.19 1.53 115.58 123.40 1ktm h ASN 1034Ca 0.03 0.22 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1ktm h ASN 1034Cb 0.63 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 1ktm h ASN 1034CO -0.22 -0.24 -0.26 0.25 -1.65 0.00 0.00 177.43 175.31 1ktm h LEU 1035N 0.18 -0.83 -0.72 1.61 6.46 -0.61 0.68 115.31 122.07 1ktm h LEU 1035Ca 0.70 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 58.47 1ktm h LEU 1035Cb 1.61 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 41.84 1ktm h LEU 1035CO -0.70 -0.24 0.04 0.25 -0.62 0.00 0.00 178.44 177.17 1ktm h LEU 1036N -0.29 0.99 -0.93 2.25 5.85 -0.66 -2.65 115.31 119.87 1ktm h LEU 1036Ca 0.01 -0.26 0.28 0.00 0.84 0.00 0.00 57.88 58.75 1ktm h LEU 1036Cb 0.33 -0.26 -0.16 0.00 0.37 0.00 0.00 40.66 40.94 1ktm h LEU 1036CO -0.21 1.02 0.23 -0.78 -0.34 0.00 0.00 178.44 178.37 1ktm h ASP 1037N 0.95 -0.07 -0.31 1.25 3.58 0.28 1.78 116.42 123.88 1ktm h ASP 1037Ca 0.18 0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.72 1ktm h ASP 1037Cb 0.49 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1ktm h ASP 1037CO 0.02 -0.25 -0.31 0.58 -2.88 0.00 0.00 179.24 176.40 1ktm h VAL 1038N 0.12 1.28 -0.07 2.25 2.07 -0.54 -2.81 116.25 118.56 1ktm h VAL 1038Ca 0.62 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1ktm h VAL 1038Cb 1.34 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1ktm h VAL 1038CO -0.75 0.49 -0.09 0.40 0.02 0.00 0.00 177.57 177.64 1ktm h ILE 1039N 0.70 0.76 -0.81 4.57 2.04 0.27 0.58 117.51 125.62 1ktm h ILE 1039Ca 0.08 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.08 1ktm h ILE 1039Cb 0.86 0.76 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1ktm h ILE 1039CO 0.08 0.00 0.37 -0.78 0.00 0.00 0.00 178.15 177.82 1ktm h ASP 1040N -0.12 0.40 0.58 1.72 3.58 -0.41 0.98 116.42 123.15 1ktm h ASP 1040Ca 0.06 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1ktm h ASP 1040Cb 0.20 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1ktm h ASP 1040CO -0.14 0.16 -0.51 1.56 -2.88 0.00 0.00 179.24 177.43 1ktm h GLN 1041N 0.53 0.00 -0.03 0.28 7.50 -1.00 -3.02 115.11 119.37 1ktm h GLN 1041Ca 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.57 1ktm h GLN 1041Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 1ktm h GLN 1041CO -0.39 0.51 -0.09 0.00 -1.50 0.00 0.00 178.83 177.35 1ktm h ALA 1042N 1.49 0.05 -0.22 3.87 0.00 0.48 -3.07 119.26 121.87 1ktm h ALA 1042Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ktm h ALA 1042Cb 0.93 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1ktm h ALA 1042CO 0.07 -0.07 -0.32 -0.09 0.00 0.00 0.00 179.25 178.84 1ktm h ARG 1043N -0.46 -0.23 -0.93 0.00 9.65 0.78 0.16 114.38 123.35 1ktm h ARG 1043Ca -0.00 0.02 0.27 0.00 -1.10 0.00 0.00 59.98 59.17 1ktm h ARG 1043Cb 0.72 0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 29.20 1ktm h ARG 1043CO 0.02 -0.15 0.24 1.37 2.80 0.00 0.00 179.97 184.25 1ktm h LEU 1044N -0.24 -0.05 -1.84 3.80 8.10 -1.64 1.56 115.31 125.01 1ktm h LEU 1044Ca 0.04 0.23 0.51 0.00 0.11 0.00 0.00 57.88 58.77 1ktm h LEU 1044Cb 0.34 0.32 -0.09 0.00 -0.44 0.00 0.00 40.66 40.79 1ktm h LEU 1044CO -0.34 -0.24 1.21 0.50 -4.11 0.00 0.00 178.44 175.45 1ktm h LYS 1045N 0.13 0.02 0.00 0.17 3.64 -0.57 0.43 116.57 120.39 1ktm h LYS 1045Ca 0.61 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.86 1ktm h LYS 1045Cb 1.33 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1ktm h LYS 1045CO -0.74 0.01 -0.83 1.98 -2.27 0.00 0.00 179.45 177.60 1ktm h MET 1046N 0.02 0.00 -0.56 1.90 4.05 0.23 -3.37 114.93 117.20 1ktm h MET 1046Ca 0.87 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 60.39 1ktm h MET 1046Cb 3.30 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 33.99 1ktm h MET 1046CO -0.13 0.68 -0.34 0.82 0.23 0.00 0.00 176.91 178.17 1ktm h ILE 1047N -1.00 0.17 -3.52 1.77 2.04 -0.12 -2.94 117.51 113.92 1ktm h ILE 1047Ca -0.19 0.00 -0.79 0.00 1.00 0.00 0.00 64.86 64.87 1ktm h ILE 1047Cb 0.98 0.17 -0.27 0.00 -0.74 0.00 0.00 36.82 36.96 1ktm h ILE 1047CO -0.12 0.00 0.43 -0.44 0.00 0.00 0.00 178.15 178.02 1ktm s SER 1048N -5.15 7.15 -0.41 1.72 0.01 0.12 -4.83 113.70 112.31 1ktm s SER 1048Ca -0.14 -3.29 0.06 0.00 1.31 0.00 0.00 55.95 53.88 1ktm s SER 1048Cb 0.15 -2.23 0.18 0.00 0.21 0.00 0.00 66.02 64.34 1ktm s SER 1048CO 0.69 -0.41 0.69 -1.10 0.41 0.00 0.00 173.24 173.52 1ktm s GLN 1049N -0.62 0.77 -0.21 12.44 -1.52 -1.11 -4.71 119.66 124.69 1ktm s GLN 1049Ca 0.28 -0.32 -0.15 0.00 -1.95 0.00 0.00 55.36 53.22 1ktm s GLN 1049Cb -0.09 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 32.79 1ktm s GLN 1049CO -0.08 -1.09 0.28 0.45 -0.25 0.00 0.00 175.29 174.60 1ktm n SER 1050N 4.15 -6.37 -4.67 5.90 2.88 -1.26 -4.78 113.62 109.48 1ktm n SER 1050Ca 0.11 0.29 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 1ktm n SER 1050Cb 0.58 -2.10 -0.03 0.00 -0.75 0.00 0.00 64.21 61.91 1ktm n SER 1050CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ktm s ARG 1051N -1.67 4.22 -0.00 -1.46 6.06 -1.26 -4.94 118.95 119.90 1ktm s ARG 1051Ca 0.15 2.09 -0.00 0.00 -2.50 0.00 0.00 55.73 55.47 1ktm s ARG 1051Cb -0.02 -3.79 -0.00 0.00 0.06 0.00 0.00 34.95 31.20 1ktm s ARG 1051CO 0.42 -0.74 0.26 -1.00 -2.50 0.00 0.00 175.30 171.74 1ktm h PRO 1052N 8.72 -0.01 0.00 5.12 0.13 -1.98 -3.55 132.00 140.43 1ktm h PRO 1052Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ktm h PRO 1052Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ktm h PRO 1052CO 0.94 -0.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.42