#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 -0.30 -1.40 3.04 0.00 -1.26 -4.79 120.51 115.80 1ktm n ALA 916 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 1ktm n ALA 916 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 1ktm n ALA 916 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ktm n ASN 917 N -3.16 6.76 -4.15 0.00 5.15 -1.26 -4.81 115.26 113.78 1ktm n ASN 917 Ca 0.01 -2.87 -0.35 0.00 -0.60 0.00 0.00 54.58 50.77 1ktm n ASN 917 Cb 0.04 -1.37 -0.13 0.00 -0.53 0.00 0.00 39.78 37.79 1ktm n ASN 917 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ktm s LEU 918 N -1.12 4.51 1.14 1.20 1.43 -1.26 -5.10 118.68 119.49 1ktm s LEU 918 Ca 0.62 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 1ktm s LEU 918 Cb 0.29 -1.77 0.19 0.00 0.03 0.00 0.00 46.19 44.93 1ktm s LEU 918 CO -0.10 -0.38 0.32 0.47 0.23 0.00 0.00 176.35 176.88 1ktm n ASP 919 N 4.61 -2.86 -3.08 2.29 9.92 -1.26 -4.68 116.55 121.49 1ktm n ASP 919 Ca -0.08 -0.35 -0.25 0.00 -0.53 0.00 0.00 54.79 53.58 1ktm n ASP 919 Cb 0.43 -0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 39.97 1ktm n ASP 919 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ktm n ARG 920 N -2.72 2.48 -0.73 -1.24 1.85 -1.26 -4.57 116.66 110.48 1ktm n ARG 920 Ca 0.05 -1.58 -0.13 0.00 -1.00 0.00 0.00 57.85 55.19 1ktm n ARG 920 Cb 0.51 -2.48 0.05 0.00 -1.05 0.00 0.00 32.46 29.49 1ktm n ARG 920 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ktm n SER 921 N 3.82 5.35 0.04 2.89 7.64 -1.26 -4.19 113.62 127.91 1ktm n SER 921 Ca 0.53 -2.86 -0.20 0.00 1.01 0.00 0.00 58.87 57.34 1ktm n SER 921 Cb 0.23 -0.93 -0.11 0.00 -1.01 0.00 0.00 64.21 62.39 1ktm n SER 921 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ktm h ASN 922 N 1.08 0.89 1.29 6.43 -1.24 -1.97 -2.99 115.58 119.07 1ktm h ASN 922 Ca 0.25 -0.74 -0.05 0.00 0.71 0.00 0.00 56.30 56.47 1ktm h ASN 922 Cb 1.19 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 1ktm h ASN 922 CO 0.58 1.52 -0.22 -0.78 -1.29 0.00 0.00 177.43 177.24 1ktm h ASP 923 N 0.36 0.00 0.82 1.15 1.82 -1.97 -2.45 116.42 116.14 1ktm h ASP 923 Ca -0.13 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.47 1ktm h ASP 923 Cb 1.68 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.70 1ktm h ASP 923 CO 0.20 0.22 -0.39 0.50 -1.61 0.00 0.00 179.24 178.16 1ktm h LYS 924 N 0.00 -1.06 -0.92 0.28 1.63 -1.82 0.70 116.57 115.39 1ktm h LYS 924 Ca -0.00 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1ktm h LYS 924 Cb 0.93 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.75 1ktm h LYS 924 CO 0.03 -0.71 0.60 0.28 -3.45 0.00 0.00 179.45 176.21 1ktm h VAL 925 N -1.25 1.19 0.00 2.00 2.07 -1.57 0.11 116.25 118.79 1ktm h VAL 925 Ca -0.11 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ktm h VAL 925 Cb 0.84 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ktm h VAL 925 CO 0.18 0.22 0.00 1.88 0.02 0.00 0.00 177.57 179.87 1ktm h TYR 926 N 1.19 0.00 0.02 1.57 -1.99 -1.30 -2.96 116.97 113.50 1ktm h TYR 926 Ca 0.35 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.08 1ktm h TYR 926 Cb -0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1ktm h TYR 926 CO -0.00 0.00 -0.01 0.93 -0.00 0.00 0.00 178.16 179.08 1ktm h GLU 927 N 0.00 -0.03 -0.96 4.88 3.07 0.31 -2.77 114.58 119.08 1ktm h GLU 927 Ca 0.00 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.14 1ktm h GLU 927 Cb 0.51 0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 28.25 1ktm h GLU 927 CO 0.00 -0.02 0.11 -0.91 -1.40 0.00 0.00 179.01 176.79 1ktm h ASN 928 N -0.10 -0.32 0.08 1.42 2.35 -1.50 1.62 115.58 119.14 1ktm h ASN 928 Ca -0.00 0.26 0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1ktm h ASN 928 Cb 0.02 0.42 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1ktm h ASN 928 CO 0.01 -0.32 -0.41 0.58 -1.65 0.00 0.00 177.43 175.63 1ktm h VAL 929 N 0.04 0.17 0.58 2.81 2.07 -1.63 0.18 116.25 120.48 1ktm h VAL 929 Ca 0.61 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.10 1ktm h VAL 929 Cb 1.29 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1ktm h VAL 929 CO -0.85 0.00 -0.28 0.71 0.02 0.00 0.00 177.57 177.17 1ktm h THR 930 N -0.62 0.00 -0.83 2.57 1.35 0.41 0.13 112.91 115.92 1ktm h THR 930 Ca 0.03 -0.35 0.19 0.00 -0.55 0.00 0.00 66.41 65.73 1ktm h THR 930 Cb 0.66 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.92 1ktm h THR 930 CO -0.26 0.00 -0.13 0.61 -0.25 0.00 0.00 175.52 175.49 1ktm n GLY 931 N -0.32 -1.31 0.06 5.82 0.00 0.50 0.21 105.19 110.15 1ktm n GLY 931 Ca -0.10 0.87 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 1ktm n GLY 931 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ktm h LEU 932 N 0.00 -0.01 -0.94 0.99 8.10 -0.64 -2.38 115.31 120.44 1ktm h LEU 932 Ca 0.44 -0.58 0.18 0.00 0.11 0.00 0.00 57.88 58.03 1ktm h LEU 932 Cb 0.76 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.87 1ktm h LEU 932 CO -0.83 0.58 0.52 0.58 -4.11 0.00 0.00 178.44 175.17 1ktm h VAL 933 N -0.59 0.67 -0.15 0.15 2.07 0.32 0.57 116.25 119.28 1ktm h VAL 933 Ca -0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ktm h VAL 933 Cb 0.59 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ktm h VAL 933 CO 0.00 0.12 0.08 0.11 0.02 0.00 0.00 177.57 177.91 1ktm h LYS 934 N 0.65 0.21 -0.19 1.57 1.57 0.25 -2.75 116.57 117.88 1ktm h LYS 934 Ca 0.54 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.30 1ktm h LYS 934 Cb 0.86 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1ktm h LYS 934 CO -0.40 0.22 0.11 0.00 -0.57 0.00 0.00 179.45 178.81 1ktm h ALA 935 N 0.98 0.24 -0.93 3.86 0.00 -0.21 0.82 119.26 124.02 1ktm h ALA 935 Ca 0.05 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.19 1ktm h ALA 935 Cb 0.07 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 1ktm h ALA 935 CO -0.01 -0.30 -0.05 0.28 0.00 0.00 0.00 179.25 179.17 1ktm n VAL 936 N -4.98 -0.39 -0.04 0.00 0.31 0.17 0.12 118.33 113.52 1ktm n VAL 936 Ca -0.03 2.06 -0.01 0.00 -0.01 0.00 0.00 64.34 66.34 1ktm n VAL 936 Cb 0.04 -2.96 -0.00 0.00 -0.91 0.00 0.00 33.84 30.00 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 -0.65 2.52 5.03 -1.23 -3.36 117.51 119.81 1ktm h ILE 937 Ca 0.53 -0.77 0.13 0.00 -0.12 0.00 0.00 64.86 64.63 1ktm h ILE 937 Cb 1.02 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.69 1ktm h ILE 937 CO -0.89 0.00 -0.16 1.21 -0.68 0.00 0.00 178.15 177.63 1ktm n GLU 938 N -4.11 -0.06 -0.01 2.37 4.07 0.28 -0.26 120.64 122.91 1ktm n GLU 938 Ca -0.02 1.02 -0.01 0.00 -0.06 0.00 0.00 57.16 58.09 1ktm n GLU 938 Cb 0.08 -1.53 -0.00 0.00 -0.06 0.00 0.00 31.44 29.93 1ktm n GLU 938 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1ktm h MET 939 N 0.00 -0.01 -1.27 5.31 4.05 0.69 0.33 114.93 124.03 1ktm h MET 939 Ca 0.32 0.00 0.45 0.00 -0.28 0.00 0.00 59.70 60.18 1ktm h MET 939 Cb 0.49 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.16 1ktm h MET 939 CO -0.67 -0.01 0.81 0.45 0.23 0.00 0.00 176.91 177.72 1ktm n SER 940 N -2.87 0.21 0.06 1.39 2.88 0.64 0.23 113.62 116.15 1ktm n SER 940 Ca -0.00 1.33 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1ktm n SER 940 Cb 0.01 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1ktm n SER 940 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ktm h SER 941 N 0.00 -0.05 -0.62 -3.46 0.02 -0.06 -2.77 113.55 106.61 1ktm h SER 941 Ca 0.83 -0.05 -0.30 0.00 -0.84 0.00 0.00 61.79 61.44 1ktm h SER 941 Cb 2.63 0.01 -0.18 0.00 0.14 0.00 0.00 62.40 65.01 1ktm h SER 941 CO -0.46 0.01 0.22 2.29 -1.14 0.00 0.00 176.83 177.76 1ktm n LYS 942 N -5.09 2.24 -0.11 3.45 2.85 0.57 -4.47 118.16 117.59 1ktm n LYS 942 Ca -0.08 -3.10 -0.21 0.00 -1.05 0.00 0.00 58.31 53.88 1ktm n LYS 942 Cb 0.07 -1.99 -0.09 0.00 -0.65 0.00 0.00 35.03 32.37 1ktm n LYS 942 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1ktm n ILE 943 N -1.00 1.52 -0.22 0.58 0.00 0.64 -2.39 119.36 118.48 1ktm n ILE 943 Ca 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 62.75 63.07 1ktm n ILE 943 Cb 1.30 -2.06 0.05 0.00 0.00 0.00 0.00 39.64 38.93 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 -1.00 -0.06 -0.01 9.51 4.20 -1.78 -2.15 115.11 123.82 1ktm h GLN 944 Ca -0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1ktm h GLN 944 Cb 1.28 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1ktm h GLN 944 CO -0.24 -0.04 -0.16 -1.00 -0.67 0.00 0.00 178.83 176.73 1ktm h PRO 945 N -0.06 0.12 -4.34 1.46 0.13 -1.84 -3.46 132.00 124.01 1ktm h PRO 945 Ca 0.30 -0.12 -0.57 0.00 -0.87 0.00 0.00 66.00 64.74 1ktm h PRO 945 Cb 0.52 0.03 0.04 0.00 0.13 0.00 0.00 31.00 31.72 1ktm h PRO 945 CO -0.70 0.84 0.02 0.00 -0.23 0.00 0.00 178.00 177.93 1ktm n ALA 946 N -2.51 -2.76 -1.52 -0.56 0.00 -0.81 -4.89 120.51 107.46 1ktm n ALA 946 Ca -0.09 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1ktm n ALA 946 Cb 0.44 -1.27 0.20 0.00 0.00 0.00 0.00 19.45 18.82 1ktm n ALA 946 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ktm s PRO 947 N -0.04 0.04 0.19 0.00 0.04 -1.26 -4.81 135.00 129.15 1ktm s PRO 947 Ca 0.65 -0.13 0.24 0.00 0.04 0.00 0.00 61.00 61.80 1ktm s PRO 947 Cb -0.91 -1.75 0.91 0.00 0.04 0.00 0.00 34.50 32.79 1ktm s PRO 947 CO 0.41 -2.86 1.74 -0.35 0.04 0.00 0.00 177.00 175.98 1ktm n PRO 948 N -4.15 0.18 0.08 0.56 -0.04 -1.26 -0.97 135.00 129.40 1ktm n PRO 948 Ca 0.13 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.92 1ktm n PRO 948 Cb 0.59 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1ktm n PRO 948 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ktm h GLU 949 N 0.00 0.00 -0.01 0.54 5.08 -2.00 -3.10 114.58 115.09 1ktm h GLU 949 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ktm h GLU 949 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ktm h GLU 949 CO 0.00 0.16 -0.39 -1.91 -1.00 0.00 0.00 179.01 175.87 1ktm n GLU 950 N -2.82 1.53 -0.06 2.33 4.07 -1.05 -4.41 120.64 120.23 1ktm n GLU 950 Ca -0.04 -0.85 -0.21 0.00 -0.06 0.00 0.00 57.16 56.00 1ktm n GLU 950 Cb 0.70 -1.34 -0.13 0.00 -0.06 0.00 0.00 31.44 30.61 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 -0.12 0.75 -0.21 4.31 9.36 -0.14 -2.81 117.16 128.30 1ktm n TYR 951 Ca 0.07 0.17 0.02 0.00 3.32 0.00 0.00 57.90 61.48 1ktm n TYR 951 Cb 0.38 -1.10 0.12 0.00 -0.63 0.00 0.00 39.34 38.11 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 -0.08 0.58 0.04 2.97 2.07 -1.75 -1.98 116.25 118.10 1ktm h VAL 952 Ca -0.49 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ktm h VAL 952 Cb 1.92 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1ktm h VAL 952 CO -0.02 0.04 -0.02 1.55 0.02 0.00 0.00 177.57 179.14 1ktm h PRO 953 N 0.23 -0.05 -0.30 1.57 0.13 -1.77 -2.98 132.00 128.82 1ktm h PRO 953 Ca 0.34 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.50 1ktm h PRO 953 Cb 0.53 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.63 1ktm h PRO 953 CO -0.45 0.60 -0.18 -1.33 -0.23 0.00 0.00 178.00 176.41 1ktm n MET 954 N -4.77 -0.13 0.01 0.86 2.81 -0.98 0.83 117.12 115.75 1ktm n MET 954 Ca -0.08 0.90 -0.10 0.00 -1.81 0.00 0.00 57.70 56.61 1ktm n MET 954 Cb 0.33 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ktm h VAL 955 N 0.00 0.59 -1.27 2.03 2.07 -1.52 0.17 116.25 118.32 1ktm h VAL 955 Ca 0.05 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.94 1ktm h VAL 955 Cb 0.12 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1ktm h VAL 955 CO -0.28 0.00 0.91 0.50 0.02 0.00 0.00 177.57 178.71 1ktm h LYS 956 N -0.21 0.04 -0.03 1.57 1.63 -0.06 0.56 116.57 120.07 1ktm h LYS 956 Ca 0.09 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1ktm h LYS 956 Cb 0.33 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1ktm h LYS 956 CO -0.22 0.02 0.00 1.49 -3.45 0.00 0.00 179.45 177.29 1ktm h GLU 957 N 0.04 0.04 -0.78 1.90 4.22 0.35 -2.64 114.58 117.71 1ktm h GLU 957 Ca 0.62 -0.01 0.18 0.00 0.08 0.00 0.00 59.36 60.23 1ktm h GLU 957 Cb 2.39 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 31.51 1ktm h GLU 957 CO -0.05 0.29 0.11 0.28 -2.18 0.00 0.00 179.01 177.46 1ktm h VAL 958 N -0.21 0.38 -0.74 0.32 2.07 0.38 0.48 116.25 118.93 1ktm h VAL 958 Ca 0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1ktm h VAL 958 Cb 0.26 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1ktm h VAL 958 CO 0.00 0.03 0.45 1.23 0.02 0.00 0.00 177.57 179.30 1ktm h GLY 959 N 0.18 1.09 0.98 2.17 0.00 -1.30 0.29 103.07 106.47 1ktm h GLY 959 Ca 0.45 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1ktm h GLY 959 CO -0.62 0.25 -0.35 -2.00 0.00 0.00 0.00 176.54 173.83 1ktm h LEU 960 N 0.86 -0.82 -0.67 3.11 6.46 0.20 0.19 115.31 124.63 1ktm h LEU 960 Ca 0.31 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.24 1ktm h LEU 960 Cb 0.10 0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 40.13 1ktm h LEU 960 CO -0.14 -0.57 0.04 0.00 -0.62 0.00 0.00 178.44 177.15 1ktm h ALA 961 N -0.75 0.72 0.08 1.25 0.00 -0.65 0.91 119.26 120.82 1ktm h ALA 961 Ca -0.10 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ktm h ALA 961 Cb 0.75 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ktm h ALA 961 CO 0.16 -0.39 -0.15 -0.07 0.00 0.00 0.00 179.25 178.81 1ktm h LEU 962 N 0.15 -0.40 -0.41 0.00 -0.00 -0.65 0.58 115.31 114.58 1ktm h LEU 962 Ca 0.36 0.05 0.08 0.00 -0.00 0.00 0.00 57.88 58.37 1ktm h LEU 962 Cb 0.60 0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 41.33 1ktm h LEU 962 CO -0.55 -0.21 -0.35 -0.09 -0.00 0.00 0.00 178.44 177.23 1ktm h ARG 963 N -0.28 -0.26 -0.65 1.13 2.43 0.16 0.82 114.38 117.73 1ktm h ARG 963 Ca 0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ktm h ARG 963 Cb 0.31 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1ktm h ARG 963 CO -0.09 -0.17 0.34 1.15 -1.51 0.00 0.00 179.97 179.69 1ktm h THR 964 N -0.27 1.22 -0.62 0.20 2.02 -0.65 -2.52 112.91 112.28 1ktm h THR 964 Ca 0.17 -0.58 0.13 0.00 0.77 0.00 0.00 66.41 66.90 1ktm h THR 964 Cb 0.55 0.40 -0.10 0.00 -1.74 0.00 0.00 68.15 67.25 1ktm h THR 964 CO -0.55 0.24 0.01 0.25 0.37 0.00 0.00 175.52 175.84 1ktm h LEU 965 N 0.90 -0.25 0.20 2.58 6.46 0.21 0.40 115.31 125.81 1ktm h LEU 965 Ca 0.23 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1ktm h LEU 965 Cb 0.08 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1ktm h LEU 965 CO -0.03 -0.11 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.11 1ktm h LEU 966 N 0.13 -1.47 -0.07 2.25 4.07 -0.49 1.36 115.31 121.08 1ktm h LEU 966 Ca 0.33 0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.47 1ktm h LEU 966 Cb 0.53 0.53 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 1ktm h LEU 966 CO -0.52 -0.56 -0.42 0.00 -1.08 0.00 0.00 178.44 175.86 1ktm h ALA 967 N -0.68 -0.63 -1.00 1.53 0.00 -1.09 0.33 119.26 117.71 1ktm h ALA 967 Ca -0.02 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1ktm h ALA 967 Cb 0.75 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 1ktm h ALA 967 CO -0.22 -0.94 0.61 1.15 0.00 0.00 0.00 179.25 179.85 1ktm h THR 968 N -0.53 0.78 -0.45 0.00 2.02 0.19 0.39 112.91 115.31 1ktm h THR 968 Ca 0.06 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1ktm h THR 968 Cb 0.64 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1ktm h THR 968 CO -0.36 0.15 0.08 0.58 0.37 0.00 0.00 175.52 176.34 1ktm h VAL 969 N 0.84 1.21 -0.98 3.16 2.07 0.39 -1.97 116.25 120.96 1ktm h VAL 969 Ca 0.55 -0.78 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1ktm h VAL 969 Cb 0.75 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 1ktm h VAL 969 CO -0.34 0.28 0.59 -0.78 0.02 0.00 0.00 177.57 177.34 1ktm h ASP 970 N 0.66 0.79 1.14 0.57 3.58 0.35 1.06 116.42 124.56 1ktm h ASP 970 Ca 0.15 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1ktm h ASP 970 Cb 0.29 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1ktm h ASP 970 CO 0.00 0.33 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.32 1ktm h GLU 971 N 0.81 0.00 0.01 0.28 5.08 -1.16 -2.74 114.58 116.86 1ktm h GLU 971 Ca 0.54 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.64 1ktm h GLU 971 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1ktm h GLU 971 CO -0.35 0.04 -1.39 1.03 -1.00 0.00 0.00 179.01 177.35 1ktm h SER 972 N 0.00 0.04 -0.99 1.42 0.87 0.11 -3.25 113.55 111.75 1ktm h SER 972 Ca -0.00 -0.06 0.18 0.00 -1.23 0.00 0.00 61.79 60.68 1ktm h SER 972 Cb 0.62 -0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 62.39 1ktm h SER 972 CO 0.01 1.05 -0.30 0.18 -0.53 0.00 0.00 176.83 177.24 1ktm n LEU 973 N -3.22 -0.47 0.06 2.23 4.77 0.15 0.89 117.00 121.41 1ktm n LEU 973 Ca -0.10 1.71 -0.12 0.00 -0.03 0.00 0.00 56.01 57.48 1ktm n LEU 973 Cb 1.00 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1ktm n LEU 973 CO 0.46 -1.60 0.25 1.55 -1.33 0.00 0.00 177.39 176.73 1ktm h PRO 974 N 0.00 0.39 -0.95 3.23 0.13 -1.71 -3.08 132.00 130.01 1ktm h PRO 974 Ca 0.42 -0.38 0.28 0.00 -0.87 0.00 0.00 66.00 65.45 1ktm h PRO 974 Cb 0.67 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 1ktm h PRO 974 CO -1.00 1.04 0.85 0.28 -0.23 0.00 0.00 178.00 178.93 1ktm h VAL 975 N 0.24 0.27 -2.35 1.56 2.07 0.47 -3.39 116.25 115.12 1ktm h VAL 975 Ca -0.06 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.91 1ktm h VAL 975 Cb 1.47 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1ktm h VAL 975 CO 0.15 0.00 -0.60 -0.76 0.02 0.00 0.00 177.57 176.37 1ktm s LEU 976 N -7.56 3.45 0.00 2.57 2.01 -0.55 -4.87 118.68 113.73 1ktm s LEU 976 Ca -0.04 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.65 1ktm s LEU 976 Cb 0.19 -2.00 0.00 0.00 0.01 0.00 0.00 46.19 44.38 1ktm s LEU 976 CO 0.65 0.01 0.00 -0.81 1.01 0.00 0.00 176.35 177.20 1ktm n PRO 977 N -0.82 0.34 -1.38 1.29 -0.04 -1.26 -4.92 135.00 128.20 1ktm n PRO 977 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1ktm n PRO 977 Cb 0.58 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.23 1ktm n PRO 977 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ktm s ALA 978 N -3.51 1.27 -1.62 0.55 0.00 -1.26 -3.84 121.76 113.36 1ktm s ALA 978 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1ktm s ALA 978 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1ktm s ALA 978 CO 0.00 -2.94 0.00 0.45 0.00 0.00 0.00 175.76 173.27 1ktm n SER 979 N -4.24 -4.87 -0.00 0.00 2.88 -1.26 -4.82 113.62 101.30 1ktm n SER 979 Ca 0.11 0.31 -0.04 0.00 -1.33 0.00 0.00 58.87 57.92 1ktm n SER 979 Cb 0.59 -3.81 -0.01 0.00 -0.75 0.00 0.00 64.21 60.23 1ktm n SER 979 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ktm n THR 980 N -2.83 1.02 0.13 2.46 -1.04 -1.25 -4.53 114.28 108.24 1ktm n THR 980 Ca -0.16 0.20 0.18 0.00 -2.04 0.00 0.00 64.05 62.23 1ktm n THR 980 Cb 0.54 -1.73 0.60 0.00 -1.82 0.00 0.00 70.33 67.93 1ktm n THR 980 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1ktm h HIS 981 N -0.26 0.00 0.00 -1.42 2.07 -1.88 0.47 115.15 114.14 1ktm h HIS 981 Ca -0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1ktm h HIS 981 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1ktm h HIS 981 CO -0.08 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.32 1ktm n ARG 982 N -3.22 0.00 0.30 5.12 5.12 -1.26 -0.99 116.66 121.73 1ktm n ARG 982 Ca 0.07 0.02 0.18 0.00 -1.93 0.00 0.00 57.85 56.18 1ktm n ARG 982 Cb 0.80 -0.81 0.91 0.00 -1.16 0.00 0.00 32.46 32.20 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ktm h GLU 983 N 0.00 0.00 -0.14 5.56 5.08 -1.69 0.39 114.58 123.78 1ktm h GLU 983 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1ktm h GLU 983 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ktm h GLU 983 CO 0.00 0.00 -0.75 0.82 -1.00 0.00 0.00 179.01 178.08 1ktm h ILE 984 N 0.00 1.31 -0.73 3.13 2.04 -0.12 -1.44 117.51 121.69 1ktm h ILE 984 Ca 0.03 -2.01 -0.04 0.00 1.00 0.00 0.00 64.86 63.84 1ktm h ILE 984 Cb 0.53 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1ktm h ILE 984 CO -0.00 0.63 0.32 -0.08 0.00 0.00 0.00 178.15 179.01 1ktm h GLU 985 N 0.46 1.07 0.00 2.37 4.22 0.16 0.30 114.58 123.16 1ktm h GLU 985 Ca -0.04 -0.18 -0.09 0.00 0.08 0.00 0.00 59.36 59.13 1ktm h GLU 985 Cb 1.36 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1ktm h GLU 985 CO 0.15 0.86 -0.44 0.52 -2.18 0.00 0.00 179.01 177.93 1ktm h MET 986 N 1.03 0.00 0.00 1.92 2.86 -1.45 -1.62 114.93 117.68 1ktm h MET 986 Ca 0.25 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.78 1ktm h MET 986 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1ktm h MET 986 CO -0.02 0.44 -0.60 0.00 1.06 0.00 0.00 176.91 177.79 1ktm h ALA 987 N 1.56 0.68 0.11 6.32 0.00 -0.58 -2.75 119.26 124.60 1ktm h ALA 987 Ca -0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1ktm h ALA 987 Cb 1.01 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ktm h ALA 987 CO 0.06 0.62 -0.80 1.96 0.00 0.00 0.00 179.25 181.09 1ktm h GLN 988 N 0.00 0.35 -0.61 0.00 4.20 -0.16 -2.94 115.11 115.95 1ktm h GLN 988 Ca -0.02 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.12 1ktm h GLN 988 Cb 1.39 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 1ktm h GLN 988 CO 0.06 1.22 0.19 -0.22 -0.67 0.00 0.00 178.83 179.41 1ktm h LYS 989 N -0.25 0.91 -0.14 1.46 3.64 -1.38 -1.99 116.57 118.83 1ktm h LYS 989 Ca -0.13 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1ktm h LYS 989 Cb 1.58 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 1ktm h LYS 989 CO 0.15 0.78 0.06 1.25 -2.27 0.00 0.00 179.45 179.42 1ktm h LEU 990 N 0.89 0.08 0.20 5.20 6.46 -1.55 0.71 115.31 127.30 1ktm h LEU 990 Ca 0.20 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1ktm h LEU 990 Cb 0.25 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1ktm h LEU 990 CO -0.01 0.07 -0.21 0.25 -0.62 0.00 0.00 178.44 177.92 1ktm h LEU 991 N 0.13 -0.58 -0.89 2.25 5.85 -1.27 0.17 115.31 120.97 1ktm h LEU 991 Ca 0.06 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.02 1ktm h LEU 991 Cb 0.02 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 1ktm h LEU 991 CO -0.05 -0.28 0.44 -1.13 -0.34 0.00 0.00 178.44 177.08 1ktm h ASN 992 N -0.41 0.46 0.00 1.25 -0.73 -1.30 0.29 115.58 115.13 1ktm h ASN 992 Ca -0.03 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1ktm h ASN 992 Cb 0.36 0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.02 1ktm h ASN 992 CO -0.03 0.11 -0.01 0.28 -0.37 0.00 0.00 177.43 177.41 1ktm h SER 993 N 0.52 -0.04 -0.90 1.15 0.02 0.11 0.42 113.55 114.83 1ktm h SER 993 Ca 0.53 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.67 1ktm h SER 993 Cb 0.91 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.39 1ktm h SER 993 CO -0.45 -0.01 0.59 0.44 -1.14 0.00 0.00 176.83 176.25 1ktm h ASP 994 N -0.02 0.52 0.40 3.07 5.19 -0.38 -1.07 116.42 124.13 1ktm h ASP 994 Ca 0.00 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1ktm h ASP 994 Cb 0.02 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 1ktm h ASP 994 CO -0.01 0.23 -0.48 0.25 -3.12 0.00 0.00 179.24 176.11 1ktm h LEU 995 N 0.53 -1.35 -0.58 1.55 5.85 0.82 0.48 115.31 122.61 1ktm h LEU 995 Ca 0.47 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.42 1ktm h LEU 995 Cb 0.98 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 42.36 1ktm h LEU 995 CO -0.20 -0.62 -0.18 0.00 -0.34 0.00 0.00 178.44 177.10 1ktm h ALA 996 N -0.68 0.32 -0.06 1.25 0.00 0.11 1.07 119.26 121.27 1ktm h ALA 996 Ca -0.04 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ktm h ALA 996 Cb 0.82 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ktm h ALA 996 CO -0.11 -0.47 0.04 1.49 0.00 0.00 0.00 179.25 180.20 1ktm h GLU 997 N -0.03 0.04 -0.04 0.00 4.57 -0.80 -1.80 114.58 116.52 1ktm h GLU 997 Ca 0.28 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 1ktm h GLU 997 Cb 0.46 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1ktm h GLU 997 CO -0.62 0.03 -0.20 1.25 -1.18 0.00 0.00 179.01 178.29 1ktm h LEU 998 N 0.04 0.24 -0.56 1.64 7.12 0.58 -1.25 115.31 123.12 1ktm h LEU 998 Ca 0.03 -0.67 0.11 0.00 0.13 0.00 0.00 57.88 57.48 1ktm h LEU 998 Cb 0.05 -0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.01 1ktm h LEU 998 CO -0.00 0.87 -0.07 0.40 -0.13 0.00 0.00 178.44 179.51 1ktm h ILE 999 N -0.37 0.49 -0.42 4.05 1.08 0.10 0.37 117.51 122.80 1ktm h ILE 999 Ca -0.01 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1ktm h ILE 999 Cb 0.87 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1ktm h ILE 999 CO 0.04 0.01 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.29 1ktm h ASN 1000N 0.05 0.72 -0.54 1.72 -1.24 -1.40 -1.76 115.58 113.14 1ktm h ASN 1000Ca 0.28 -0.20 0.12 0.00 0.71 0.00 0.00 56.30 57.21 1ktm h ASN 1000Cb 0.44 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 1ktm h ASN 1000CO -0.53 0.85 0.37 0.50 -1.29 0.00 0.00 177.43 177.33 1ktm h LYS 1001N 0.67 0.19 0.22 6.67 1.63 0.90 0.18 116.57 127.02 1ktm h LYS 1001Ca 0.12 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.58 1ktm h LYS 1001Cb 0.55 -0.04 0.03 0.00 -0.60 0.00 0.00 32.23 32.17 1ktm h LYS 1001CO 0.03 0.12 -1.49 1.98 -3.45 0.00 0.00 179.45 176.64 1ktm h MET 1002N 0.19 0.46 0.22 1.90 4.05 -0.25 -2.25 114.93 119.24 1ktm h MET 1002Ca 0.26 -0.79 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1ktm h MET 1002Cb 0.75 0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1ktm h MET 1002CO -0.04 1.37 -0.21 0.87 0.23 0.00 0.00 176.91 179.13 1ktm h LYS 1003N 0.13 -0.43 -0.43 0.39 1.57 -0.27 0.26 116.57 117.79 1ktm h LYS 1003Ca -0.25 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1ktm h LYS 1003Cb 2.12 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.51 1ktm h LYS 1003CO 0.24 -0.29 0.02 1.37 -0.57 0.00 0.00 179.45 180.23 1ktm h LEU 1004N -0.45 0.64 0.00 2.94 8.10 -1.17 0.52 115.31 125.90 1ktm h LEU 1004Ca -0.00 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1ktm h LEU 1004Cb 0.42 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1ktm h LEU 1004CO -0.04 0.70 0.00 0.00 -4.11 0.00 0.00 178.44 174.99 1ktm n ALA 1005N -2.47 1.92 0.27 0.17 0.00 -0.76 0.50 120.51 120.14 1ktm n ALA 1005Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1ktm n ALA 1005Cb 0.26 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 1ktm n ALA 1005CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ktm n GLN 1006N -1.33 0.48 -0.10 0.00 0.00 0.86 -3.75 117.38 113.54 1ktm n GLN 1006Ca 0.07 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.00 56.81 1ktm n GLN 1006Cb 0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 30.24 28.78 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 -2.07 0.65 0.21 3.69 0.00 -0.64 -4.40 117.38 114.83 1ktm n GLN 1007Ca -0.02 0.10 0.15 0.00 -0.00 0.00 0.00 57.00 57.22 1ktm n GLN 1007Cb 0.50 -1.40 0.54 0.00 0.00 0.00 0.00 30.24 29.89 1ktm n GLN 1007CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1ktm h TYR 1008N 0.00 0.00 -0.29 3.69 0.05 -0.17 -3.31 116.97 116.94 1ktm h TYR 1008Ca -0.44 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.37 1ktm h TYR 1008Cb 1.73 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.43 1ktm h TYR 1008CO 0.02 0.00 -0.17 -0.24 -1.05 0.00 0.00 178.16 176.72 1ktm h VAL 1009N 0.00 0.00 -0.64 -2.88 3.04 -1.74 -0.42 116.25 113.60 1ktm h VAL 1009Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 1ktm h VAL 1009Cb 0.54 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.72 1ktm h VAL 1009CO 0.00 0.00 -0.55 -0.03 -1.01 0.00 0.00 177.57 175.98 1ktm h MET 1010N -0.00 -0.23 0.00 4.17 1.85 -1.87 -2.88 114.93 115.97 1ktm h MET 1010Ca 0.05 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1ktm h MET 1010Cb 0.12 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.20 1ktm h MET 1010CO -0.27 -0.15 0.00 2.41 -0.40 0.00 0.00 176.91 178.49 1ktm n THR 1011N -5.34 0.00 0.00 -0.77 -1.04 -0.24 -4.88 114.28 102.01 1ktm n THR 1011Ca -0.01 0.86 0.00 0.00 -2.04 0.00 0.00 64.05 62.87 1ktm n THR 1011Cb 0.32 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1ktm n THR 1011CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ktm n SER 1012N -1.06 0.00 0.07 8.00 7.64 -0.78 -4.96 113.62 122.53 1ktm n SER 1012Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1ktm n SER 1012Cb 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.00 0.26 0.00 -3.43 4.77 -1.25 -3.55 117.00 113.80 1ktm n LEU 1013Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1ktm n LEU 1013Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1ktm n LEU 1013CO 0.00 -0.65 0.32 1.67 -1.33 0.00 0.00 177.39 177.40 1ktm n GLN 1014N -1.84 0.00 -0.33 3.23 7.27 -1.25 0.18 117.38 124.64 1ktm n GLN 1014Ca -0.00 0.64 0.27 0.00 0.07 0.00 0.00 57.00 57.98 1ktm n GLN 1014Cb 0.05 -1.01 0.51 0.00 2.41 0.00 0.00 30.24 32.20 1ktm n GLN 1014CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1ktm h GLN 1015N 0.00 0.02 0.11 3.69 3.07 -1.94 2.11 115.11 122.17 1ktm h GLN 1015Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1ktm h GLN 1015Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ktm h GLN 1015CO 0.00 0.02 -0.05 1.49 0.09 0.00 0.00 178.83 180.37 1ktm h GLU 1016N 0.02 -0.15 0.00 0.06 4.81 0.17 -1.60 114.58 117.90 1ktm h GLU 1016Ca 0.78 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.95 1ktm h GLU 1016Cb 1.96 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.36 1ktm h GLU 1016CO -0.80 0.10 -0.32 1.88 -0.73 0.00 0.00 179.01 179.14 1ktm h TYR 1017N -0.38 0.00 -0.43 0.92 0.05 0.66 -2.80 116.97 114.99 1ktm h TYR 1017Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1ktm h TYR 1017Cb 0.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1ktm h TYR 1017CO 0.00 0.32 0.06 0.87 -1.05 0.00 0.00 178.16 178.36 1ktm h LYS 1018N 0.00 0.72 -0.75 4.88 1.79 0.32 -2.67 116.57 120.86 1ktm h LYS 1018Ca -0.00 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1ktm h LYS 1018Cb 0.69 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 1ktm h LYS 1018CO 0.04 0.76 0.49 0.87 -1.08 0.00 0.00 179.45 180.53 1ktm h LYS 1019N 0.58 0.95 -0.34 3.15 6.56 -1.04 -2.43 116.57 124.01 1ktm h LYS 1019Ca 0.13 -0.06 0.07 0.00 -1.06 0.00 0.00 60.65 59.74 1ktm h LYS 1019Cb 0.40 -0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 31.76 1ktm h LYS 1019CO 0.01 0.63 -0.20 1.96 -2.06 0.00 0.00 179.45 179.80 1ktm h GLN 1020N 0.98 -0.14 -0.33 3.15 1.08 -1.31 -2.09 115.11 116.45 1ktm h GLN 1020Ca 0.29 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.56 1ktm h GLN 1020Cb -0.06 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.32 1ktm h GLN 1020CO -0.08 -0.10 -0.44 1.98 -0.95 0.00 0.00 178.83 179.25 1ktm h MET 1021N -0.15 -0.37 -0.91 1.46 4.05 -1.16 0.08 114.93 117.94 1ktm h MET 1021Ca 0.17 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.81 1ktm h MET 1021Cb 0.41 0.08 -0.17 0.00 -0.80 0.00 0.00 31.60 31.13 1ktm h MET 1021CO -0.43 -0.24 -0.18 1.25 0.23 0.00 0.00 176.91 177.53 1ktm h LEU 1022N -0.38 -0.77 -0.64 3.39 7.12 -1.23 0.67 115.31 123.47 1ktm h LEU 1022Ca 0.11 0.27 0.12 0.00 0.13 0.00 0.00 57.88 58.52 1ktm h LEU 1022Cb 0.60 0.54 -0.12 0.00 -0.53 0.00 0.00 40.66 41.15 1ktm h LEU 1022CO -0.52 -0.30 -0.23 0.74 -0.13 0.00 0.00 178.44 178.00 1ktm h THR 1023N 0.01 0.27 -0.49 1.05 2.02 -0.63 0.26 112.91 115.40 1ktm h THR 1023Ca 0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.62 1ktm h THR 1023Cb 0.74 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1ktm h THR 1023CO -0.92 0.00 0.23 0.00 0.37 0.00 0.00 175.52 175.20 1ktm h ALA 1024N 1.42 0.63 -0.99 6.16 0.00 0.47 -1.62 119.26 125.33 1ktm h ALA 1024Ca 0.29 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.32 1ktm h ALA 1024Cb 0.52 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1ktm h ALA 1024CO -0.69 0.20 0.65 0.00 0.00 0.00 0.00 179.25 179.42 1ktm h ALA 1025N 1.07 2.32 0.46 0.00 0.00 0.17 1.81 119.26 125.09 1ktm h ALA 1025Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ktm h ALA 1025Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ktm h ALA 1025CO -0.02 -0.66 -0.22 1.25 0.00 0.00 0.00 179.25 179.59 1ktm h HIS 1026N 0.35 -0.57 -0.38 0.00 6.17 0.04 -0.43 115.15 120.33 1ktm h HIS 1026Ca 0.53 -0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.53 1ktm h HIS 1026Cb 1.44 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 31.54 1ktm h HIS 1026CO -0.00 -0.26 -0.04 0.00 0.71 0.00 0.00 177.93 178.33 1ktm h ALA 1027N -0.43 1.23 0.17 5.26 0.00 -0.72 -2.91 119.26 121.85 1ktm h ALA 1027Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ktm h ALA 1027Cb 0.57 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ktm h ALA 1027CO 0.10 0.51 -0.14 -0.07 0.00 0.00 0.00 179.25 179.65 1ktm h LEU 1028N 0.58 -0.36 -0.95 0.00 3.38 0.28 1.47 115.31 119.70 1ktm h LEU 1028Ca 0.11 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.44 1ktm h LEU 1028Cb 0.43 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.12 1ktm h LEU 1028CO 0.02 -0.19 0.25 0.00 0.09 0.00 0.00 178.44 178.61 1ktm n ALA 1029N -2.36 0.72 -0.02 1.53 0.00 -0.18 0.17 120.51 120.37 1ktm n ALA 1029Ca -0.04 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.27 1ktm n ALA 1029Cb 0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 1.36 -0.35 0.00 2.07 -1.18 -2.24 116.25 115.90 1ktm h VAL 1030Ca 0.68 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1ktm h VAL 1030Cb 1.63 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 1ktm h VAL 1030CO -0.81 0.29 -0.33 0.44 0.02 0.00 0.00 177.57 177.18 1ktm h ASP 1031N -0.39 -1.14 -0.28 0.57 3.32 1.24 1.71 116.42 121.45 1ktm h ASP 1031Ca 0.00 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.29 1ktm h ASP 1031Cb 0.49 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1ktm h ASP 1031CO 0.00 -0.20 0.32 0.00 -1.72 0.00 0.00 179.24 177.65 1ktm h ALA 1032N -0.43 1.93 0.23 3.45 0.00 -1.08 -1.98 119.26 121.40 1ktm h ALA 1032Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ktm h ALA 1032Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 1032CO -0.41 -0.47 -0.11 -0.22 0.00 0.00 0.00 179.25 178.04 1ktm h LYS 1033N 0.00 -0.30 -1.83 0.00 1.63 0.26 -3.03 116.57 113.30 1ktm h LYS 1033Ca 0.13 0.02 0.55 0.00 -0.85 0.00 0.00 60.65 60.51 1ktm h LYS 1033Cb 0.77 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.38 1ktm h LYS 1033CO -0.00 -0.20 1.29 -0.91 -3.45 0.00 0.00 179.45 176.17 1ktm h ASN 1034N -0.68 0.05 0.00 4.20 2.35 0.20 1.82 115.58 123.53 1ktm h ASN 1034Ca -0.03 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ktm h ASN 1034Cb 0.24 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1ktm h ASN 1034CO 0.05 -0.07 0.00 -0.11 -1.65 0.00 0.00 177.43 175.65 1ktm n LEU 1035N -4.15 0.03 -0.27 1.61 7.94 -0.88 -1.94 117.00 119.34 1ktm n LEU 1035Ca 0.44 0.90 -0.03 0.00 -1.11 0.00 0.00 56.01 56.21 1ktm n LEU 1035Cb 1.91 -0.45 0.14 0.00 0.53 0.00 0.00 43.42 45.55 1ktm n LEU 1035CO 0.38 -0.45 1.14 0.25 -1.11 0.00 0.00 177.39 177.60 1ktm h LEU 1036N 0.00 1.00 -0.93 -1.96 5.85 -0.57 -1.99 115.31 116.70 1ktm h LEU 1036Ca 0.00 -0.09 0.28 0.00 0.84 0.00 0.00 57.88 58.90 1ktm h LEU 1036Cb 0.00 -0.25 -0.15 0.00 0.37 0.00 0.00 40.66 40.63 1ktm h LEU 1036CO 0.00 0.82 0.33 -0.78 -0.34 0.00 0.00 178.44 178.47 1ktm h ASP 1037N 1.11 0.13 0.25 1.25 1.82 0.26 2.05 116.42 123.30 1ktm h ASP 1037Ca 0.28 0.21 -0.14 0.00 -0.39 0.00 0.00 57.03 56.98 1ktm h ASP 1037Cb 0.06 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1ktm h ASP 1037CO -0.04 -0.19 -0.55 0.58 -1.61 0.00 0.00 179.24 177.43 1ktm h VAL 1038N 0.21 1.36 -0.08 2.25 2.07 -0.68 -2.96 116.25 118.40 1ktm h VAL 1038Ca 0.63 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1ktm h VAL 1038Cb 1.36 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1ktm h VAL 1038CO -0.67 0.55 0.03 0.40 0.02 0.00 0.00 177.57 177.90 1ktm h ILE 1039N 0.24 1.15 -0.74 4.57 2.04 0.33 0.17 117.51 125.27 1ktm h ILE 1039Ca 0.00 -0.43 0.15 0.00 1.00 0.00 0.00 64.86 65.58 1ktm h ILE 1039Cb 1.04 1.28 -0.10 0.00 -0.74 0.00 0.00 36.82 38.30 1ktm h ILE 1039CO 0.09 0.13 0.24 -0.78 0.00 0.00 0.00 178.15 177.83 1ktm h ASP 1040N -0.02 0.15 1.33 1.72 1.82 -0.01 1.69 116.42 123.10 1ktm h ASP 1040Ca 0.03 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1ktm h ASP 1040Cb 0.17 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 1ktm h ASP 1040CO -0.00 0.03 -0.05 1.56 -1.61 0.00 0.00 179.24 179.17 1ktm h GLN 1041N 0.35 0.00 0.00 0.28 4.20 -1.31 -3.00 115.11 115.63 1ktm h GLN 1041Ca 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 1ktm h GLN 1041Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1ktm h GLN 1041CO -0.45 0.05 -0.12 0.00 -0.67 0.00 0.00 178.83 177.64 1ktm h ALA 1042N 1.95 0.02 -0.93 3.87 0.00 0.38 -2.57 119.26 121.97 1ktm h ALA 1042Ca -0.00 -0.32 0.27 0.00 0.00 0.00 0.00 54.91 54.86 1ktm h ALA 1042Cb 0.73 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 1ktm h ALA 1042CO 0.01 0.08 0.37 -0.09 0.00 0.00 0.00 179.25 179.62 1ktm h ARG 1043N -1.00 0.24 -0.07 0.00 2.43 0.20 1.48 114.38 117.66 1ktm h ARG 1043Ca -0.02 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1ktm h ARG 1043Cb 0.54 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ktm h ARG 1043CO -0.01 0.16 -0.61 1.37 -1.51 0.00 0.00 179.97 179.37 1ktm h LEU 1044N 0.25 0.30 -1.66 3.80 8.10 -1.64 -2.69 115.31 121.78 1ktm h LEU 1044Ca 0.63 -0.17 0.03 0.00 0.11 0.00 0.00 57.88 58.48 1ktm h LEU 1044Cb 1.35 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1ktm h LEU 1044CO -0.64 0.84 0.49 0.50 -4.11 0.00 0.00 178.44 175.51 1ktm h LYS 1045N 0.19 0.00 0.00 0.17 3.11 0.25 1.43 116.57 121.72 1ktm h LYS 1045Ca -0.01 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1ktm h LYS 1045Cb 1.12 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.32 1ktm h LYS 1045CO 0.10 0.00 -1.55 -0.12 -2.81 0.00 0.00 179.45 175.07 1ktm n MET 1046N -2.99 0.63 -0.26 1.90 1.56 -1.02 -4.27 117.12 112.68 1ktm n MET 1046Ca 0.01 0.19 -0.06 0.00 -0.27 0.00 0.00 57.70 57.56 1ktm n MET 1046Cb 0.56 -1.77 -0.02 0.00 2.15 0.00 0.00 33.22 34.15 1ktm n MET 1046CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1ktm h ILE 1047N 0.00 0.08 -1.39 1.12 1.08 0.20 -3.02 117.51 115.57 1ktm h ILE 1047Ca -0.20 0.00 -0.65 0.00 -0.39 0.00 0.00 64.86 63.62 1ktm h ILE 1047Cb 1.64 0.08 -0.12 0.00 -3.07 0.00 0.00 36.82 35.35 1ktm h ILE 1047CO 0.04 0.00 1.57 -0.55 -0.69 0.00 0.00 178.15 178.52 1ktm s SER 1048N -5.23 6.69 0.06 1.72 0.15 -1.23 -3.75 113.70 112.11 1ktm s SER 1048Ca -0.14 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.49 1ktm s SER 1048Cb 0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1ktm s SER 1048CO 0.68 -1.24 0.00 1.67 1.20 0.00 0.00 173.24 175.54 1ktm n GLN 1049N 7.96 0.00 0.12 5.44 7.27 -1.14 -5.04 117.38 131.99 1ktm n GLN 1049Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1ktm n GLN 1049Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1ktm n GLN 1049CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1ktm n SER 1050N -2.60 0.03 -4.61 1.69 7.64 -1.25 -5.05 113.62 109.48 1ktm n SER 1050Ca 0.00 0.40 -0.44 0.00 1.01 0.00 0.00 58.87 59.84 1ktm n SER 1050Cb 0.00 0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1ktm n SER 1050CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ktm n ARG 1051N -3.41 2.10 0.00 1.43 0.63 -1.25 -4.91 116.66 111.25 1ktm n ARG 1051Ca 0.00 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1ktm n ARG 1051Cb 0.01 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 29.90 1ktm n ARG 1051CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1ktm n PRO 1052N 8.13 0.00 0.00 -0.14 -0.04 -1.26 -4.53 135.00 137.15 1ktm n PRO 1052Ca 0.28 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1ktm n PRO 1052Cb 0.39 -0.16 0.05 0.00 -0.04 0.00 0.00 33.50 33.75 1ktm n PRO 1052CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18