#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 1.51 -2.57 3.04 0.00 -1.26 -4.87 120.51 116.36 1ktm n ALA 916 Ca 0.00 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 1ktm n ALA 916 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1ktm n ALA 916 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ktm s ASN 917 N -7.02 6.45 -0.25 0.00 2.20 -1.26 -5.00 114.94 110.07 1ktm s ASN 917 Ca -0.32 -0.01 0.02 0.00 -0.94 0.00 0.00 52.86 51.61 1ktm s ASN 917 Cb 0.12 -2.43 0.06 0.00 -2.00 0.00 0.00 41.25 37.01 1ktm s ASN 917 CO 0.41 -1.03 -0.07 -0.76 -2.94 0.00 0.00 177.10 172.72 1ktm s LEU 918 N 3.62 2.93 0.00 3.54 1.02 -1.26 -5.12 118.68 123.42 1ktm s LEU 918 Ca 0.34 -1.29 -0.07 0.00 0.02 0.00 0.00 54.13 53.13 1ktm s LEU 918 Cb -0.11 -1.31 0.11 0.00 0.02 0.00 0.00 46.19 44.90 1ktm s LEU 918 CO 0.25 -0.23 0.24 0.47 0.02 0.00 0.00 176.35 177.10 1ktm n ASP 919 N 4.58 -2.33 -2.16 2.29 9.92 -1.26 -4.77 116.55 122.82 1ktm n ASP 919 Ca -0.12 -0.24 -0.19 0.00 -0.53 0.00 0.00 54.79 53.71 1ktm n ASP 919 Cb 0.43 -0.32 -0.06 0.00 -0.64 0.00 0.00 41.12 40.53 1ktm n ASP 919 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ktm n ARG 920 N -2.39 2.06 0.04 -1.24 5.12 -1.26 -4.21 116.66 114.78 1ktm n ARG 920 Ca 0.04 -1.64 -0.19 0.00 -1.93 0.00 0.00 57.85 54.13 1ktm n ARG 920 Cb 0.17 -1.91 -0.14 0.00 -1.16 0.00 0.00 32.46 29.42 1ktm n ARG 920 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1ktm h SER 921 N 2.53 0.41 0.42 0.55 0.02 -2.00 -3.14 113.55 112.34 1ktm h SER 921 Ca 0.29 -0.69 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1ktm h SER 921 Cb 0.99 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ktm h SER 921 CO 0.61 1.60 -0.13 -0.55 -1.14 0.00 0.00 176.83 177.22 1ktm h ASN 922 N 0.07 0.00 0.12 3.07 7.08 -1.94 -1.97 115.58 122.01 1ktm h ASN 922 Ca -0.32 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 52.60 1ktm h ASN 922 Cb 2.04 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 38.31 1ktm h ASN 922 CO 0.14 0.13 -1.23 -0.78 -2.08 0.00 0.00 177.43 173.60 1ktm h ASP 923 N 0.00 0.89 -0.28 6.14 3.58 -1.87 -2.92 116.42 121.95 1ktm h ASP 923 Ca -0.00 -0.81 0.04 0.00 0.42 0.00 0.00 57.03 56.68 1ktm h ASP 923 Cb 0.37 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1ktm h ASP 923 CO 0.02 1.61 0.05 0.50 -2.88 0.00 0.00 179.24 178.53 1ktm h LYS 924 N 0.29 0.15 -0.45 0.28 3.64 -1.32 1.46 116.57 120.62 1ktm h LYS 924 Ca -0.18 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1ktm h LYS 924 Cb 1.90 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.64 1ktm h LYS 924 CO 0.24 0.10 0.18 0.28 -2.27 0.00 0.00 179.45 177.97 1ktm h VAL 925 N 0.15 0.88 0.00 2.00 2.07 -1.50 0.23 116.25 120.08 1ktm h VAL 925 Ca 0.13 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1ktm h VAL 925 Cb 0.14 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ktm h VAL 925 CO -0.18 0.07 -0.30 1.88 0.02 0.00 0.00 177.57 179.05 1ktm h TYR 926 N 0.36 0.00 -0.20 1.57 -1.99 -1.11 -2.61 116.97 113.00 1ktm h TYR 926 Ca 0.21 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.80 1ktm h TYR 926 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1ktm h TYR 926 CO -0.14 0.30 -0.43 0.93 -0.00 0.00 0.00 178.16 178.82 1ktm h GLU 927 N 0.00 0.64 0.32 4.88 4.39 0.38 -2.33 114.58 122.86 1ktm h GLU 927 Ca -0.00 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1ktm h GLU 927 Cb 0.79 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ktm h GLU 927 CO 0.04 1.04 -0.15 -0.97 -1.16 0.00 0.00 179.01 177.81 1ktm h ASN 928 N 0.32 -0.37 -0.49 1.42 -0.73 -0.51 0.33 115.58 115.55 1ktm h ASN 928 Ca 0.00 -0.07 0.10 0.00 1.87 0.00 0.00 56.30 58.20 1ktm h ASN 928 Cb 1.04 0.09 -0.10 0.00 0.27 0.00 0.00 38.32 39.62 1ktm h ASN 928 CO 0.09 -0.16 -0.23 0.58 -0.37 0.00 0.00 177.43 177.35 1ktm h VAL 929 N -0.56 0.34 0.71 2.57 2.07 -1.52 0.71 116.25 120.57 1ktm h VAL 929 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ktm h VAL 929 Cb 0.41 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ktm h VAL 929 CO 0.07 0.00 -0.37 0.71 0.02 0.00 0.00 177.57 178.01 1ktm h THR 930 N -0.12 0.25 -0.34 2.57 1.35 -1.24 0.09 112.91 115.47 1ktm h THR 930 Ca 0.23 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.18 1ktm h THR 930 Cb 0.47 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1ktm h THR 930 CO -0.56 0.00 0.41 1.23 -0.25 0.00 0.00 175.52 176.35 1ktm h GLY 931 N -0.99 0.00 0.22 5.82 0.00 0.48 1.73 103.07 110.33 1ktm h GLY 931 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1ktm h GLY 931 CO 0.14 0.00 -0.10 -2.00 0.00 0.00 0.00 176.54 174.58 1ktm h LEU 932 N 0.00 -0.25 -1.22 3.11 5.85 0.13 -2.63 115.31 120.31 1ktm h LEU 932 Ca 0.16 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1ktm h LEU 932 Cb 0.98 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1ktm h LEU 932 CO -0.00 0.22 0.08 -0.37 -0.34 0.00 0.00 178.44 178.03 1ktm h VAL 933 N -1.08 1.19 -0.87 1.05 -1.51 -0.06 1.26 116.25 116.24 1ktm h VAL 933 Ca -0.03 -0.71 0.05 0.00 -1.23 0.00 0.00 66.70 64.78 1ktm h VAL 933 Cb 0.23 0.79 -0.05 0.00 -2.13 0.00 0.00 31.29 30.13 1ktm h VAL 933 CO 0.05 0.26 0.57 0.11 -1.23 0.00 0.00 177.57 177.32 1ktm h LYS 934 N 0.61 1.00 0.08 5.19 1.79 0.25 -2.05 116.57 123.44 1ktm h LYS 934 Ca 0.14 -0.06 -0.24 0.00 -2.18 0.00 0.00 60.65 58.31 1ktm h LYS 934 Cb 0.26 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1ktm h LYS 934 CO -0.00 0.66 -1.25 0.00 -1.08 0.00 0.00 179.45 177.78 1ktm h ALA 935 N 1.51 0.19 -0.94 3.86 0.00 -0.90 -2.70 119.26 120.27 1ktm h ALA 935 Ca 0.36 -1.07 0.39 0.00 0.00 0.00 0.00 54.91 54.60 1ktm h ALA 935 Cb 0.11 0.50 -0.17 0.00 0.00 0.00 0.00 17.79 18.23 1ktm h ALA 935 CO -0.12 0.73 0.50 1.55 0.00 0.00 0.00 179.25 181.92 1ktm n VAL 936 N -4.09 -0.40 -0.01 0.00 3.14 0.42 0.47 118.33 117.87 1ktm n VAL 936 Ca -0.25 1.92 -0.00 0.00 -2.96 0.00 0.00 64.34 63.04 1ktm n VAL 936 Cb 0.81 -3.11 -0.00 0.00 -1.06 0.00 0.00 33.84 30.48 1ktm n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1ktm h ILE 937 N 0.00 0.00 -0.53 1.55 2.04 -1.50 -3.36 117.51 115.71 1ktm h ILE 937 Ca 0.80 -0.24 0.20 0.00 1.00 0.00 0.00 64.86 66.62 1ktm h ILE 937 Cb 2.11 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.10 1ktm h ILE 937 CO -0.73 0.00 0.20 1.21 0.00 0.00 0.00 178.15 178.83 1ktm n GLU 938 N -2.72 -0.04 0.00 2.37 4.07 -0.62 -0.36 120.64 123.34 1ktm n GLU 938 Ca -0.01 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 1ktm n GLU 938 Cb 0.03 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 1ktm n GLU 938 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1ktm n MET 939 N -4.34 0.00 -0.57 5.31 2.81 0.18 -0.19 117.12 120.32 1ktm n MET 939 Ca 0.18 0.66 0.45 0.00 -1.81 0.00 0.00 57.70 57.18 1ktm n MET 939 Cb 0.59 -1.29 0.75 0.00 -0.71 0.00 0.00 33.22 32.57 1ktm n MET 939 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1ktm h SER 940 N 0.00 0.09 0.29 7.83 0.02 -0.87 1.41 113.55 122.32 1ktm h SER 940 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ktm h SER 940 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ktm h SER 940 CO 0.00 -0.08 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.19 1ktm h SER 941 N 0.03 -0.33 -0.71 3.07 0.87 -0.37 -2.84 113.55 113.27 1ktm h SER 941 Ca 0.86 -0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 61.06 1ktm h SER 941 Cb 3.17 0.09 -0.20 0.00 -0.44 0.00 0.00 62.40 65.01 1ktm h SER 941 CO -0.18 -0.19 0.32 2.29 -0.53 0.00 0.00 176.83 178.53 1ktm n LYS 942 N -5.24 2.31 -0.11 2.24 2.85 0.33 -4.43 118.16 116.11 1ktm n LYS 942 Ca -0.10 -3.08 -0.23 0.00 -1.05 0.00 0.00 58.31 53.86 1ktm n LYS 942 Cb 0.19 -2.04 -0.10 0.00 -0.65 0.00 0.00 35.03 32.43 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 -0.29 0.58 0.00 0.40 -2.53 119.36 118.04 1ktm n ILE 943 Ca 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 62.75 63.08 1ktm n ILE 943 Cb 1.38 -2.03 0.05 0.00 0.00 0.00 0.00 39.64 39.04 1ktm n ILE 943 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ktm h GLN 944 N -1.00 -0.06 0.03 9.51 -0.00 -1.77 -2.06 115.11 119.76 1ktm h GLN 944 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1ktm h GLN 944 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.83 1ktm h GLN 944 CO -0.26 -0.04 -0.02 -1.00 0.00 0.00 0.00 178.83 177.52 1ktm h PRO 945 N -0.06 -0.04 -4.35 -2.39 0.13 -1.85 -3.46 132.00 119.98 1ktm h PRO 945 Ca 0.32 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.85 1ktm h PRO 945 Cb 0.59 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.75 1ktm h PRO 945 CO -0.84 0.62 0.24 0.00 -0.23 0.00 0.00 178.00 177.78 1ktm n ALA 946 N -2.52 -2.03 -1.52 -0.56 0.00 -0.78 -4.89 120.51 108.21 1ktm n ALA 946 Ca -0.09 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1ktm n ALA 946 Cb 0.34 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.66 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 0.92 -0.03 0.29 0.00 0.04 -1.26 -4.79 135.00 130.17 1ktm s PRO 947 Ca 0.70 -0.16 0.26 0.00 0.04 0.00 0.00 61.00 61.84 1ktm s PRO 947 Cb -0.99 -1.74 0.89 0.00 0.04 0.00 0.00 34.50 32.70 1ktm s PRO 947 CO 0.49 -2.91 1.76 -1.00 0.04 0.00 0.00 177.00 175.38 1ktm h PRO 948 N -2.00 0.00 0.00 0.56 0.13 -1.92 0.99 132.00 129.76 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ktm h PRO 948 CO 0.40 0.00 -0.75 0.93 -0.23 0.00 0.00 178.00 178.35 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 5.08 -1.98 -3.11 114.58 115.42 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 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ktm h GLU 949 CO 0.00 0.00 -0.29 -1.91 -1.00 0.00 0.00 179.01 175.81 1ktm n GLU 950 N -2.51 2.37 -0.03 2.33 4.07 -1.02 -4.54 120.64 121.31 1ktm n GLU 950 Ca 0.02 -0.49 -0.21 0.00 -0.06 0.00 0.00 57.16 56.42 1ktm n GLU 950 Cb 0.51 -1.08 -0.13 0.00 -0.06 0.00 0.00 31.44 30.67 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 -0.47 0.99 -0.24 4.31 9.36 0.31 -2.80 117.16 128.63 1ktm n TYR 951 Ca 0.04 0.23 0.03 0.00 3.32 0.00 0.00 57.90 61.51 1ktm n TYR 951 Cb 0.21 -1.13 0.12 0.00 -0.63 0.00 0.00 39.34 37.91 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 -0.06 0.35 0.08 2.97 2.07 -1.78 -1.68 116.25 118.20 1ktm h VAL 952 Ca -0.45 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ktm h VAL 952 Cb 1.94 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1ktm h VAL 952 CO 0.02 0.01 -0.04 1.55 0.02 0.00 0.00 177.57 179.13 1ktm h PRO 953 N 0.06 -0.10 -0.60 1.57 0.13 -1.82 -2.83 132.00 128.42 1ktm h PRO 953 Ca 0.37 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.60 1ktm h PRO 953 Cb 0.61 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.66 1ktm h PRO 953 CO -0.66 0.46 -0.21 -0.12 -0.23 0.00 0.00 178.00 177.24 1ktm n MET 954 N -4.81 -0.12 0.07 0.86 1.56 -0.86 0.13 117.12 113.95 1ktm n MET 954 Ca -0.08 0.93 -0.13 0.00 -0.27 0.00 0.00 57.70 58.15 1ktm n MET 954 Cb 0.30 -1.38 -0.09 0.00 2.15 0.00 0.00 33.22 34.20 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ktm h VAL 955 N 0.00 0.97 -1.62 1.12 2.07 -1.43 -2.82 116.25 114.54 1ktm h VAL 955 Ca 0.23 -0.86 0.51 0.00 0.82 0.00 0.00 66.70 67.40 1ktm h VAL 955 Cb 0.38 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 1ktm h VAL 955 CO -0.60 0.19 1.11 0.11 0.02 0.00 0.00 177.57 178.40 1ktm h LYS 956 N -0.65 0.02 0.37 1.57 1.79 0.13 0.71 116.57 120.51 1ktm h LYS 956 Ca -0.02 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1ktm h LYS 956 Cb 0.48 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ktm h LYS 956 CO 0.04 0.01 -0.18 1.49 -1.08 0.00 0.00 179.45 179.73 1ktm h GLU 957 N 0.02 -0.48 -1.05 3.15 4.81 -0.25 -2.67 114.58 118.11 1ktm h GLU 957 Ca 0.89 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 60.43 1ktm h GLU 957 Cb 3.18 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 32.55 1ktm h GLU 957 CO -0.26 -0.18 0.64 -0.24 -0.73 0.00 0.00 179.01 178.24 1ktm h VAL 958 N -0.99 0.46 -0.79 0.32 3.04 0.52 0.85 116.25 119.66 1ktm h VAL 958 Ca -0.05 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 1ktm h VAL 958 Cb 0.52 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.76 1ktm h VAL 958 CO 0.08 0.08 0.35 1.23 -1.01 0.00 0.00 177.57 178.30 1ktm h GLY 959 N 0.42 1.23 1.28 3.17 0.00 -0.99 -2.12 103.07 106.07 1ktm h GLY 959 Ca 0.65 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1ktm h GLY 959 CO -0.42 0.60 -0.02 -2.00 0.00 0.00 0.00 176.54 174.70 1ktm h LEU 960 N 1.13 0.84 0.33 3.11 6.46 0.10 -2.35 115.31 124.94 1ktm h LEU 960 Ca 0.27 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1ktm h LEU 960 Cb 0.16 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1ktm h LEU 960 CO -0.03 0.92 -0.37 0.00 -0.62 0.00 0.00 178.44 178.34 1ktm h ALA 961 N 1.17 -0.78 -0.57 1.25 0.00 -0.54 -1.53 119.26 118.25 1ktm h ALA 961 Ca 0.15 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1ktm h ALA 961 Cb 0.51 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1ktm h ALA 961 CO 0.03 -0.98 0.01 -0.07 0.00 0.00 0.00 179.25 178.24 1ktm h LEU 962 N -0.74 -0.23 -0.59 0.00 -0.00 -1.32 0.23 115.31 112.66 1ktm h LEU 962 Ca -0.02 0.14 0.12 0.00 -0.00 0.00 0.00 57.88 58.12 1ktm h LEU 962 Cb 0.68 0.24 -0.12 0.00 -0.00 0.00 0.00 40.66 41.46 1ktm h LEU 962 CO -0.09 -0.09 -0.22 -0.09 -0.00 0.00 0.00 178.44 177.95 1ktm h ARG 963 N 0.13 -0.07 0.18 1.13 9.65 -0.83 -1.05 114.38 123.52 1ktm h ARG 963 Ca 0.30 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 1ktm h ARG 963 Cb 0.47 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1ktm h ARG 963 CO -0.48 -0.05 -0.09 1.15 2.80 0.00 0.00 179.97 183.31 1ktm h THR 964 N -0.07 0.91 -1.04 0.20 2.02 -0.08 -2.69 112.91 112.16 1ktm h THR 964 Ca 0.27 -0.46 0.42 0.00 0.77 0.00 0.00 66.41 67.41 1ktm h THR 964 Cb 0.50 1.19 -0.16 0.00 -1.74 0.00 0.00 68.15 67.93 1ktm h THR 964 CO -0.64 0.11 0.59 -0.11 0.37 0.00 0.00 175.52 175.83 1ktm n LEU 965 N -5.09 0.31 0.34 2.58 0.00 0.62 0.52 117.00 116.26 1ktm n LEU 965 Ca -0.09 1.53 -0.13 0.00 0.00 0.00 0.00 56.01 57.32 1ktm n LEU 965 Cb 0.20 -0.75 -0.06 0.00 0.00 0.00 0.00 43.42 42.80 1ktm n LEU 965 CO 0.33 -1.71 0.44 -0.07 0.00 0.00 0.00 177.39 176.38 1ktm h LEU 966 N 0.00 -0.74 -0.11 -1.96 4.07 -0.90 0.38 115.31 116.05 1ktm h LEU 966 Ca 0.82 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.84 1ktm h LEU 966 Cb 2.29 0.19 -0.06 0.00 1.08 0.00 0.00 40.66 44.15 1ktm h LEU 966 CO -0.67 -0.46 -0.48 0.00 -1.08 0.00 0.00 178.44 175.74 1ktm h ALA 967 N -1.46 -0.75 -0.92 1.53 0.00 0.21 0.41 119.26 118.27 1ktm h ALA 967 Ca -0.09 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1ktm h ALA 967 Cb 0.67 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1ktm h ALA 967 CO 0.15 -1.01 0.51 1.79 0.00 0.00 0.00 179.25 180.68 1ktm h THR 968 N -0.56 0.70 -0.65 0.00 1.35 -0.26 0.19 112.91 113.68 1ktm h THR 968 Ca 0.05 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1ktm h THR 968 Cb 0.67 -0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 1ktm h THR 968 CO -0.41 0.12 0.37 0.58 -0.25 0.00 0.00 175.52 175.93 1ktm h VAL 969 N 0.66 1.20 -1.03 6.82 2.07 0.20 -1.46 116.25 124.72 1ktm h VAL 969 Ca 0.52 -0.48 0.25 0.00 0.82 0.00 0.00 66.70 67.81 1ktm h VAL 969 Cb 0.79 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 1ktm h VAL 969 CO -0.39 0.21 0.64 -0.78 0.02 0.00 0.00 177.57 177.27 1ktm h ASP 970 N 0.88 0.56 1.18 0.57 3.58 0.29 1.82 116.42 125.30 1ktm h ASP 970 Ca 0.23 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.70 1ktm h ASP 970 Cb 0.02 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1ktm h ASP 970 CO -0.04 0.10 -0.39 -0.33 -2.88 0.00 0.00 179.24 175.70 1ktm h GLU 971 N 0.49 0.00 0.00 0.28 5.08 -0.97 -3.05 114.58 116.41 1ktm h GLU 971 Ca 0.62 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.80 1ktm h GLU 971 Cb 1.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1ktm h GLU 971 CO -0.37 0.39 -1.09 1.03 -1.00 0.00 0.00 179.01 177.97 1ktm h SER 972 N 0.00 0.00 -0.84 1.42 0.87 0.27 -3.24 113.55 112.03 1ktm h SER 972 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 1ktm h SER 972 Cb 1.09 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 1ktm h SER 972 CO 0.05 0.70 -0.32 0.25 -0.53 0.00 0.00 176.83 176.98 1ktm h LEU 973 N 0.00 -1.17 -0.26 2.23 6.46 0.19 0.30 115.31 123.06 1ktm h LEU 973 Ca -0.10 0.27 -0.21 0.00 -0.12 0.00 0.00 57.88 57.72 1ktm h LEU 973 Cb 1.62 0.64 -0.00 0.00 -0.73 0.00 0.00 40.66 42.19 1ktm h LEU 973 CO 0.07 -0.29 -0.86 1.55 -0.62 0.00 0.00 178.44 178.29 1ktm h PRO 974 N -0.05 0.41 -1.19 5.25 0.13 -1.71 -3.12 132.00 131.72 1ktm h PRO 974 Ca 0.33 -0.40 0.34 0.00 -0.87 0.00 0.00 66.00 65.40 1ktm h PRO 974 Cb 0.60 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.75 1ktm h PRO 974 CO -0.87 1.06 0.82 0.28 -0.23 0.00 0.00 178.00 179.06 1ktm h VAL 975 N 0.25 0.39 -3.27 1.56 2.07 -0.49 -3.38 116.25 113.39 1ktm h VAL 975 Ca -0.06 -0.05 -0.65 0.00 0.82 0.00 0.00 66.70 66.76 1ktm h VAL 975 Cb 1.47 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 31.36 1ktm h VAL 975 CO 0.15 0.03 -0.63 -0.76 0.02 0.00 0.00 177.57 176.38 1ktm s LEU 976 N -8.93 3.64 0.67 2.57 2.01 -0.34 -4.96 118.68 113.34 1ktm s LEU 976 Ca -0.07 -0.04 -0.12 0.00 0.01 0.00 0.00 54.13 53.91 1ktm s LEU 976 Cb 0.25 -2.27 -0.00 0.00 0.01 0.00 0.00 46.19 44.18 1ktm s LEU 976 CO 0.81 0.21 1.06 -2.16 1.01 0.00 0.00 176.35 177.28 1ktm s PRO 977 N -2.11 3.05 1.11 1.29 0.04 -1.26 -4.88 135.00 132.25 1ktm s PRO 977 Ca 0.25 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1ktm s PRO 977 Cb -0.12 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1ktm s PRO 977 CO 0.17 -1.01 0.33 0.00 0.04 0.00 0.00 177.00 176.54 1ktm n ALA 978 N -2.86 -2.35 0.00 8.56 0.00 -1.26 -3.49 120.51 119.11 1ktm n ALA 978 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1ktm n ALA 978 Cb 0.53 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.13 0.00 -0.00 0.00 2.88 -1.26 -4.66 113.62 108.44 1ktm n SER 979 Ca 0.06 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1ktm n SER 979 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1ktm n SER 979 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ktm n THR 980 N -2.00 0.00 0.20 2.46 5.66 -1.23 -4.69 114.28 114.69 1ktm n THR 980 Ca 0.00 -0.31 -0.13 0.00 -3.05 0.00 0.00 64.05 60.56 1ktm n THR 980 Cb 0.00 0.82 -0.07 0.00 -1.55 0.00 0.00 70.33 69.53 1ktm n THR 980 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1ktm h HIS 981 N 0.00 -0.51 0.00 1.09 3.86 -1.83 -1.32 115.15 116.43 1ktm h HIS 981 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ktm h HIS 981 Cb 0.12 0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1ktm h HIS 981 CO 0.00 -0.19 0.00 0.54 0.86 0.00 0.00 177.93 179.14 1ktm n ARG 982 N -5.18 0.00 -0.31 2.45 1.74 -1.26 0.14 116.66 114.23 1ktm n ARG 982 Ca -0.10 0.70 0.11 0.00 -0.77 0.00 0.00 57.85 57.79 1ktm n ARG 982 Cb 0.29 -1.13 0.28 0.00 -1.02 0.00 0.00 32.46 30.87 1ktm n ARG 982 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ktm h GLU 983 N 0.00 0.58 -0.61 5.56 4.81 -1.85 0.19 114.58 123.26 1ktm h GLU 983 Ca 0.00 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1ktm h GLU 983 Cb 0.00 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.18 1ktm h GLU 983 CO 0.00 0.39 0.22 0.82 -0.73 0.00 0.00 179.01 179.70 1ktm h ILE 984 N 0.60 0.76 -0.40 2.32 2.04 0.96 1.40 117.51 125.18 1ktm h ILE 984 Ca 0.52 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 66.31 1ktm h ILE 984 Cb 0.84 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1ktm h ILE 984 CO -0.41 0.07 0.08 -0.08 0.00 0.00 0.00 178.15 177.81 1ktm h GLU 985 N 0.39 0.20 0.00 2.37 4.22 0.44 -0.15 114.58 122.06 1ktm h GLU 985 Ca 0.31 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.60 1ktm h GLU 985 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ktm h GLU 985 CO -0.32 0.13 -0.63 0.52 -2.18 0.00 0.00 179.01 176.54 1ktm h MET 986 N 0.21 0.00 0.00 1.92 2.86 -0.74 -2.74 114.93 116.44 1ktm h MET 986 Ca 0.20 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1ktm h MET 986 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ktm h MET 986 CO -0.26 0.63 -0.13 0.00 1.06 0.00 0.00 176.91 178.21 1ktm h ALA 987 N 1.37 1.23 0.13 6.32 0.00 0.31 -1.40 119.26 127.23 1ktm h ALA 987 Ca -0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1ktm h ALA 987 Cb 1.16 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ktm h ALA 987 CO 0.08 0.17 -0.83 1.96 0.00 0.00 0.00 179.25 180.63 1ktm h GLN 988 N 0.00 0.28 -0.82 0.00 4.20 -0.78 -2.92 115.11 115.07 1ktm h GLN 988 Ca -0.00 -0.48 0.03 0.00 0.06 0.00 0.00 58.65 58.25 1ktm h GLN 988 Cb 0.40 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1ktm h GLN 988 CO 0.02 1.23 0.54 -0.22 -0.67 0.00 0.00 178.83 179.73 1ktm h LYS 989 N -0.40 1.01 0.86 1.46 3.64 -1.26 0.35 116.57 122.23 1ktm h LYS 989 Ca -0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1ktm h LYS 989 Cb 1.63 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1ktm h LYS 989 CO 0.14 0.67 -0.41 1.25 -2.27 0.00 0.00 179.45 178.83 1ktm h LEU 990 N 1.05 -0.98 -0.73 5.20 6.46 -1.34 1.00 115.31 125.96 1ktm h LEU 990 Ca 0.32 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 58.22 1ktm h LEU 990 Cb -0.01 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 1ktm h LEU 990 CO -0.09 -0.65 0.35 0.25 -0.62 0.00 0.00 178.44 177.69 1ktm h LEU 991 N -1.26 0.43 -0.57 2.25 5.85 -1.27 0.49 115.31 121.23 1ktm h LEU 991 Ca -0.12 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1ktm h LEU 991 Cb 0.89 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1ktm h LEU 991 CO 0.19 0.22 0.23 0.78 -0.34 0.00 0.00 178.44 179.53 1ktm h ASN 992 N 0.57 0.78 0.06 1.25 2.35 -0.12 0.66 115.58 121.13 1ktm h ASN 992 Ca 0.38 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1ktm h ASN 992 Cb 0.45 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1ktm h ASN 992 CO -0.31 0.73 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.79 1ktm h SER 993 N 0.78 -0.40 -0.67 5.81 0.87 0.32 0.33 113.55 120.58 1ktm h SER 993 Ca 0.19 0.04 0.17 0.00 -1.23 0.00 0.00 61.79 60.96 1ktm h SER 993 Cb 0.19 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1ktm h SER 993 CO -0.02 -0.15 0.47 0.44 -0.53 0.00 0.00 176.83 177.04 1ktm h ASP 994 N -0.22 0.16 0.71 6.23 5.19 -1.20 -0.72 116.42 126.57 1ktm h ASP 994 Ca -0.01 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1ktm h ASP 994 Cb 0.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1ktm h ASP 994 CO -0.06 0.08 -0.39 0.25 -3.12 0.00 0.00 179.24 176.01 1ktm h LEU 995 N 0.17 -0.94 0.04 1.55 5.85 0.49 0.26 115.31 122.72 1ktm h LEU 995 Ca 0.33 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.12 1ktm h LEU 995 Cb 1.05 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1ktm h LEU 995 CO -0.05 -0.63 -0.24 0.00 -0.34 0.00 0.00 178.44 177.18 1ktm h ALA 996 N -0.76 -0.35 -0.81 1.25 0.00 0.94 0.13 119.26 119.66 1ktm h ALA 996 Ca -0.09 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1ktm h ALA 996 Cb 0.80 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1ktm h ALA 996 CO 0.13 -0.75 0.56 1.49 0.00 0.00 0.00 179.25 180.68 1ktm h GLU 997 N -0.40 0.14 0.04 0.00 4.57 -1.06 0.32 114.58 118.19 1ktm h GLU 997 Ca 0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ktm h GLU 997 Cb 0.46 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1ktm h GLU 997 CO -0.19 0.09 -0.02 1.25 -1.18 0.00 0.00 179.01 178.97 1ktm h LEU 998 N 0.15 -0.04 -0.61 1.64 6.46 0.17 -0.35 115.31 122.72 1ktm h LEU 998 Ca 0.40 -0.51 0.13 0.00 -0.12 0.00 0.00 57.88 57.77 1ktm h LEU 998 Cb 1.35 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.18 1ktm h LEU 998 CO -0.06 0.50 -0.05 0.40 -0.62 0.00 0.00 178.44 178.61 1ktm h ILE 999 N -0.61 0.46 0.32 4.05 1.08 0.12 0.16 117.51 123.08 1ktm h ILE 999 Ca -0.01 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1ktm h ILE 999 Cb 0.55 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1ktm h ILE 999 CO 0.01 0.01 -0.16 -1.13 -0.69 0.00 0.00 178.15 176.20 1ktm h ASN 1000N 0.07 -0.37 -0.99 1.72 -1.24 -1.23 -2.05 115.58 111.50 1ktm h ASN 1000Ca 0.31 -0.07 0.34 0.00 0.71 0.00 0.00 56.30 57.59 1ktm h ASN 1000Cb 0.50 0.10 -0.17 0.00 0.73 0.00 0.00 38.32 39.47 1ktm h ASN 1000CO -0.56 -0.15 0.34 0.11 -1.29 0.00 0.00 177.43 175.88 1ktm h LYS 1001N -0.57 0.06 -0.17 6.67 1.79 0.36 1.00 116.57 125.72 1ktm h LYS 1001Ca -0.04 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ktm h LYS 1001Cb 0.42 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1ktm h LYS 1001CO 0.07 0.04 0.02 1.98 -1.08 0.00 0.00 179.45 180.48 1ktm h MET 1002N 0.06 0.28 -0.26 3.15 4.05 -0.59 0.32 114.93 121.94 1ktm h MET 1002Ca 0.73 -0.08 0.07 0.00 -0.28 0.00 0.00 59.70 60.14 1ktm h MET 1002Cb 1.74 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.50 1ktm h MET 1002CO -0.79 0.47 0.25 0.87 0.23 0.00 0.00 176.91 177.94 1ktm h LYS 1003N 0.05 0.00 0.00 0.39 1.57 0.16 0.53 116.57 119.27 1ktm h LYS 1003Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1ktm h LYS 1003Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ktm h LYS 1003CO 0.01 0.00 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.47 1ktm h LEU 1004N 0.00 0.00 -0.88 2.94 3.38 -0.32 -3.35 115.31 117.07 1ktm h LEU 1004Ca 0.12 -0.38 0.24 0.00 0.09 0.00 0.00 57.88 57.95 1ktm h LEU 1004Cb 0.62 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.23 1ktm h LEU 1004CO -0.00 0.88 0.18 0.00 0.09 0.00 0.00 178.44 179.59 1ktm h ALA 1005N -0.62 1.21 -0.96 1.53 0.00 0.32 0.64 119.26 121.38 1ktm h ALA 1005Ca -0.07 0.25 0.30 0.00 0.00 0.00 0.00 54.91 55.39 1ktm h ALA 1005Cb 0.63 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 1ktm h ALA 1005CO -0.04 -0.49 0.24 0.37 0.00 0.00 0.00 179.25 179.33 1ktm h GLN 1006N 0.16 0.08 0.00 0.00 4.15 -1.05 0.15 115.11 118.59 1ktm h GLN 1006Ca 0.55 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 1ktm h GLN 1006Cb 1.11 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1ktm h GLN 1006CO -0.70 0.05 0.00 0.94 -1.93 0.00 0.00 178.83 177.19 1ktm n GLN 1007N -5.33 0.00 -0.18 1.69 7.27 0.22 -3.74 117.38 117.31 1ktm n GLN 1007Ca 0.27 0.25 0.16 0.00 0.07 0.00 0.00 57.00 57.75 1ktm n GLN 1007Cb 0.88 -0.89 0.28 0.00 2.41 0.00 0.00 30.24 32.93 1ktm n GLN 1007CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ktm n TYR 1008N -1.25 0.41 -0.30 3.69 4.02 -0.96 0.11 117.16 122.89 1ktm n TYR 1008Ca 0.00 0.42 0.02 0.00 -0.01 0.00 0.00 57.90 58.33 1ktm n TYR 1008Cb 0.00 -0.83 0.07 0.00 -0.02 0.00 0.00 39.34 38.57 1ktm n TYR 1008CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ktm n VAL 1009N -3.77 -0.39 0.00 -0.72 0.31 0.49 -1.12 118.33 113.13 1ktm n VAL 1009Ca 0.17 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.40 1ktm n VAL 1009Cb 0.64 -2.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 1ktm n VAL 1009CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1ktm n MET 1010N -5.27 0.00 0.00 5.55 0.00 0.31 -4.35 117.12 113.36 1ktm n MET 1010Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 57.70 58.24 1ktm n MET 1010Cb 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 33.22 32.92 1ktm n MET 1010CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1ktm n THR 1011N -2.20 0.00 -0.02 3.17 5.66 -0.28 -5.00 114.28 115.61 1ktm n THR 1011Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1ktm n THR 1011Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ktm n THR 1011CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ktm n SER 1012N 0.00 3.15 -0.67 1.09 3.41 -1.26 -4.55 113.62 114.80 1ktm n SER 1012Ca 0.00 0.00 0.50 0.00 -0.26 0.00 0.00 58.87 59.11 1ktm n SER 1012Cb 0.00 1.06 0.78 0.00 -0.26 0.00 0.00 64.21 65.79 1ktm n SER 1012CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ktm n LEU 1013N -2.00 0.01 -0.36 1.04 0.00 -1.26 -0.19 117.00 114.23 1ktm n LEU 1013Ca -0.06 0.96 -0.04 0.00 0.00 0.00 0.00 56.01 56.87 1ktm n LEU 1013Cb 0.45 -0.48 -0.00 0.00 0.00 0.00 0.00 43.42 43.39 1ktm n LEU 1013CO 0.17 -0.97 0.51 1.67 0.00 0.00 0.00 177.39 178.76 1ktm n GLN 1014N -3.86 -0.27 -0.31 1.96 7.27 -1.25 0.17 117.38 121.09 1ktm n GLN 1014Ca 0.42 1.40 0.24 0.00 0.07 0.00 0.00 57.00 59.13 1ktm n GLN 1014Cb 1.90 -2.07 0.44 0.00 2.41 0.00 0.00 30.24 32.93 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 -5.28 -0.06 0.23 3.69 10.64 0.73 0.11 117.38 127.42 1ktm n GLN 1015Ca 0.07 1.33 -0.15 0.00 -1.83 0.00 0.00 57.00 56.42 1ktm n GLN 1015Cb 0.33 -2.28 -0.08 0.00 -0.86 0.00 0.00 30.24 27.35 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 -0.51 -0.63 2.61 4.81 0.15 -2.67 114.58 118.34 1ktm h GLU 1016Ca 0.71 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 60.00 1ktm h GLU 1016Cb 1.74 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 31.20 1ktm h GLU 1016CO -0.78 -0.30 0.42 1.88 -0.73 0.00 0.00 179.01 179.50 1ktm h TYR 1017N -0.59 0.73 -0.56 0.92 -1.99 0.94 -1.95 116.97 114.47 1ktm h TYR 1017Ca -0.05 0.02 0.11 0.00 2.00 0.00 0.00 58.73 60.81 1ktm h TYR 1017Cb 0.44 -0.25 -0.09 0.00 2.00 0.00 0.00 36.73 38.83 1ktm h TYR 1017CO -0.03 0.43 -0.00 0.87 -0.00 0.00 0.00 178.16 179.43 1ktm h LYS 1018N 0.76 0.11 -0.70 4.88 6.56 0.10 0.19 116.57 128.48 1ktm h LYS 1018Ca 0.25 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 1ktm h LYS 1018Cb 0.04 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.65 1ktm h LYS 1018CO -0.07 0.07 0.39 0.87 -2.06 0.00 0.00 179.45 178.66 1ktm h LYS 1019N 0.12 0.97 -0.19 3.15 6.56 -1.15 -2.71 116.57 123.32 1ktm h LYS 1019Ca 0.29 -0.11 0.05 0.00 -1.06 0.00 0.00 60.65 59.82 1ktm h LYS 1019Cb 0.44 -0.19 -0.06 0.00 -0.57 0.00 0.00 32.23 31.85 1ktm h LYS 1019CO -0.47 0.71 -0.22 1.96 -2.06 0.00 0.00 179.45 179.37 1ktm h GLN 1020N 0.96 -0.24 -0.56 3.15 1.08 -0.42 -1.46 115.11 117.62 1ktm h GLN 1020Ca 0.25 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.57 1ktm h GLN 1020Cb 0.02 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.39 1ktm h GLN 1020CO -0.04 -0.16 -0.26 1.98 -0.95 0.00 0.00 178.83 179.40 1ktm h MET 1021N -0.24 -0.12 -0.46 1.46 4.05 -0.70 0.10 114.93 119.03 1ktm h MET 1021Ca 0.12 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.63 1ktm h MET 1021Cb 0.43 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 1ktm h MET 1021CO -0.34 -0.08 0.02 1.25 0.23 0.00 0.00 176.91 178.00 1ktm h LEU 1022N -0.12 -0.16 -0.94 3.39 7.12 -1.19 -1.07 115.31 122.33 1ktm h LEU 1022Ca 0.25 0.10 0.11 0.00 0.13 0.00 0.00 57.88 58.47 1ktm h LEU 1022Cb 0.51 0.18 -0.13 0.00 -0.53 0.00 0.00 40.66 40.69 1ktm h LEU 1022CO -0.63 -0.04 -0.48 0.41 -0.13 0.00 0.00 178.44 177.57 1ktm n THR 1023N -5.20 -0.58 -0.09 1.05 -1.04 0.34 0.65 114.28 109.41 1ktm n THR 1023Ca 0.04 2.25 -0.09 0.00 -2.04 0.00 0.00 64.05 64.22 1ktm n THR 1023Cb 0.24 -2.86 -0.02 0.00 -1.82 0.00 0.00 70.33 65.87 1ktm n THR 1023CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ktm h ALA 1024N 0.82 0.40 -1.09 2.41 0.00 -1.13 -1.43 119.26 119.24 1ktm h ALA 1024Ca 0.23 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1ktm h ALA 1024Cb 0.46 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1ktm h ALA 1024CO -0.91 -0.08 0.74 0.00 0.00 0.00 0.00 179.25 179.00 1ktm h ALA 1025N 1.04 2.58 0.25 0.00 0.00 0.15 1.72 119.26 125.00 1ktm h ALA 1025Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ktm h ALA 1025Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ktm h ALA 1025CO -0.02 -0.96 -0.12 1.25 0.00 0.00 0.00 179.25 179.40 1ktm h HIS 1026N 0.23 -0.32 -0.42 0.00 2.76 0.85 -0.04 115.15 118.22 1ktm h HIS 1026Ca 0.58 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.67 1ktm h HIS 1026Cb 1.81 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.86 1ktm h HIS 1026CO -0.00 0.01 -0.05 0.00 -1.30 0.00 0.00 177.93 176.59 1ktm h ALA 1027N -0.04 1.13 0.29 5.26 0.00 -0.30 -2.87 119.26 122.73 1ktm h ALA 1027Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ktm h ALA 1027Cb 0.47 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ktm h ALA 1027CO 0.06 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 179.61 1ktm h LEU 1028N 0.65 -0.44 -0.98 0.00 3.38 0.25 1.51 115.31 119.69 1ktm h LEU 1028Ca 0.12 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.52 1ktm h LEU 1028Cb 0.48 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.19 1ktm h LEU 1028CO 0.02 -0.27 0.54 0.00 0.09 0.00 0.00 178.44 178.82 1ktm n ALA 1029N -2.31 1.00 -0.01 1.53 0.00 -0.04 0.14 120.51 120.82 1ktm n ALA 1029Ca -0.05 0.94 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1ktm n ALA 1029Cb 0.18 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 1.23 -0.79 0.00 2.07 -1.17 -2.48 116.25 115.11 1ktm h VAL 1030Ca 0.80 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1ktm h VAL 1030Cb 2.17 2.13 -0.11 0.00 -1.52 0.00 0.00 31.29 33.95 1ktm h VAL 1030CO -0.69 0.34 -0.55 0.44 0.02 0.00 0.00 177.57 177.14 1ktm h ASP 1031N -0.80 -1.95 -0.55 0.57 3.32 1.07 1.86 116.42 119.93 1ktm h ASP 1031Ca -0.01 0.30 0.08 0.00 0.02 0.00 0.00 57.03 57.42 1ktm h ASP 1031Cb 0.63 0.86 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 1ktm h ASP 1031CO 0.01 -0.30 0.37 0.00 -1.72 0.00 0.00 179.24 177.61 1ktm h ALA 1032N 0.43 1.96 0.00 3.45 0.00 -0.94 -1.08 119.26 123.09 1ktm h ALA 1032Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ktm h ALA 1032Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ktm h ALA 1032CO -0.82 -0.07 -0.00 -0.22 0.00 0.00 0.00 179.25 178.14 1ktm h LYS 1033N 0.42 -0.00 0.00 0.00 1.63 0.27 -2.09 116.57 116.80 1ktm h LYS 1033Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1ktm h LYS 1033Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1ktm h LYS 1033CO -0.07 0.32 0.12 -0.97 -3.45 0.00 0.00 179.45 175.41 1ktm h ASN 1034N -0.33 0.00 0.46 4.20 -0.73 0.30 0.92 115.58 120.40 1ktm h ASN 1034Ca -0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1ktm h ASN 1034Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1ktm h ASN 1034CO 0.00 0.00 -0.22 0.25 -0.37 0.00 0.00 177.43 177.09 1ktm h LEU 1035N 0.00 -0.52 -0.39 0.34 6.46 -0.58 -2.88 115.31 117.74 1ktm h LEU 1035Ca 0.00 -0.06 -0.18 0.00 -0.12 0.00 0.00 57.88 57.52 1ktm h LEU 1035Cb 0.25 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1ktm h LEU 1035CO 0.00 -0.11 -0.63 -0.07 -0.62 0.00 0.00 178.44 177.01 1ktm h LEU 1036N -1.07 0.71 -0.47 2.25 4.07 -1.10 -3.05 115.31 116.65 1ktm h LEU 1036Ca -0.06 -0.41 0.05 0.00 0.08 0.00 0.00 57.88 57.53 1ktm h LEU 1036Cb 0.55 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.02 1ktm h LEU 1036CO 0.10 1.16 -0.39 -0.78 -1.08 0.00 0.00 178.44 177.45 1ktm h ASP 1037N 0.46 -1.38 -0.80 -0.43 1.82 0.76 1.09 116.42 117.94 1ktm h ASP 1037Ca -0.01 0.20 0.11 0.00 -0.39 0.00 0.00 57.03 56.94 1ktm h ASP 1037Cb 1.21 0.59 -0.08 0.00 0.68 0.00 0.00 39.33 41.73 1ktm h ASP 1037CO 0.12 -0.22 0.42 1.62 -1.61 0.00 0.00 179.24 179.57 1ktm h VAL 1038N -0.15 0.82 -0.65 2.25 3.04 -1.56 0.57 116.25 120.58 1ktm h VAL 1038Ca 0.08 -0.23 0.08 0.00 -1.01 0.00 0.00 66.70 65.62 1ktm h VAL 1038Cb 0.35 0.09 -0.06 0.00 -2.01 0.00 0.00 31.29 29.66 1ktm h VAL 1038CO -0.52 0.12 0.31 0.40 -1.01 0.00 0.00 177.57 176.87 1ktm h ILE 1039N 0.67 0.87 -1.00 3.17 2.04 -0.10 0.80 117.51 123.95 1ktm h ILE 1039Ca 0.41 -0.19 0.19 0.00 1.00 0.00 0.00 64.86 66.27 1ktm h ILE 1039Cb 0.48 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.72 1ktm h ILE 1039CO -0.30 0.10 0.61 -0.78 0.00 0.00 0.00 178.15 177.78 1ktm h ASP 1040N 0.55 0.76 0.84 1.72 3.58 0.33 1.41 116.42 125.61 1ktm h ASP 1040Ca 0.31 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 1ktm h ASP 1040Cb 0.30 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ktm h ASP 1040CO -0.25 0.26 -0.08 -0.61 -2.88 0.00 0.00 179.24 175.68 1ktm h GLN 1041N 0.73 0.00 0.00 0.28 4.15 -0.55 -3.02 115.11 116.70 1ktm h GLN 1041Ca 0.58 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.96 1ktm h GLN 1041Cb 0.94 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1ktm h GLN 1041CO -0.37 0.08 -0.39 0.00 -1.93 0.00 0.00 178.83 176.23 1ktm h ALA 1042N 1.92 0.05 -0.90 3.38 0.00 0.22 -3.14 119.26 120.79 1ktm h ALA 1042Ca -0.00 -0.46 0.31 0.00 0.00 0.00 0.00 54.91 54.76 1ktm h ALA 1042Cb 0.53 0.29 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 1ktm h ALA 1042CO 0.01 0.29 0.26 -2.13 0.00 0.00 0.00 179.25 177.67 1ktm n ARG 1043N -4.64 -0.06 -0.01 0.00 0.63 0.17 0.19 116.66 112.94 1ktm n ARG 1043Ca -0.10 1.29 -0.13 0.00 -0.92 0.00 0.00 57.85 58.00 1ktm n ARG 1043Cb 0.29 -2.18 -0.09 0.00 0.45 0.00 0.00 32.46 30.93 1ktm n ARG 1043CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1ktm h LEU 1044N 0.00 0.06 -1.94 6.15 8.10 -1.67 -1.79 115.31 124.22 1ktm h LEU 1044Ca 0.65 -0.35 0.56 0.00 0.11 0.00 0.00 57.88 58.85 1ktm h LEU 1044Cb 1.58 -0.02 -0.08 0.00 -0.44 0.00 0.00 40.66 41.71 1ktm h LEU 1044CO -0.77 0.39 1.41 0.11 -4.11 0.00 0.00 178.44 175.48 1ktm h LYS 1045N -0.28 0.00 0.00 0.17 1.57 0.22 0.46 116.57 118.71 1ktm h LYS 1045Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1ktm h LYS 1045Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1ktm h LYS 1045CO 0.00 0.00 -0.66 1.98 -0.57 0.00 0.00 179.45 180.20 1ktm h MET 1046N 0.00 0.00 -0.65 3.15 4.05 -0.99 -3.39 114.93 117.11 1ktm h MET 1046Ca 0.91 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 60.42 1ktm h MET 1046Cb 3.72 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 34.41 1ktm h MET 1046CO -0.01 0.56 -0.48 0.82 0.23 0.00 0.00 176.91 178.03 1ktm h ILE 1047N -1.00 0.05 -0.03 1.77 2.04 0.66 -0.36 117.51 120.64 1ktm h ILE 1047Ca -0.14 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.07 1ktm h ILE 1047Cb 0.84 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1ktm h ILE 1047CO -0.08 0.00 3.61 -0.24 0.00 0.00 0.00 178.15 181.43 1ktm n SER 1048N -5.38 8.58 0.11 1.72 2.88 0.20 -3.78 113.62 117.95 1ktm n SER 1048Ca 0.02 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1ktm n SER 1048Cb 0.34 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 1ktm n SER 1048CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ktm n GLN 1049N 3.47 0.00 -3.15 -1.46 6.02 -0.17 -4.90 117.38 117.19 1ktm n GLN 1049Ca 0.77 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.80 1ktm n GLN 1049Cb 0.27 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.52 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ktm s SER 1050N -1.85 -1.42 -0.50 1.08 0.15 -1.05 -5.11 113.70 104.99 1ktm s SER 1050Ca 0.00 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 1ktm s SER 1050Cb 0.00 2.02 0.13 0.00 -1.71 0.00 0.00 66.02 66.46 1ktm s SER 1050CO 0.00 -0.26 0.31 -0.60 1.20 0.00 0.00 173.24 173.89 1ktm s ARG 1051N 2.85 2.28 0.00 5.44 3.52 -1.26 -4.85 118.95 126.93 1ktm s ARG 1051Ca 0.15 -2.09 0.00 0.00 -0.13 0.00 0.00 55.73 53.65 1ktm s ARG 1051Cb -0.12 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1ktm s ARG 1051CO -0.23 -1.13 0.00 -0.35 -0.81 0.00 0.00 175.30 172.78 1ktm n PRO 1052N 4.20 -0.43 0.00 5.12 -0.04 -1.26 -5.19 135.00 137.39 1ktm n PRO 1052Ca 0.01 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.62 1ktm n PRO 1052Cb 0.40 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.58 1ktm n PRO 1052CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07