#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktm s ALA 916 N 0.00 2.94 0.29 3.17 0.00 -1.26 -4.91 121.76 121.99 1ktm s ALA 916 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1ktm s ALA 916 Cb 0.00 -3.33 0.73 0.00 0.00 0.00 0.00 23.12 20.52 1ktm s ALA 916 CO 0.00 -0.49 1.66 -2.95 0.00 0.00 0.00 175.76 173.98 1ktm h ASN 917 N 1.94 0.10 -1.95 0.00 -1.07 -2.10 -0.16 115.58 112.33 1ktm h ASN 917 Ca -0.49 0.19 -0.61 0.00 0.07 0.00 0.00 56.30 55.46 1ktm h ASN 917 Cb 1.24 0.23 -0.41 0.00 -2.07 0.00 0.00 38.32 37.31 1ktm h ASN 917 CO 0.60 -0.12 -0.53 0.18 0.07 0.00 0.00 177.43 177.63 1ktm n LEU 918 N -5.18 4.85 -0.04 6.14 4.32 -1.26 -4.72 117.00 121.11 1ktm n LEU 918 Ca 0.22 -5.44 -0.08 0.00 -0.02 0.00 0.00 56.01 50.68 1ktm n LEU 918 Cb 0.69 -0.57 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 1ktm n LEU 918 CO 0.08 2.27 -0.55 -0.67 -1.22 0.00 0.00 177.39 177.30 1ktm n ASP 919 N -0.35 1.37 -3.74 -1.43 2.03 -0.07 -4.75 116.55 109.61 1ktm n ASP 919 Ca 0.36 0.22 -0.42 0.00 0.52 0.00 0.00 54.79 55.47 1ktm n ASP 919 Cb 0.49 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1ktm n ASP 919 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ktm n ARG 920 N -3.88 3.73 0.02 -0.67 3.00 -1.26 -4.55 116.66 113.07 1ktm n ARG 920 Ca -0.14 -3.33 -0.16 0.00 -0.00 0.00 0.00 57.85 54.22 1ktm n ARG 920 Cb 0.40 -2.90 -0.14 0.00 0.00 0.00 0.00 32.46 29.82 1ktm n ARG 920 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1ktm h SER 921 N 5.50 0.29 0.10 6.15 0.02 -1.92 -3.30 113.55 120.39 1ktm h SER 921 Ca 0.50 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1ktm h SER 921 Cb 0.54 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ktm h SER 921 CO 1.64 1.46 -0.03 0.78 -1.14 0.00 0.00 176.83 179.54 1ktm h ASN 922 N 0.05 0.00 0.61 3.07 4.21 -1.98 0.92 115.58 122.47 1ktm h ASN 922 Ca -0.31 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.02 1ktm h ASN 922 Cb 2.02 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.20 1ktm h ASN 922 CO 0.12 0.03 -0.82 -2.24 -1.29 0.00 0.00 177.43 173.22 1ktm h ASP 923 N 0.00 0.19 0.80 5.81 2.03 -1.93 -1.93 116.42 121.39 1ktm h ASP 923 Ca -0.00 -0.15 -0.04 0.00 -0.73 0.00 0.00 57.03 56.11 1ktm h ASP 923 Cb 0.08 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 38.53 1ktm h ASP 923 CO 0.00 0.93 -0.38 0.50 -1.03 0.00 0.00 179.24 179.26 1ktm h LYS 924 N 0.09 -1.03 -0.90 4.15 3.64 -0.91 0.64 116.57 122.24 1ktm h LYS 924 Ca -0.03 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1ktm h LYS 924 Cb 1.43 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 33.43 1ktm h LYS 924 CO 0.12 -0.68 0.59 0.28 -2.27 0.00 0.00 179.45 177.48 1ktm h VAL 925 N -1.11 1.15 0.00 2.00 2.07 -1.57 0.11 116.25 118.90 1ktm h VAL 925 Ca -0.11 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ktm h VAL 925 Cb 0.83 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ktm h VAL 925 CO 0.18 0.21 0.00 1.88 0.02 0.00 0.00 177.57 179.86 1ktm h TYR 926 N 1.13 0.00 0.04 1.57 -1.99 -1.08 -2.64 116.97 114.00 1ktm h TYR 926 Ca 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.09 1ktm h TYR 926 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1ktm h TYR 926 CO -0.01 0.00 -0.02 1.49 -0.00 0.00 0.00 178.16 179.62 1ktm h GLU 927 N 0.00 -0.05 -1.09 4.88 4.57 0.29 -2.77 114.58 120.42 1ktm h GLU 927 Ca 0.00 0.00 0.35 0.00 -1.18 0.00 0.00 59.36 58.54 1ktm h GLU 927 Cb 0.41 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 28.87 1ktm h GLU 927 CO 0.00 -0.03 0.66 -0.91 -1.18 0.00 0.00 179.01 177.54 1ktm h ASN 928 N -0.19 0.42 0.31 1.04 4.21 -1.42 1.81 115.58 121.75 1ktm h ASN 928 Ca -0.00 0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 1ktm h ASN 928 Cb 0.04 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 1ktm h ASN 928 CO 0.01 -0.15 -0.23 0.58 -1.29 0.00 0.00 177.43 176.35 1ktm h VAL 929 N 0.24 0.51 0.31 2.81 2.07 -1.56 -0.94 116.25 119.69 1ktm h VAL 929 Ca 0.75 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.26 1ktm h VAL 929 Cb 1.95 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1ktm h VAL 929 CO -0.53 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 177.62 1ktm h THR 930 N -0.54 0.05 -0.78 2.57 1.35 0.50 -1.23 112.91 114.83 1ktm h THR 930 Ca -0.02 -0.71 0.17 0.00 -0.55 0.00 0.00 66.41 65.30 1ktm h THR 930 Cb 0.47 0.09 -0.15 0.00 -1.73 0.00 0.00 68.15 66.83 1ktm h THR 930 CO -0.00 0.01 -0.13 0.61 -0.25 0.00 0.00 175.52 175.76 1ktm n GLY 931 N 0.68 -1.24 0.06 5.82 0.00 0.56 0.22 105.19 111.29 1ktm n GLY 931 Ca -0.06 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.02 -1.40 0.99 8.10 -1.25 -2.80 115.31 118.93 1ktm h LEU 932 Ca 0.40 -0.56 0.19 0.00 0.11 0.00 0.00 57.88 58.03 1ktm h LEU 932 Cb 0.69 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.84 1ktm h LEU 932 CO -0.79 0.55 0.60 0.58 -4.11 0.00 0.00 178.44 175.28 1ktm h VAL 933 N -0.60 0.70 -0.21 0.15 2.07 0.19 0.44 116.25 119.00 1ktm h VAL 933 Ca -0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ktm h VAL 933 Cb 0.57 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ktm h VAL 933 CO 0.00 0.09 0.11 0.11 0.02 0.00 0.00 177.57 177.91 1ktm h LYS 934 N 0.50 0.29 -0.37 1.57 1.57 0.29 -2.72 116.57 117.70 1ktm h LYS 934 Ca 0.48 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1ktm h LYS 934 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1ktm h LYS 934 CO -0.21 0.27 0.07 0.00 -0.57 0.00 0.00 179.45 179.00 1ktm h ALA 935 N 1.00 0.49 -0.99 3.86 0.00 -0.39 0.27 119.26 123.49 1ktm h ALA 935 Ca 0.07 -0.20 0.30 0.00 0.00 0.00 0.00 54.91 55.08 1ktm h ALA 935 Cb 0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 17.53 1ktm h ALA 935 CO -0.01 0.18 0.10 0.28 0.00 0.00 0.00 179.25 179.80 1ktm n VAL 936 N -4.57 -0.42 -0.04 0.00 0.31 0.12 0.85 118.33 114.59 1ktm n VAL 936 Ca -0.01 2.16 -0.01 0.00 -0.01 0.00 0.00 64.34 66.47 1ktm n VAL 936 Cb 0.22 -3.21 -0.00 0.00 -0.91 0.00 0.00 33.84 29.93 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 -0.62 2.52 5.03 -1.25 -3.36 117.51 119.82 1ktm h ILE 937 Ca 0.64 -0.69 0.21 0.00 -0.12 0.00 0.00 64.86 64.90 1ktm h ILE 937 Cb 1.40 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 35.07 1ktm h ILE 937 CO -0.91 0.00 0.14 1.21 -0.68 0.00 0.00 178.15 177.91 1ktm n GLU 938 N -3.91 -0.04 0.00 2.37 4.07 0.91 -0.16 120.64 123.88 1ktm n GLU 938 Ca -0.02 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 1ktm n GLU 938 Cb 0.08 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 1ktm n GLU 938 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1ktm n MET 939 N -4.64 0.00 -0.64 5.31 1.56 0.25 -0.68 117.12 118.28 1ktm n MET 939 Ca 0.18 0.71 0.50 0.00 -0.27 0.00 0.00 57.70 58.82 1ktm n MET 939 Cb 0.60 -1.44 0.78 0.00 2.15 0.00 0.00 33.22 35.32 1ktm n MET 939 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1ktm h SER 940 N 0.00 0.06 -0.09 6.12 0.87 -0.70 2.21 113.55 122.02 1ktm h SER 940 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1ktm h SER 940 Cb 0.00 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ktm h SER 940 CO 0.00 -0.09 0.01 -1.28 -0.53 0.00 0.00 176.83 174.94 1ktm h SER 941 N 0.00 0.15 -0.57 6.23 0.87 -0.56 -2.96 113.55 116.72 1ktm h SER 941 Ca 0.93 -0.28 -0.14 0.00 -1.23 0.00 0.00 61.79 61.07 1ktm h SER 941 Cb 3.50 -0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 65.34 1ktm h SER 941 CO -0.16 0.40 0.14 2.29 -0.53 0.00 0.00 176.83 178.96 1ktm n LYS 942 N -4.85 3.44 -0.11 2.24 2.85 0.61 -4.40 118.16 117.95 1ktm n LYS 942 Ca -0.06 -3.06 -0.22 0.00 -1.05 0.00 0.00 58.31 53.92 1ktm n LYS 942 Cb 0.18 -2.09 -0.10 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 -0.28 1.52 -0.34 0.58 0.00 0.59 -2.54 119.36 118.89 1ktm n ILE 943 Ca 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 62.75 62.96 1ktm n ILE 943 Cb 1.22 -2.04 0.02 0.00 0.00 0.00 0.00 39.64 38.84 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 -0.04 0.03 9.51 4.15 -1.76 -1.94 115.11 124.07 1ktm h GLN 944 Ca -0.41 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.01 1ktm h GLN 944 Cb 1.32 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1ktm h GLN 944 CO -0.25 -0.03 -0.02 -1.00 -1.93 0.00 0.00 178.83 175.61 1ktm h PRO 945 N -0.04 -0.05 -3.90 -2.39 0.13 -1.84 -3.46 132.00 120.45 1ktm h PRO 945 Ca 0.31 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.92 1ktm h PRO 945 Cb 0.58 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.75 1ktm h PRO 945 CO -0.92 0.62 0.12 0.00 -0.23 0.00 0.00 178.00 177.59 1ktm n ALA 946 N -2.52 -2.21 -1.52 -0.56 0.00 -0.73 -4.89 120.51 108.09 1ktm n ALA 946 Ca -0.09 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1ktm n ALA 946 Cb 0.34 -1.17 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 0.40 -0.14 0.49 0.00 0.04 -1.26 -4.82 135.00 129.71 1ktm s PRO 947 Ca 0.61 -0.19 0.28 0.00 0.04 0.00 0.00 61.00 61.74 1ktm s PRO 947 Cb -0.86 -1.73 0.86 0.00 0.04 0.00 0.00 34.50 32.81 1ktm s PRO 947 CO 0.40 -2.97 1.80 -1.00 0.04 0.00 0.00 177.00 175.27 1ktm h PRO 948 N -2.05 0.00 0.00 0.56 0.13 -1.90 -0.17 132.00 128.57 1ktm h PRO 948 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.38 0.01 -0.34 1.49 -0.23 0.00 0.00 178.00 179.32 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 4.81 -1.96 -3.09 114.58 115.18 1ktm h GLU 949 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ktm h GLU 949 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1ktm h GLU 949 CO 0.00 0.00 -0.14 -1.91 -0.73 0.00 0.00 179.01 176.23 1ktm n GLU 950 N -2.61 1.48 -0.03 1.92 4.07 -1.04 -4.49 120.64 119.94 1ktm n GLU 950 Ca 0.03 -0.87 -0.16 0.00 -0.06 0.00 0.00 57.16 56.10 1ktm n GLU 950 Cb 0.49 -1.17 -0.14 0.00 -0.06 0.00 0.00 31.44 30.57 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 0.92 -0.18 4.31 9.36 -0.10 -2.81 117.16 128.79 1ktm n TYR 951 Ca 0.06 0.24 -0.01 0.00 3.32 0.00 0.00 57.90 61.51 1ktm n TYR 951 Cb 0.26 -1.14 0.08 0.00 -0.63 0.00 0.00 39.34 37.92 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 0.04 0.67 0.09 2.97 2.07 -1.76 -2.46 116.25 117.86 1ktm h VAL 952 Ca -0.41 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ktm h VAL 952 Cb 2.03 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1ktm h VAL 952 CO 0.06 0.04 -0.04 1.55 0.02 0.00 0.00 177.57 179.20 1ktm h PRO 953 N 0.23 -0.11 -0.54 1.57 0.13 -1.81 -3.04 132.00 128.43 1ktm h PRO 953 Ca 0.28 0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.50 1ktm h PRO 953 Cb 0.40 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.47 1ktm h PRO 953 CO -0.37 0.42 -0.20 -1.33 -0.23 0.00 0.00 178.00 176.29 1ktm n MET 954 N -4.82 -0.11 0.10 0.86 2.81 -1.09 0.19 117.12 115.05 1ktm n MET 954 Ca -0.08 0.83 -0.13 0.00 -1.81 0.00 0.00 57.70 56.51 1ktm n MET 954 Cb 0.29 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 31.49 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 0.91 -1.28 2.03 2.07 -1.55 -2.66 116.25 115.76 1ktm h VAL 955 Ca 0.20 -0.58 0.46 0.00 0.82 0.00 0.00 66.70 67.60 1ktm h VAL 955 Cb 0.33 1.25 -0.15 0.00 -1.52 0.00 0.00 31.29 31.20 1ktm h VAL 955 CO -0.53 0.13 0.79 0.11 0.02 0.00 0.00 177.57 178.09 1ktm h LYS 956 N -0.54 0.01 0.79 1.57 1.79 0.22 0.54 116.57 120.95 1ktm h LYS 956 Ca -0.03 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1ktm h LYS 956 Cb 0.41 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1ktm h LYS 956 CO 0.04 0.00 -0.38 0.93 -1.08 0.00 0.00 179.45 178.97 1ktm h GLU 957 N 0.01 -1.02 -0.94 3.15 3.07 -0.47 -2.34 114.58 116.03 1ktm h GLU 957 Ca 0.87 0.07 0.28 0.00 -0.50 0.00 0.00 59.36 60.08 1ktm h GLU 957 Cb 2.68 0.23 -0.14 0.00 -0.84 0.00 0.00 28.75 30.68 1ktm h GLU 957 CO -0.55 -0.68 0.41 -0.24 -1.40 0.00 0.00 179.01 176.55 1ktm h VAL 958 N -1.28 0.32 -0.33 3.13 3.04 0.13 0.51 116.25 121.77 1ktm h VAL 958 Ca -0.11 -0.10 0.04 0.00 -1.01 0.00 0.00 66.70 65.53 1ktm h VAL 958 Cb 0.81 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 1ktm h VAL 958 CO 0.18 0.05 0.09 1.23 -1.01 0.00 0.00 177.57 178.11 1ktm h GLY 959 N 0.28 0.40 0.52 3.17 0.00 -0.92 -1.23 103.07 105.29 1ktm h GLY 959 Ca 0.64 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 48.01 1ktm h GLY 959 CO -0.62 0.01 0.36 -2.00 0.00 0.00 0.00 176.54 174.28 1ktm h LEU 960 N 0.22 0.49 -0.66 3.11 6.46 0.55 0.79 115.31 126.26 1ktm h LEU 960 Ca 0.15 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1ktm h LEU 960 Cb 0.15 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1ktm h LEU 960 CO -0.18 0.29 0.37 0.00 -0.62 0.00 0.00 178.44 178.30 1ktm h ALA 961 N 1.41 0.89 -0.14 1.25 0.00 -0.44 0.76 119.26 123.00 1ktm h ALA 961 Ca 0.34 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ktm h ALA 961 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ktm h ALA 961 CO -0.25 0.05 0.08 -0.07 0.00 0.00 0.00 179.25 179.06 1ktm h LEU 962 N 0.68 0.16 0.10 0.00 3.38 0.08 0.26 115.31 119.97 1ktm h LEU 962 Ca 0.30 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1ktm h LEU 962 Cb 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ktm h LEU 962 CO -0.18 0.15 -0.33 0.03 0.09 0.00 0.00 178.44 178.20 1ktm h ARG 963 N 0.16 -0.53 -0.64 1.13 3.08 -0.04 -0.99 114.38 116.55 1ktm h ARG 963 Ca 0.05 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1ktm h ARG 963 Cb 0.02 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1ktm h ARG 963 CO -0.01 -0.35 0.42 1.15 -1.07 0.00 0.00 179.97 180.11 1ktm h THR 964 N -0.55 1.08 -0.04 2.04 2.02 -0.71 -2.23 112.91 114.52 1ktm h THR 964 Ca 0.03 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1ktm h THR 964 Cb 0.58 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1ktm h THR 964 CO -0.21 0.13 -0.25 0.25 0.37 0.00 0.00 175.52 175.82 1ktm h LEU 965 N 0.74 -0.76 -0.48 2.58 7.12 0.78 0.98 115.31 126.28 1ktm h LEU 965 Ca 0.26 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.46 1ktm h LEU 965 Cb 0.10 0.32 -0.10 0.00 -0.53 0.00 0.00 40.66 40.45 1ktm h LEU 965 CO -0.07 -0.31 -0.39 -0.07 -0.13 0.00 0.00 178.44 177.47 1ktm h LEU 966 N -0.37 -1.30 -0.34 2.25 4.07 -0.67 0.83 115.31 119.78 1ktm h LEU 966 Ca 0.07 0.22 0.01 0.00 0.08 0.00 0.00 57.88 58.26 1ktm h LEU 966 Cb 0.47 0.60 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1ktm h LEU 966 CO -0.25 -0.34 0.21 0.00 -1.08 0.00 0.00 178.44 176.98 1ktm h ALA 967 N 0.66 0.42 -0.57 1.53 0.00 -1.26 -1.29 119.26 118.76 1ktm h ALA 967 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1ktm h ALA 967 Cb 0.56 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1ktm h ALA 967 CO -0.61 -0.13 0.11 1.15 0.00 0.00 0.00 179.25 179.77 1ktm h THR 968 N 0.43 0.66 -0.88 0.00 2.02 0.35 0.13 112.91 115.62 1ktm h THR 968 Ca 0.13 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1ktm h THR 968 Cb -0.03 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 1ktm h THR 968 CO -0.04 0.04 0.57 0.58 0.37 0.00 0.00 175.52 177.05 1ktm h VAL 969 N 0.24 1.23 -1.00 3.16 2.07 0.11 -0.82 116.25 121.24 1ktm h VAL 969 Ca 0.29 -0.42 0.23 0.00 0.82 0.00 0.00 66.70 67.62 1ktm h VAL 969 Cb 0.43 -0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.04 1ktm h VAL 969 CO -0.38 0.22 0.63 -0.78 0.02 0.00 0.00 177.57 177.28 1ktm h ASP 970 N 1.19 0.55 1.44 0.57 3.58 0.41 1.63 116.42 125.79 1ktm h ASP 970 Ca 0.32 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.79 1ktm h ASP 970 Cb -0.13 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1ktm h ASP 970 CO -0.07 0.15 -0.28 -0.33 -2.88 0.00 0.00 179.24 175.83 1ktm h GLU 971 N 0.51 0.00 0.00 0.28 5.08 -0.83 -3.12 114.58 116.50 1ktm h GLU 971 Ca 0.57 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.71 1ktm h GLU 971 Cb 1.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1ktm h GLU 971 CO -0.31 0.28 -1.28 1.03 -1.00 0.00 0.00 179.01 177.73 1ktm h SER 972 N 0.00 0.00 -0.89 1.42 0.87 0.21 -3.26 113.55 111.91 1ktm h SER 972 Ca -0.00 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.73 1ktm h SER 972 Cb 1.08 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.87 1ktm h SER 972 CO 0.04 0.86 -0.26 0.25 -0.53 0.00 0.00 176.83 177.19 1ktm h LEU 973 N 0.00 -0.95 -0.23 2.23 6.46 0.18 0.45 115.31 123.45 1ktm h LEU 973 Ca -0.14 0.27 -0.22 0.00 -0.12 0.00 0.00 57.88 57.67 1ktm h LEU 973 Cb 1.78 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 42.30 1ktm h LEU 973 CO 0.09 -0.30 -0.87 1.55 -0.62 0.00 0.00 178.44 178.29 1ktm h PRO 974 N -0.01 0.46 -1.24 5.25 0.13 -1.72 -3.10 132.00 131.77 1ktm h PRO 974 Ca 0.40 -0.45 0.36 0.00 -0.87 0.00 0.00 66.00 65.44 1ktm h PRO 974 Cb 0.64 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 1ktm h PRO 974 CO -0.91 1.09 0.88 0.28 -0.23 0.00 0.00 178.00 179.11 1ktm h VAL 975 N 0.28 0.38 -2.22 1.56 2.07 -0.19 -3.39 116.25 114.74 1ktm h VAL 975 Ca -0.07 -0.01 -0.53 0.00 0.82 0.00 0.00 66.70 66.91 1ktm h VAL 975 Cb 1.49 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1ktm h VAL 975 CO 0.15 0.01 -0.58 -0.76 0.02 0.00 0.00 177.57 176.41 1ktm s LEU 976 N -8.47 3.53 0.64 2.57 2.01 -0.46 -4.97 118.68 113.53 1ktm s LEU 976 Ca -0.05 -0.43 -0.13 0.00 0.01 0.00 0.00 54.13 53.52 1ktm s LEU 976 Cb 0.24 -2.06 -0.02 0.00 0.01 0.00 0.00 46.19 44.36 1ktm s LEU 976 CO 0.81 -0.02 1.05 -2.16 1.01 0.00 0.00 176.35 177.05 1ktm s PRO 977 N -3.75 3.19 -0.69 1.29 0.04 -1.26 -4.87 135.00 128.95 1ktm s PRO 977 Ca 0.32 1.07 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1ktm s PRO 977 Cb -0.07 -2.02 -0.21 0.00 0.04 0.00 0.00 34.50 32.23 1ktm s PRO 977 CO 0.23 -0.91 1.86 0.00 0.04 0.00 0.00 177.00 178.22 1ktm n ALA 978 N -2.51 1.96 0.00 8.56 0.00 -1.26 -3.16 120.51 124.09 1ktm n ALA 978 Ca 0.08 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1ktm n ALA 978 Cb 0.53 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.38 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 10.83 0.00 -0.14 0.00 2.88 -1.26 -4.86 113.62 121.07 1ktm n SER 979 Ca 0.47 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.13 1ktm n SER 979 Cb 0.43 0.06 0.27 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.83 0.00 0.18 2.46 5.66 -1.19 -4.23 114.28 115.33 1ktm n THR 980 Ca 0.00 -0.07 -0.15 0.00 -3.05 0.00 0.00 64.05 60.77 1ktm n THR 980 Cb 0.00 0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.70 -1.17 -0.25 1.09 3.86 -1.89 1.37 115.15 118.86 1ktm h HIS 981 Ca 0.00 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1ktm h HIS 981 Cb 0.52 0.48 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 1ktm h HIS 981 CO 0.00 -0.54 -0.21 -0.09 0.86 0.00 0.00 177.93 177.94 1ktm h ARG 982 N -0.74 -0.08 -0.99 2.45 1.12 -1.96 1.19 114.38 115.38 1ktm h ARG 982 Ca -0.01 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 58.93 1ktm h ARG 982 Cb 0.71 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.63 1ktm h ARG 982 CO -0.16 -0.05 0.64 0.93 -3.11 0.00 0.00 179.97 178.21 1ktm h GLU 983 N -0.08 1.12 -0.31 0.20 5.08 -1.77 -1.60 114.58 117.22 1ktm h GLU 983 Ca 0.04 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ktm h GLU 983 Cb 0.19 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1ktm h GLU 983 CO -0.28 0.74 0.01 0.82 -1.00 0.00 0.00 179.01 179.30 1ktm h ILE 984 N 1.16 0.78 -0.56 3.13 2.04 0.44 0.67 117.51 125.16 1ktm h ILE 984 Ca 0.42 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.35 1ktm h ILE 984 Cb 0.16 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1ktm h ILE 984 CO -0.17 0.02 0.15 -0.08 0.00 0.00 0.00 178.15 178.07 1ktm h GLU 985 N 0.10 0.29 0.00 2.37 4.22 0.23 0.23 114.58 122.01 1ktm h GLU 985 Ca 0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.53 1ktm h GLU 985 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ktm h GLU 985 CO -0.25 0.19 -0.18 0.52 -2.18 0.00 0.00 179.01 177.11 1ktm h MET 986 N 0.30 0.00 -0.21 1.92 2.86 -0.82 -2.87 114.93 116.11 1ktm h MET 986 Ca 0.29 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.74 1ktm h MET 986 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ktm h MET 986 CO -0.34 0.18 -0.63 0.00 1.06 0.00 0.00 176.91 177.19 1ktm h ALA 987 N 1.82 0.49 0.41 6.32 0.00 0.33 -2.24 119.26 126.39 1ktm h ALA 987 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1ktm h ALA 987 Cb 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ktm h ALA 987 CO 0.02 0.69 -0.20 1.96 0.00 0.00 0.00 179.25 181.73 1ktm h GLN 988 N 0.55 -0.53 -0.15 0.00 1.08 -0.65 -1.53 115.11 113.87 1ktm h GLN 988 Ca -0.01 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1ktm h GLN 988 Cb 1.22 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1ktm h GLN 988 CO 0.13 -0.29 0.15 -0.22 -0.95 0.00 0.00 178.83 177.65 1ktm h LYS 989 N -0.66 0.00 0.26 1.46 3.64 -1.57 -0.69 116.57 119.01 1ktm h LYS 989 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1ktm h LYS 989 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ktm h LYS 989 CO 0.09 0.00 -0.12 1.25 -2.27 0.00 0.00 179.45 178.40 1ktm h LEU 990 N 0.00 -0.29 -0.07 5.20 6.46 -0.73 -0.66 115.31 125.21 1ktm h LEU 990 Ca 0.07 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1ktm h LEU 990 Cb 0.37 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1ktm h LEU 990 CO -0.00 0.04 -0.06 0.25 -0.62 0.00 0.00 178.44 178.05 1ktm h LEU 991 N -0.65 -0.19 -0.08 2.25 5.85 -0.28 -2.54 115.31 119.66 1ktm h LEU 991 Ca -0.04 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ktm h LEU 991 Cb 0.46 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1ktm h LEU 991 CO 0.06 -0.09 -0.52 -1.13 -0.34 0.00 0.00 178.44 176.42 1ktm h ASN 992 N -0.07 -1.64 -0.12 1.25 -1.24 -1.16 0.93 115.58 113.52 1ktm h ASN 992 Ca 0.05 0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.27 1ktm h ASN 992 Cb 0.15 0.64 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 1ktm h ASN 992 CO -0.12 -0.49 -0.07 -0.24 -1.29 0.00 0.00 177.43 175.21 1ktm n SER 993 N -5.45 -0.13 -0.34 1.15 2.88 -0.26 0.80 113.62 112.27 1ktm n SER 993 Ca -0.06 1.03 0.08 0.00 -1.33 0.00 0.00 58.87 58.59 1ktm n SER 993 Cb 0.38 -0.43 0.25 0.00 -0.75 0.00 0.00 64.21 63.66 1ktm n SER 993 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1ktm h ASP 994 N 0.00 0.82 -0.18 -3.46 1.82 -1.10 -1.07 116.42 113.25 1ktm h ASP 994 Ca 0.02 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.77 1ktm h ASP 994 Cb 0.05 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 39.90 1ktm h ASP 994 CO -0.12 0.40 -0.39 0.25 -1.61 0.00 0.00 179.24 177.77 1ktm h LEU 995 N 0.87 -1.22 -0.93 2.28 5.85 0.72 0.76 115.31 123.64 1ktm h LEU 995 Ca 0.50 0.17 0.11 0.00 0.84 0.00 0.00 57.88 59.50 1ktm h LEU 995 Cb 0.59 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 1ktm h LEU 995 CO -0.30 -0.39 0.57 0.00 -0.34 0.00 0.00 178.44 177.97 1ktm h ALA 996 N 0.28 1.38 -0.83 1.25 0.00 0.13 0.35 119.26 121.82 1ktm h ALA 996 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ktm h ALA 996 Cb 0.59 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ktm h ALA 996 CO -0.41 0.17 0.39 1.49 0.00 0.00 0.00 179.25 180.89 1ktm h GLU 997 N 0.91 1.20 -0.27 0.00 4.57 0.16 0.10 114.58 121.25 1ktm h GLU 997 Ca 0.46 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.33 1ktm h GLU 997 Cb 0.44 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1ktm h GLU 997 CO -0.26 0.93 -0.35 1.25 -1.18 0.00 0.00 179.01 179.40 1ktm h LEU 998 N 1.18 0.61 -0.45 1.64 6.46 0.26 0.20 115.31 125.21 1ktm h LEU 998 Ca 0.28 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1ktm h LEU 998 Cb 0.13 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1ktm h LEU 998 CO -0.03 0.91 0.04 0.40 -0.62 0.00 0.00 178.44 179.14 1ktm h ILE 999 N 0.50 1.25 -0.18 4.05 1.08 0.28 -2.49 117.51 122.00 1ktm h ILE 999 Ca 0.05 -0.96 -0.05 0.00 -0.39 0.00 0.00 64.86 63.51 1ktm h ILE 999 Cb 0.84 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1ktm h ILE 999 CO 0.07 0.33 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.66 1ktm h ASN 1000N 0.62 0.37 -1.12 1.72 -1.24 -0.61 -1.81 115.58 113.52 1ktm h ASN 1000Ca 0.13 -0.40 0.31 0.00 0.71 0.00 0.00 56.30 57.05 1ktm h ASN 1000Cb 0.43 -0.10 -0.09 0.00 0.73 0.00 0.00 38.32 39.28 1ktm h ASN 1000CO 0.01 0.69 0.74 0.11 -1.29 0.00 0.00 177.43 177.69 1ktm h LYS 1001N 0.05 0.26 0.00 6.67 6.56 -0.47 1.52 116.57 131.17 1ktm h LYS 1001Ca 0.04 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 59.48 1ktm h LYS 1001Cb 0.54 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 1ktm h LYS 1001CO 0.02 0.17 -0.72 0.00 -2.06 0.00 0.00 179.45 176.87 1ktm h MET 1002N 0.27 0.00 0.01 3.15 -0.00 -1.12 -2.65 114.93 114.60 1ktm h MET 1002Ca 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.33 1ktm h MET 1002Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.44 1ktm h MET 1002CO -0.27 0.56 -0.01 0.87 -0.00 0.00 0.00 176.91 178.07 1ktm h LYS 1003N 0.00 -0.01 0.44 -0.10 1.57 0.30 -0.91 116.57 117.86 1ktm h LYS 1003Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ktm h LYS 1003Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1ktm h LYS 1003CO 0.07 0.20 -0.21 1.37 -0.57 0.00 0.00 179.45 180.31 1ktm h LEU 1004N -0.22 -0.50 -0.94 2.94 -0.00 -1.26 -3.01 115.31 112.32 1ktm h LEU 1004Ca -0.00 -0.10 0.26 0.00 -0.00 0.00 0.00 57.88 58.04 1ktm h LEU 1004Cb 0.22 0.13 -0.17 0.00 -0.00 0.00 0.00 40.66 40.84 1ktm h LEU 1004CO 0.00 -0.15 0.08 0.00 -0.00 0.00 0.00 178.44 178.38 1ktm h ALA 1005N -0.50 1.18 -0.98 0.17 0.00 -1.49 1.45 119.26 119.07 1ktm h ALA 1005Ca -0.06 0.30 0.32 0.00 0.00 0.00 0.00 54.91 55.48 1ktm h ALA 1005Cb 0.57 0.51 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 1ktm h ALA 1005CO 0.10 -0.55 0.25 1.96 0.00 0.00 0.00 179.25 181.01 1ktm h GLN 1006N 0.06 0.03 0.00 0.00 1.08 -1.01 1.29 115.11 116.56 1ktm h GLN 1006Ca 0.57 -0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.45 1ktm h GLN 1006Cb 1.18 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 1ktm h GLN 1006CO -0.83 0.02 -2.17 0.94 -0.95 0.00 0.00 178.83 175.85 1ktm n GLN 1007N -5.37 0.67 -0.53 1.46 7.27 0.32 -4.17 117.38 117.03 1ktm n GLN 1007Ca 0.29 0.06 -0.06 0.00 0.07 0.00 0.00 57.00 57.36 1ktm n GLN 1007Cb 0.95 -1.60 0.13 0.00 2.41 0.00 0.00 30.24 32.13 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 -2.80 1.30 -0.00 3.69 4.01 0.41 -3.92 117.16 119.85 1ktm n TYR 1008Ca -0.27 -0.85 -0.02 0.00 -0.16 0.00 0.00 57.90 56.61 1ktm n TYR 1008Cb 1.09 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.64 1ktm n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ktm n VAL 1009N -0.07 0.25 -0.76 -0.72 3.14 0.41 -3.87 118.33 116.72 1ktm n VAL 1009Ca 0.23 0.02 -0.13 0.00 -2.96 0.00 0.00 64.34 61.50 1ktm n VAL 1009Cb 0.93 -1.54 -0.09 0.00 -1.06 0.00 0.00 33.84 32.08 1ktm n VAL 1009CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1ktm n MET 1010N -3.15 1.71 0.00 1.45 0.00 -1.25 -3.65 117.12 112.23 1ktm n MET 1010Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 57.70 56.70 1ktm n MET 1010Cb 0.47 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.66 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 3.01 0.00 0.00 3.17 -2.24 -1.26 -5.07 114.28 111.88 1ktm n THR 1011Ca 0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1ktm n THR 1011Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1ktm n THR 1011CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ktm n SER 1012N -2.38 0.00 -2.16 3.42 2.88 -1.24 -4.99 113.62 109.15 1ktm n SER 1012Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ktm n SER 1012Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1ktm n SER 1012CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ktm n LEU 1013N 0.00 5.66 0.00 2.46 -0.00 -1.26 -4.38 117.00 119.47 1ktm n LEU 1013Ca 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 56.01 52.64 1ktm n LEU 1013Cb 0.00 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.00 1ktm n LEU 1013CO 0.00 1.74 0.00 1.67 -0.00 0.00 0.00 177.39 180.80 1ktm n GLN 1014N 2.44 0.00 -0.54 1.47 7.27 -1.25 -2.87 117.38 123.90 1ktm n GLN 1014Ca 0.47 0.35 0.42 0.00 0.07 0.00 0.00 57.00 58.31 1ktm n GLN 1014Cb 0.83 -0.84 0.66 0.00 2.41 0.00 0.00 30.24 33.29 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 -2.06 -0.01 0.07 3.69 10.64 -1.26 0.16 117.38 128.61 1ktm n GLN 1015Ca 0.00 0.99 -0.03 0.00 -1.83 0.00 0.00 57.00 56.12 1ktm n GLN 1015Cb 0.00 -2.14 -0.01 0.00 -0.86 0.00 0.00 30.24 27.22 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 -0.19 -0.01 2.61 4.57 -1.88 -2.43 114.58 117.25 1ktm h GLU 1016Ca 0.79 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.99 1ktm h GLU 1016Cb 2.96 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 31.59 1ktm h GLU 1016CO -0.15 -0.13 0.05 1.88 -1.18 0.00 0.00 179.01 179.47 1ktm h TYR 1017N -0.43 0.00 -0.25 0.92 -1.99 -0.26 -0.12 116.97 114.84 1ktm h TYR 1017Ca -0.02 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.53 1ktm h TYR 1017Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1ktm h TYR 1017CO 0.06 0.00 -0.54 -0.22 -0.00 0.00 0.00 178.16 177.46 1ktm h LYS 1018N 0.00 0.80 -0.09 4.88 1.63 0.15 -2.86 116.57 121.08 1ktm h LYS 1018Ca 0.01 -0.53 -0.04 0.00 -0.85 0.00 0.00 60.65 59.23 1ktm h LYS 1018Cb 0.10 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1ktm h LYS 1018CO -0.00 1.16 -0.14 0.87 -3.45 0.00 0.00 179.45 177.89 1ktm h LYS 1019N 0.56 0.14 0.98 1.90 6.56 -0.50 -2.65 116.57 123.55 1ktm h LYS 1019Ca 0.00 -0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.52 1ktm h LYS 1019Cb 1.15 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.80 1ktm h LYS 1019CO 0.12 0.28 -0.47 1.96 -2.06 0.00 0.00 179.45 179.28 1ktm h GLN 1020N 0.13 -1.27 -0.25 3.15 1.08 -1.26 -0.40 115.11 116.28 1ktm h GLN 1020Ca 0.03 0.09 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 1ktm h GLN 1020Cb 0.33 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1ktm h GLN 1020CO 0.02 -0.85 0.36 0.00 -0.95 0.00 0.00 178.83 177.41 1ktm h MET 1021N -1.32 0.00 -0.01 1.46 -0.00 -1.37 0.23 114.93 113.92 1ktm h MET 1021Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 1ktm h MET 1021Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 1ktm h MET 1021CO 0.22 0.00 -0.03 1.25 -0.00 0.00 0.00 176.91 178.35 1ktm h LEU 1022N 0.00 0.04 -0.83 -0.10 7.12 -1.03 -2.77 115.31 117.73 1ktm h LEU 1022Ca 0.12 -0.69 0.15 0.00 0.13 0.00 0.00 57.88 57.59 1ktm h LEU 1022Cb 0.84 -0.01 -0.15 0.00 -0.53 0.00 0.00 40.66 40.80 1ktm h LEU 1022CO -0.00 0.72 -0.28 0.74 -0.13 0.00 0.00 178.44 179.49 1ktm h THR 1023N -0.64 0.12 -0.74 1.05 2.02 0.73 0.87 112.91 116.32 1ktm h THR 1023Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ktm h THR 1023Cb 0.72 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1ktm h THR 1023CO 0.01 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.35 1ktm h ALA 1024N 1.58 0.94 -0.91 6.16 0.00 -1.59 -1.10 119.26 124.34 1ktm h ALA 1024Ca 0.36 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.38 1ktm h ALA 1024Cb 0.61 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1ktm h ALA 1024CO -0.87 0.41 0.59 0.00 0.00 0.00 0.00 179.25 179.38 1ktm h ALA 1025N 1.24 2.04 0.43 0.00 0.00 0.97 1.82 119.26 125.75 1ktm h ALA 1025Ca 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ktm h ALA 1025Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ktm h ALA 1025CO -0.05 -0.32 -0.21 1.25 0.00 0.00 0.00 179.25 179.92 1ktm h HIS 1026N 0.53 -0.54 -0.23 0.00 2.76 0.29 -0.35 115.15 117.61 1ktm h HIS 1026Ca 0.48 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.59 1ktm h HIS 1026Cb 1.02 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1ktm h HIS 1026CO -0.00 -0.23 -0.08 0.00 -1.30 0.00 0.00 177.93 176.31 1ktm h ALA 1027N -0.38 1.43 0.36 5.26 0.00 -0.80 -2.91 119.26 122.22 1ktm h ALA 1027Ca -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ktm h ALA 1027Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ktm h ALA 1027CO 0.10 0.40 -0.20 -0.07 0.00 0.00 0.00 179.25 179.47 1ktm h LEU 1028N 0.35 -0.50 -0.98 0.00 3.38 0.29 1.56 115.31 119.41 1ktm h LEU 1028Ca 0.07 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.47 1ktm h LEU 1028Cb 0.37 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.08 1ktm h LEU 1028CO 0.02 -0.32 0.52 0.00 0.09 0.00 0.00 178.44 178.75 1ktm n ALA 1029N -2.33 1.00 -0.04 1.53 0.00 -0.16 0.15 120.51 120.66 1ktm n ALA 1029Ca -0.06 1.00 -0.13 0.00 0.00 0.00 0.00 53.44 54.24 1ktm n ALA 1029Cb 0.21 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 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 1.55 -0.63 0.00 2.07 -1.22 -2.56 116.25 115.46 1ktm h VAL 1030Ca 0.83 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 66.80 1ktm h VAL 1030Cb 2.19 2.65 -0.10 0.00 -1.52 0.00 0.00 31.29 34.51 1ktm h VAL 1030CO -0.76 0.42 -0.53 0.44 0.02 0.00 0.00 177.57 177.16 1ktm h ASP 1031N -0.68 -1.84 -0.59 0.57 5.19 1.13 1.39 116.42 121.58 1ktm h ASP 1031Ca -0.00 0.27 0.10 0.00 -0.62 0.00 0.00 57.03 56.78 1ktm h ASP 1031Cb 0.69 0.80 -0.04 0.00 0.18 0.00 0.00 39.33 40.96 1ktm h ASP 1031CO 0.00 -0.34 0.40 0.00 -3.12 0.00 0.00 179.24 176.18 1ktm h ALA 1032N 0.31 2.03 0.55 3.45 0.00 -0.92 -1.94 119.26 122.74 1ktm h ALA 1032Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ktm h ALA 1032Cb 0.54 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ktm h ALA 1032CO -0.72 -0.16 -0.26 -0.22 0.00 0.00 0.00 179.25 177.88 1ktm h LYS 1033N 0.39 -0.71 -1.01 0.00 1.63 0.18 -2.91 116.57 114.15 1ktm h LYS 1033Ca 0.27 0.05 0.41 0.00 -0.85 0.00 0.00 60.65 60.54 1ktm h LYS 1033Cb 0.55 0.16 -0.18 0.00 -0.60 0.00 0.00 32.23 32.17 1ktm h LYS 1033CO -0.07 -0.47 0.55 -0.97 -3.45 0.00 0.00 179.45 175.03 1ktm h ASN 1034N -0.94 0.34 0.06 4.20 -0.73 0.13 1.69 115.58 120.33 1ktm h ASN 1034Ca -0.08 0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1ktm h ASN 1034Cb 0.57 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1ktm h ASN 1034CO 0.12 -0.41 -0.15 0.25 -0.37 0.00 0.00 177.43 176.87 1ktm h LEU 1035N 0.03 -0.45 -0.57 0.34 6.46 -1.18 -0.12 115.31 119.82 1ktm h LEU 1035Ca 0.84 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 58.59 1ktm h LEU 1035Cb 2.21 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 42.28 1ktm h LEU 1035CO -0.75 -0.17 0.15 0.25 -0.62 0.00 0.00 178.44 177.30 1ktm h LEU 1036N -0.24 0.85 -0.99 2.25 5.85 -0.44 -2.85 115.31 119.74 1ktm h LEU 1036Ca -0.01 -0.22 0.17 0.00 0.84 0.00 0.00 57.88 58.66 1ktm h LEU 1036Cb 0.23 -0.22 -0.17 0.00 0.37 0.00 0.00 40.66 40.86 1ktm h LEU 1036CO -0.07 0.85 -0.33 -0.67 -0.34 0.00 0.00 178.44 177.88 1ktm n ASP 1037N -4.40 -0.53 -0.28 1.25 2.03 0.54 0.21 116.55 115.37 1ktm n ASP 1037Ca 0.03 1.72 -0.05 0.00 0.52 0.00 0.00 54.79 57.01 1ktm n ASP 1037Cb 0.22 -0.44 0.07 0.00 -0.72 0.00 0.00 41.12 40.24 1ktm n ASP 1037CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ktm h VAL 1038N 0.00 1.22 -0.73 5.18 2.07 -0.80 -1.89 116.25 121.30 1ktm h VAL 1038Ca 0.40 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1ktm h VAL 1038Cb 0.65 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1ktm h VAL 1038CO -1.00 0.24 0.46 0.40 0.02 0.00 0.00 177.57 177.68 1ktm h ILE 1039N 1.06 1.10 -0.94 4.57 2.04 0.27 -0.45 117.51 125.15 1ktm h ILE 1039Ca 0.28 -0.31 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1ktm h ILE 1039Cb -0.02 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.11 1ktm h ILE 1039CO -0.05 0.16 0.60 -0.78 0.00 0.00 0.00 178.15 178.08 1ktm h ASP 1040N 0.89 0.74 1.34 1.72 3.58 0.15 1.70 116.42 126.55 1ktm h ASP 1040Ca 0.29 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1ktm h ASP 1040Cb 0.02 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 1ktm h ASP 1040CO -0.11 0.36 -0.00 1.56 -2.88 0.00 0.00 179.24 178.17 1ktm h GLN 1041N 0.78 0.00 0.11 0.28 7.50 -0.77 -3.00 115.11 120.01 1ktm h GLN 1041Ca 0.49 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 59.28 1ktm h GLN 1041Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.22 1ktm h GLN 1041CO -0.25 0.00 -1.98 0.00 -1.50 0.00 0.00 178.83 175.10 1ktm n ALA 1042N -2.10 0.94 0.01 3.87 0.00 0.28 -3.02 120.51 120.49 1ktm n ALA 1042Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 1ktm n ALA 1042Cb 0.38 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1ktm n ALA 1042CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ktm h ARG 1043N 0.07 -0.40 -0.25 0.00 2.43 0.22 -0.38 114.38 116.07 1ktm h ARG 1043Ca -0.41 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.70 1ktm h ARG 1043Cb 2.03 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.66 1ktm h ARG 1043CO 0.09 -0.26 -0.21 1.37 -1.51 0.00 0.00 179.97 179.44 1ktm h LEU 1044N -0.41 0.45 -1.80 3.80 -0.00 -1.71 -2.11 115.31 113.53 1ktm h LEU 1044Ca 0.09 -0.14 0.23 0.00 -0.00 0.00 0.00 57.88 58.06 1ktm h LEU 1044Cb 0.56 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.06 1ktm h LEU 1044CO -0.35 0.67 0.73 0.50 -0.00 0.00 0.00 178.44 180.00 1ktm h LYS 1045N 0.41 0.00 0.00 0.17 3.11 -0.99 1.77 116.57 121.05 1ktm h LYS 1045Ca 0.07 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.73 1ktm h LYS 1045Cb 0.60 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1ktm h LYS 1045CO 0.04 0.00 -0.94 1.98 -2.81 0.00 0.00 179.45 177.73 1ktm h MET 1046N 0.00 0.00 0.75 1.90 4.05 -0.87 -3.35 114.93 117.40 1ktm h MET 1046Ca 0.37 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.76 1ktm h MET 1046Cb 1.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 1ktm h MET 1046CO -0.00 0.72 -0.39 0.82 0.23 0.00 0.00 176.91 178.29 1ktm h ILE 1047N 0.00 0.00 -0.59 1.77 1.08 0.27 -3.09 117.51 116.95 1ktm h ILE 1047Ca -0.05 0.00 -0.69 0.00 -0.39 0.00 0.00 64.86 63.73 1ktm h ILE 1047Cb 1.65 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.33 1ktm h ILE 1047CO 0.10 0.00 2.52 -1.20 -0.69 0.00 0.00 178.15 178.87 1ktm n SER 1048N -4.89 4.58 0.00 1.72 7.64 -1.06 -3.89 113.62 117.72 1ktm n SER 1048Ca -0.13 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1ktm n SER 1048Cb 0.42 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1ktm n SER 1048CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ktm n GLN 1049N 7.53 0.00 -3.15 1.43 -0.06 -1.23 -4.96 117.38 116.93 1ktm n GLN 1049Ca 0.50 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.55 1ktm n GLN 1049Cb 0.43 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.61 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ktm s SER 1050N -1.03 -0.79 0.55 1.69 0.15 -1.17 -5.15 113.70 107.94 1ktm s SER 1050Ca 0.00 0.33 -0.20 0.00 0.70 0.00 0.00 55.95 56.79 1ktm s SER 1050Cb 0.00 1.60 -0.08 0.00 -1.71 0.00 0.00 66.02 65.83 1ktm s SER 1050CO 0.00 -0.15 0.79 -2.11 1.20 0.00 0.00 173.24 172.97 1ktm n ARG 1051N 5.37 0.82 0.04 5.44 -4.01 -1.26 -4.87 116.66 118.19 1ktm n ARG 1051Ca -0.00 0.31 -0.02 0.00 -1.04 0.00 0.00 57.85 57.10 1ktm n ARG 1051Cb 0.54 -1.94 -0.01 0.00 -3.04 0.00 0.00 32.46 28.02 1ktm n ARG 1051CO 0.00 0.00 0.00 -1.00 -3.04 0.00 0.00 177.63 173.59 1ktm h PRO 1052N 0.61 -0.13 -0.01 2.89 0.13 -1.97 -3.52 132.00 129.99 1ktm h PRO 1052Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ktm h PRO 1052Cb 1.37 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1ktm h PRO 1052CO 0.51 -0.08 0.00 1.58 -0.23 0.00 0.00 178.00 179.77