#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 3.34 -1.30 -5.12 0.00 -1.26 -4.99 121.76 112.43 1ktm s ALA 916 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.11 1ktm s ALA 916 Cb 0.00 -2.69 0.15 0.00 0.00 0.00 0.00 23.12 20.58 1ktm s ALA 916 CO 0.00 -1.43 1.91 0.09 0.00 0.00 0.00 175.76 176.33 1ktm n ASN 917 N 5.04 4.92 -3.09 0.00 4.13 -1.26 -4.72 115.26 120.29 1ktm n ASN 917 Ca -0.11 -3.07 -0.25 0.00 1.68 0.00 0.00 54.58 52.83 1ktm n ASN 917 Cb 0.46 -1.51 -0.05 0.00 -1.54 0.00 0.00 39.78 37.14 1ktm n ASN 917 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ktm n LEU 918 N 4.29 3.44 -2.37 3.41 4.32 -1.26 -4.86 117.00 123.96 1ktm n LEU 918 Ca 0.41 -5.46 -0.31 0.00 -0.02 0.00 0.00 56.01 50.63 1ktm n LEU 918 Cb 0.37 -0.28 0.04 0.00 -1.62 0.00 0.00 43.42 41.93 1ktm n LEU 918 CO 0.82 2.27 0.83 -0.90 -1.22 0.00 0.00 177.39 179.20 1ktm n ASP 919 N 0.16 6.24 -0.09 -1.43 5.75 -1.26 -4.64 116.55 121.28 1ktm n ASP 919 Ca 0.29 -3.77 -0.15 0.00 -0.01 0.00 0.00 54.79 51.15 1ktm n ASP 919 Cb 0.45 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 1ktm n ASP 919 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1ktm h ARG 920 N 2.36 0.00 0.04 0.11 2.47 -1.99 -3.23 114.38 114.15 1ktm h ARG 920 Ca 0.47 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.95 1ktm h ARG 920 Cb 0.91 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1ktm h ARG 920 CO 1.16 0.66 -1.03 0.77 0.56 0.00 0.00 179.97 182.10 1ktm h SER 921 N -1.00 0.39 0.46 7.04 0.02 -1.95 -2.92 113.55 115.60 1ktm h SER 921 Ca -0.19 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1ktm h SER 921 Cb 0.97 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1ktm h SER 921 CO -0.12 1.20 0.00 -0.46 -1.14 0.00 0.00 176.83 176.31 1ktm n ASN 922 N -3.63 0.00 0.00 3.07 6.94 -1.26 -2.47 115.26 117.91 1ktm n ASN 922 Ca -0.06 0.31 -0.17 0.00 -0.02 0.00 0.00 54.58 54.64 1ktm n ASN 922 Cb 0.89 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 37.78 1ktm n ASN 922 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1ktm h ASP 923 N 0.00 0.40 0.61 0.53 3.58 -1.52 -2.52 116.42 117.49 1ktm h ASP 923 Ca 0.00 -0.82 -0.03 0.00 0.42 0.00 0.00 57.03 56.60 1ktm h ASP 923 Cb 0.23 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.16 1ktm h ASP 923 CO 0.00 1.18 -0.29 0.11 -2.88 0.00 0.00 179.24 177.35 1ktm h LYS 924 N -0.33 -0.79 -0.74 0.28 1.79 -1.57 0.12 116.57 115.33 1ktm h LYS 924 Ca -0.07 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.58 1ktm h LYS 924 Cb 1.28 0.18 -0.14 0.00 -1.58 0.00 0.00 32.23 31.98 1ktm h LYS 924 CO 0.10 -0.50 -0.30 0.28 -1.08 0.00 0.00 179.45 177.95 1ktm h VAL 925 N -1.18 0.15 -0.72 0.50 2.07 -1.65 1.75 116.25 117.17 1ktm h VAL 925 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ktm h VAL 925 Cb 0.65 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1ktm h VAL 925 CO 0.14 0.00 0.37 1.88 0.02 0.00 0.00 177.57 179.98 1ktm h TYR 926 N -0.07 0.99 0.28 1.57 -1.99 -1.45 -1.12 116.97 115.18 1ktm h TYR 926 Ca 0.31 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.00 1ktm h TYR 926 Cb 0.57 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1ktm h TYR 926 CO -0.68 0.70 -0.13 0.93 -0.00 0.00 0.00 178.16 178.98 1ktm h GLU 927 N 1.00 -0.36 -1.00 4.88 4.39 0.32 -0.63 114.58 123.18 1ktm h GLU 927 Ca 0.25 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.20 1ktm h GLU 927 Cb 0.06 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.69 1ktm h GLU 927 CO -0.04 -0.02 0.62 -0.91 -1.16 0.00 0.00 179.01 177.51 1ktm h ASN 928 N -0.81 0.62 0.56 1.42 4.21 0.24 0.17 115.58 121.99 1ktm h ASN 928 Ca -0.04 0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.54 1ktm h ASN 928 Cb 0.51 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1ktm h ASN 928 CO 0.06 0.17 -0.27 0.58 -1.29 0.00 0.00 177.43 176.68 1ktm h VAL 929 N 0.57 0.00 -0.34 2.81 2.07 -1.10 -1.64 116.25 118.63 1ktm h VAL 929 Ca 0.59 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.89 1ktm h VAL 929 Cb 1.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1ktm h VAL 929 CO -0.35 0.00 -0.39 0.71 0.02 0.00 0.00 177.57 177.56 1ktm h THR 930 N -1.00 0.00 -0.78 2.57 1.35 -0.07 0.78 112.91 115.76 1ktm h THR 930 Ca -0.08 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.01 1ktm h THR 930 Cb 0.57 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1ktm h THR 930 CO 0.13 0.00 0.65 1.23 -0.25 0.00 0.00 175.52 177.28 1ktm h GLY 931 N -0.23 0.00 0.26 5.82 0.00 -0.79 1.76 103.07 109.89 1ktm h GLY 931 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ktm h GLY 931 CO -0.44 0.00 -0.13 -2.00 0.00 0.00 0.00 176.54 173.97 1ktm h LEU 932 N 0.00 -0.30 -1.44 3.11 5.85 0.14 -2.66 115.31 120.00 1ktm h LEU 932 Ca 0.37 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1ktm h LEU 932 Cb 1.67 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.75 1ktm h LEU 932 CO -0.00 0.06 0.35 -0.37 -0.34 0.00 0.00 178.44 178.13 1ktm h VAL 933 N -0.90 1.15 -0.98 1.05 -1.51 0.83 0.22 116.25 116.12 1ktm h VAL 933 Ca -0.04 -0.29 0.09 0.00 -1.23 0.00 0.00 66.70 65.24 1ktm h VAL 933 Cb 0.27 0.36 -0.07 0.00 -2.13 0.00 0.00 31.29 29.72 1ktm h VAL 933 CO 0.06 0.14 0.62 0.11 -1.23 0.00 0.00 177.57 177.27 1ktm h LYS 934 N 0.74 1.02 0.09 5.19 1.79 0.26 -1.88 116.57 123.78 1ktm h LYS 934 Ca 0.20 -0.06 -0.19 0.00 -2.18 0.00 0.00 60.65 58.41 1ktm h LYS 934 Cb -0.06 -0.23 0.02 0.00 -1.58 0.00 0.00 32.23 30.38 1ktm h LYS 934 CO -0.04 0.68 -0.81 0.00 -1.08 0.00 0.00 179.45 178.19 1ktm h ALA 935 N 1.48 -0.03 -0.95 3.86 0.00 -0.79 -1.95 119.26 120.89 1ktm h ALA 935 Ca 0.45 -0.67 0.36 0.00 0.00 0.00 0.00 54.91 55.05 1ktm h ALA 935 Cb 0.31 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.01 1ktm h ALA 935 CO -0.22 0.42 0.35 0.28 0.00 0.00 0.00 179.25 180.08 1ktm n VAL 936 N -4.10 -0.40 -0.02 0.00 0.31 0.65 0.10 118.33 114.87 1ktm n VAL 936 Ca -0.13 1.98 -0.01 0.00 -0.01 0.00 0.00 64.34 66.18 1ktm n VAL 936 Cb 0.80 -3.11 -0.00 0.00 -0.91 0.00 0.00 33.84 30.61 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 2.04 -1.47 -3.36 117.51 116.61 1ktm h ILE 937 Ca 0.73 -0.31 0.25 0.00 1.00 0.00 0.00 64.86 66.53 1ktm h ILE 937 Cb 1.83 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.80 1ktm h ILE 937 CO -0.78 0.00 0.28 1.21 0.00 0.00 0.00 178.15 178.86 1ktm n GLU 938 N -2.93 -0.04 0.00 2.37 4.07 -0.73 -0.14 120.64 123.24 1ktm n GLU 938 Ca -0.01 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 57.96 1ktm n GLU 938 Cb 0.04 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 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 -4.48 0.00 -0.62 5.31 1.56 0.29 -0.81 117.12 118.36 1ktm n MET 939 Ca 0.22 0.69 0.49 0.00 -0.27 0.00 0.00 57.70 58.83 1ktm n MET 939 Cb 0.75 -1.44 0.79 0.00 2.15 0.00 0.00 33.22 35.47 1ktm n MET 939 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 1ktm h SER 940 N 0.00 0.05 -0.07 6.12 0.02 -0.68 2.01 113.55 121.01 1ktm h SER 940 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1ktm h SER 940 Cb 0.00 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ktm h SER 940 CO 0.00 -0.05 0.00 -1.28 -1.14 0.00 0.00 176.83 174.36 1ktm h SER 941 N 0.01 0.12 -0.60 3.07 0.87 -0.70 -2.98 113.55 113.34 1ktm h SER 941 Ca 0.89 -0.30 -0.16 0.00 -1.23 0.00 0.00 61.79 60.99 1ktm h SER 941 Cb 3.43 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 65.26 1ktm h SER 941 CO -0.11 0.39 0.17 2.29 -0.53 0.00 0.00 176.83 179.04 1ktm n LYS 942 N -4.86 3.48 -0.11 2.24 2.85 0.53 -4.39 118.16 117.90 1ktm n LYS 942 Ca -0.07 -3.07 -0.21 0.00 -1.05 0.00 0.00 58.31 53.91 1ktm n LYS 942 Cb 0.19 -2.12 -0.09 0.00 -0.65 0.00 0.00 35.03 32.36 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 -0.27 1.51 -0.30 0.58 0.00 0.56 -2.57 119.36 118.87 1ktm n ILE 943 Ca 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 62.75 63.01 1ktm n ILE 943 Cb 1.25 -2.06 0.06 0.00 0.00 0.00 0.00 39.64 38.89 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 -0.05 0.06 9.51 4.15 -1.76 -2.09 115.11 123.94 1ktm h GLN 944 Ca -0.39 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1ktm h GLN 944 Cb 1.28 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1ktm h GLN 944 CO -0.24 -0.03 -0.03 -1.00 -1.93 0.00 0.00 178.83 175.60 1ktm h PRO 945 N -0.05 -0.08 -4.44 -2.39 0.13 -1.83 -3.46 132.00 119.89 1ktm h PRO 945 Ca 0.34 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.92 1ktm h PRO 945 Cb 0.59 0.02 0.05 0.00 0.13 0.00 0.00 31.00 31.79 1ktm h PRO 945 CO -0.85 0.51 -0.10 0.00 -0.23 0.00 0.00 178.00 177.33 1ktm n ALA 946 N -2.55 -2.69 -1.51 -0.56 0.00 -0.79 -4.90 120.51 107.51 1ktm n ALA 946 Ca -0.08 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 1ktm n ALA 946 Cb 0.31 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.24 -0.19 0.30 0.00 0.04 -1.26 -4.84 135.00 128.81 1ktm s PRO 947 Ca 0.61 -0.21 0.26 0.00 0.04 0.00 0.00 61.00 61.70 1ktm s PRO 947 Cb -0.86 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 32.84 1ktm s PRO 947 CO 0.42 -3.00 1.76 -1.00 0.04 0.00 0.00 177.00 175.22 1ktm h PRO 948 N -2.07 0.00 0.00 0.56 0.13 -1.92 -1.30 132.00 127.41 1ktm h PRO 948 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1ktm h PRO 948 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1ktm h PRO 948 CO 0.38 0.00 -1.07 1.49 -0.23 0.00 0.00 178.00 178.57 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 4.81 -1.96 -3.08 114.58 115.20 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 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1ktm h GLU 949 CO 0.00 0.40 -0.55 -1.91 -0.73 0.00 0.00 179.01 176.22 1ktm n GLU 950 N -3.03 0.88 -0.06 1.92 0.00 -1.08 -4.29 120.64 114.99 1ktm n GLU 950 Ca -0.05 -0.70 -0.22 0.00 0.00 0.00 0.00 57.16 56.19 1ktm n GLU 950 Cb 0.81 -1.49 -0.13 0.00 0.00 0.00 0.00 31.44 30.64 1ktm n GLU 950 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1ktm h TYR 951 N 1.70 0.21 -0.64 4.31 5.03 -1.30 -2.48 116.97 123.79 1ktm h TYR 951 Ca 0.00 -0.15 0.14 0.00 2.58 0.00 0.00 58.73 61.29 1ktm h TYR 951 Cb 0.66 -0.01 -0.11 0.00 1.55 0.00 0.00 36.73 38.82 1ktm h TYR 951 CO 0.00 1.62 -0.00 0.28 -1.32 0.00 0.00 178.16 178.73 1ktm h VAL 952 N -0.55 0.46 0.10 1.81 2.07 -1.72 -1.34 116.25 117.08 1ktm h VAL 952 Ca -0.38 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ktm h VAL 952 Cb 1.62 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1ktm h VAL 952 CO -0.08 0.02 -0.05 1.55 0.02 0.00 0.00 177.57 179.03 1ktm h PRO 953 N 0.11 -0.14 -0.70 1.57 0.13 -1.75 -3.02 132.00 128.21 1ktm h PRO 953 Ca 0.34 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.60 1ktm h PRO 953 Cb 0.56 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.60 1ktm h PRO 953 CO -0.56 0.35 -0.24 -0.12 -0.23 0.00 0.00 178.00 177.20 1ktm n MET 954 N -4.84 -0.13 0.26 0.86 0.00 -0.93 0.99 117.12 113.32 1ktm n MET 954 Ca -0.07 1.08 -0.15 0.00 -0.00 0.00 0.00 57.70 58.55 1ktm n MET 954 Cb 0.27 -1.60 -0.08 0.00 0.00 0.00 0.00 33.22 31.81 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ktm h VAL 955 N 0.00 0.51 -1.51 1.12 2.07 -1.36 -2.22 116.25 114.86 1ktm h VAL 955 Ca 0.27 -0.22 0.49 0.00 0.82 0.00 0.00 66.70 68.06 1ktm h VAL 955 Cb 0.45 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 1ktm h VAL 955 CO -0.70 0.04 1.01 0.29 0.02 0.00 0.00 177.57 178.23 1ktm n LYS 956 N -5.31 -0.02 0.34 1.57 4.01 0.28 0.93 118.16 119.94 1ktm n LYS 956 Ca -0.11 1.17 -0.15 0.00 -0.51 0.00 0.00 58.31 58.71 1ktm n LYS 956 Cb 0.29 -2.41 -0.07 0.00 -0.51 0.00 0.00 35.03 32.33 1ktm n LYS 956 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1ktm h GLU 957 N 0.00 -0.85 -0.99 1.97 4.22 -0.37 -1.69 114.58 116.87 1ktm h GLU 957 Ca 0.87 0.06 0.24 0.00 0.08 0.00 0.00 59.36 60.61 1ktm h GLU 957 Cb 3.03 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 32.35 1ktm h GLU 957 CO -0.32 -0.54 0.58 -0.24 -2.18 0.00 0.00 179.01 176.31 1ktm h VAL 958 N -1.16 0.53 -0.85 0.32 3.04 0.71 0.62 116.25 119.46 1ktm h VAL 958 Ca -0.09 -0.19 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1ktm h VAL 958 Cb 0.70 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.86 1ktm h VAL 958 CO 0.15 0.10 0.43 1.23 -1.01 0.00 0.00 177.57 178.47 1ktm h GLY 959 N 0.56 1.30 1.06 3.17 0.00 -0.97 -2.12 103.07 106.08 1ktm h GLY 959 Ca 0.64 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1ktm h GLY 959 CO -0.48 0.59 0.30 1.41 0.00 0.00 0.00 176.54 178.36 1ktm h LEU 960 N 1.20 1.10 -0.31 3.11 3.38 0.12 -2.07 115.31 121.84 1ktm h LEU 960 Ca 0.29 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1ktm h LEU 960 Cb 0.09 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1ktm h LEU 960 CO -0.04 0.98 0.01 0.00 0.09 0.00 0.00 178.44 179.48 1ktm h ALA 961 N 1.17 0.28 -0.18 1.53 0.00 -0.54 -0.84 119.26 120.69 1ktm h ALA 961 Ca 0.26 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1ktm h ALA 961 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ktm h ALA 961 CO -0.02 -0.39 -0.08 -0.07 0.00 0.00 0.00 179.25 178.69 1ktm h LEU 962 N 0.11 -0.27 -0.34 0.00 3.38 -1.05 0.50 115.31 117.64 1ktm h LEU 962 Ca 0.15 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1ktm h LEU 962 Cb 0.19 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1ktm h LEU 962 CO -0.23 -0.11 -0.36 0.03 0.09 0.00 0.00 178.44 177.87 1ktm h ARG 963 N -0.06 -0.30 -0.75 1.13 2.47 -0.66 0.96 114.38 117.18 1ktm h ARG 963 Ca 0.10 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1ktm h ARG 963 Cb 0.20 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1ktm h ARG 963 CO -0.22 -0.20 0.36 1.15 0.56 0.00 0.00 179.97 181.63 1ktm h THR 964 N -0.31 1.23 -0.90 2.04 2.02 -0.67 -2.02 112.91 114.30 1ktm h THR 964 Ca 0.15 -0.65 0.12 0.00 0.77 0.00 0.00 66.41 66.80 1ktm h THR 964 Cb 0.56 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 1ktm h THR 964 CO -0.51 0.28 0.53 0.25 0.37 0.00 0.00 175.52 176.43 1ktm h LEU 965 N 1.06 0.73 0.63 2.58 7.12 0.22 0.18 115.31 127.83 1ktm h LEU 965 Ca 0.26 0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.31 1ktm h LEU 965 Cb 0.10 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1ktm h LEU 965 CO -0.03 0.37 -0.41 -0.07 -0.13 0.00 0.00 178.44 178.17 1ktm h LEU 966 N 0.82 -1.05 0.05 2.25 4.07 -0.20 0.49 115.31 121.74 1ktm h LEU 966 Ca 0.46 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.51 1ktm h LEU 966 Cb 0.52 0.31 -0.05 0.00 1.08 0.00 0.00 40.66 42.52 1ktm h LEU 966 CO -0.29 -0.63 -0.46 0.00 -1.08 0.00 0.00 178.44 175.99 1ktm h ALA 967 N -0.73 -0.79 -0.73 1.53 0.00 -1.18 0.16 119.26 117.52 1ktm h ALA 967 Ca -0.08 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1ktm h ALA 967 Cb 0.81 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 19.28 1ktm h ALA 967 CO 0.06 -1.02 0.17 1.79 0.00 0.00 0.00 179.25 180.25 1ktm h THR 968 N -0.65 0.52 -0.98 0.00 1.35 -0.53 0.40 112.91 113.01 1ktm h THR 968 Ca 0.03 -0.09 0.06 0.00 -0.55 0.00 0.00 66.41 65.85 1ktm h THR 968 Cb 0.69 0.23 -0.06 0.00 -1.73 0.00 0.00 68.15 67.28 1ktm h THR 968 CO -0.30 0.05 0.64 0.58 -0.25 0.00 0.00 175.52 176.24 1ktm h VAL 969 N 0.27 1.11 -0.90 6.82 2.07 0.13 0.95 116.25 126.69 1ktm h VAL 969 Ca 0.41 -0.40 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1ktm h VAL 969 Cb 0.69 -0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1ktm h VAL 969 CO -0.50 0.21 0.61 -0.78 0.02 0.00 0.00 177.57 177.13 1ktm h ASP 970 N 1.18 0.31 1.51 0.57 3.58 0.26 1.84 116.42 125.67 1ktm h ASP 970 Ca 0.42 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.82 1ktm h ASP 970 Cb 0.12 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1ktm h ASP 970 CO -0.16 0.12 -0.50 -0.33 -2.88 0.00 0.00 179.24 175.49 1ktm h GLU 971 N 0.31 0.00 0.07 0.28 5.08 -0.55 -3.27 114.58 116.50 1ktm h GLU 971 Ca 0.46 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.53 1ktm h GLU 971 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1ktm h GLU 971 CO -0.14 0.32 -1.50 0.77 -1.00 0.00 0.00 179.01 177.45 1ktm h SER 972 N 0.00 0.25 -0.99 1.42 0.02 0.19 -3.21 113.55 111.22 1ktm h SER 972 Ca -0.02 -0.36 0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1ktm h SER 972 Cb 1.28 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 1ktm h SER 972 CO 0.04 1.31 -0.28 0.18 -1.14 0.00 0.00 176.83 176.94 1ktm n LEU 973 N -3.35 -0.42 0.06 5.07 4.77 0.54 0.10 117.00 123.76 1ktm n LEU 973 Ca -0.15 1.72 -0.11 0.00 -0.03 0.00 0.00 56.01 57.44 1ktm n LEU 973 Cb 1.03 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1ktm n LEU 973 CO 0.48 -1.62 0.26 1.55 -1.33 0.00 0.00 177.39 176.73 1ktm h PRO 974 N 0.00 0.38 -0.74 3.23 0.13 -1.72 -3.06 132.00 130.21 1ktm h PRO 974 Ca 0.45 -0.37 0.22 0.00 -0.87 0.00 0.00 66.00 65.42 1ktm h PRO 974 Cb 0.70 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1ktm h PRO 974 CO -1.02 1.04 0.74 0.28 -0.23 0.00 0.00 178.00 178.81 1ktm h VAL 975 N 0.23 0.27 -2.41 1.56 2.07 0.66 -3.39 116.25 115.25 1ktm h VAL 975 Ca -0.06 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.92 1ktm h VAL 975 Cb 1.46 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1ktm h VAL 975 CO 0.14 0.00 -0.57 -0.76 0.02 0.00 0.00 177.57 176.40 1ktm s LEU 976 N -7.35 3.65 1.04 2.57 2.01 -0.51 -4.93 118.68 115.16 1ktm s LEU 976 Ca -0.04 -0.30 -0.16 0.00 0.01 0.00 0.00 54.13 53.64 1ktm s LEU 976 Cb 0.17 -2.22 0.22 0.00 0.01 0.00 0.00 46.19 44.37 1ktm s LEU 976 CO 0.58 0.01 1.20 -2.16 1.01 0.00 0.00 176.35 176.99 1ktm s PRO 977 N -3.52 0.07 1.00 1.29 0.04 -1.26 -4.93 135.00 127.70 1ktm s PRO 977 Ca 0.31 -0.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 1ktm s PRO 977 Cb -0.08 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.74 1ktm s PRO 977 CO 0.23 -2.84 -0.32 0.00 0.04 0.00 0.00 177.00 174.11 1ktm n ALA 978 N -4.13 -2.81 -1.95 8.56 0.00 -1.26 -3.54 120.51 115.38 1ktm n ALA 978 Ca 0.12 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 1ktm n ALA 978 Cb 0.59 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1ktm n ALA 978 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ktm n SER 979 N 0.22 -3.97 0.02 0.00 7.64 -1.26 -4.88 113.62 111.38 1ktm n SER 979 Ca 0.01 0.08 -0.01 0.00 1.01 0.00 0.00 58.87 59.97 1ktm n SER 979 Cb 0.53 -2.97 -0.00 0.00 -1.01 0.00 0.00 64.21 60.75 1ktm n SER 979 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ktm n THR 980 N -3.59 0.86 -0.33 0.44 -2.24 -1.23 -4.27 114.28 103.92 1ktm n THR 980 Ca -0.13 0.27 0.36 0.00 -2.27 0.00 0.00 64.05 62.27 1ktm n THR 980 Cb 0.54 -1.51 0.65 0.00 -2.10 0.00 0.00 70.33 67.91 1ktm n THR 980 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1ktm h HIS 981 N -0.12 0.00 0.01 4.78 2.07 -1.85 1.95 115.15 122.00 1ktm h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ktm h HIS 981 Cb 0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.10 1ktm h HIS 981 CO -0.05 0.00 -0.01 -0.09 -3.07 0.00 0.00 177.93 174.71 1ktm h ARG 982 N 0.00 -0.02 -0.65 5.12 2.43 -1.98 -2.62 114.38 116.67 1ktm h ARG 982 Ca 0.59 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.82 1ktm h ARG 982 Cb 2.78 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 32.28 1ktm h ARG 982 CO -0.01 -0.01 0.36 0.93 -1.51 0.00 0.00 179.97 179.73 1ktm h GLU 983 N -0.12 0.64 -0.41 0.20 5.08 -1.31 0.71 114.58 119.36 1ktm h GLU 983 Ca -0.00 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1ktm h GLU 983 Cb 0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1ktm h GLU 983 CO 0.00 0.42 0.28 0.82 -1.00 0.00 0.00 179.01 179.54 1ktm h ILE 984 N 0.66 0.96 -0.43 3.13 5.03 0.29 -0.01 117.51 127.13 1ktm h ILE 984 Ca 0.29 -0.11 -0.14 0.00 -0.12 0.00 0.00 64.86 64.78 1ktm h ILE 984 Cb 0.18 0.61 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 1ktm h ILE 984 CO -0.18 0.06 -0.27 -0.33 -0.68 0.00 0.00 178.15 176.75 1ktm h GLU 985 N 0.33 0.92 -0.75 2.37 4.39 -0.49 0.15 114.58 121.50 1ktm h GLU 985 Ca 0.18 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1ktm h GLU 985 Cb 0.30 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1ktm h GLU 985 CO -0.04 1.07 0.29 0.52 -1.16 0.00 0.00 179.01 179.69 1ktm h MET 986 N 0.78 1.13 -0.04 2.33 2.86 -0.15 -1.74 114.93 120.10 1ktm h MET 986 Ca 0.09 -0.21 -0.20 0.00 -2.06 0.00 0.00 59.70 57.32 1ktm h MET 986 Cb 0.84 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ktm h MET 986 CO 0.07 0.93 -0.83 0.00 1.06 0.00 0.00 176.91 178.14 1ktm h ALA 987 N 1.14 0.49 -0.73 6.32 0.00 -1.19 -2.40 119.26 122.88 1ktm h ALA 987 Ca 0.25 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ktm h ALA 987 Cb 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1ktm h ALA 987 CO -0.02 0.80 0.48 1.96 0.00 0.00 0.00 179.25 182.47 1ktm h GLN 988 N 0.25 0.84 0.00 0.00 1.08 -0.30 0.29 115.11 117.27 1ktm h GLN 988 Ca -0.05 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 1ktm h GLN 988 Cb 1.44 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 1ktm h GLN 988 CO 0.14 0.56 -0.64 0.87 -0.95 0.00 0.00 178.83 178.81 1ktm h LYS 989 N 0.86 0.00 0.36 1.46 6.56 -1.25 -2.84 116.57 121.72 1ktm h LYS 989 Ca 0.30 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 1ktm h LYS 989 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1ktm h LYS 989 CO -0.09 0.64 -0.17 1.25 -2.06 0.00 0.00 179.45 179.02 1ktm h LEU 990 N 0.00 -0.40 0.08 2.94 6.46 -0.45 -1.64 115.31 122.29 1ktm h LEU 990 Ca -0.01 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1ktm h LEU 990 Cb 1.42 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.43 1ktm h LEU 990 CO 0.08 0.04 -0.33 0.25 -0.62 0.00 0.00 178.44 177.86 1ktm h LEU 991 N -0.98 -1.00 -0.78 2.25 5.85 -0.62 -0.85 115.31 119.17 1ktm h LEU 991 Ca -0.05 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1ktm h LEU 991 Cb 0.52 0.37 -0.13 0.00 0.37 0.00 0.00 40.66 41.79 1ktm h LEU 991 CO 0.08 -0.35 -0.43 0.78 -0.34 0.00 0.00 178.44 178.18 1ktm h ASN 992 N -0.47 -1.52 0.00 1.25 4.21 -1.61 1.48 115.58 118.91 1ktm h ASN 992 Ca -0.00 0.28 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1ktm h ASN 992 Cb 0.48 0.73 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1ktm h ASN 992 CO -0.18 -0.30 0.00 -1.20 -1.29 0.00 0.00 177.43 174.46 1ktm n SER 993 N -5.41 0.00 -0.17 5.81 7.64 -0.62 0.15 113.62 121.02 1ktm n SER 993 Ca 0.05 0.96 0.17 0.00 1.01 0.00 0.00 58.87 61.06 1ktm n SER 993 Cb 0.35 -0.46 0.53 0.00 -1.01 0.00 0.00 64.21 63.62 1ktm n SER 993 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ktm h ASP 994 N 0.00 0.36 0.82 6.43 1.82 -0.24 0.26 116.42 125.88 1ktm h ASP 994 Ca 0.00 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1ktm h ASP 994 Cb 0.00 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 1ktm h ASP 994 CO 0.00 0.17 -0.47 0.25 -1.61 0.00 0.00 179.24 177.58 1ktm h LEU 995 N 0.37 -1.17 -0.14 2.28 5.85 0.61 0.26 115.31 123.37 1ktm h LEU 995 Ca 0.39 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1ktm h LEU 995 Cb 0.97 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1ktm h LEU 995 CO -0.12 -0.75 0.02 0.00 -0.34 0.00 0.00 178.44 177.25 1ktm h ALA 996 N -1.11 0.13 -0.64 1.25 0.00 0.25 0.07 119.26 119.21 1ktm h ALA 996 Ca -0.11 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.01 1ktm h ALA 996 Cb 0.95 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ktm h ALA 996 CO 0.13 -0.43 0.48 1.49 0.00 0.00 0.00 179.25 180.92 1ktm h GLU 997 N 0.07 0.00 0.07 0.00 4.57 -0.37 -0.64 114.58 118.28 1ktm h GLU 997 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1ktm h GLU 997 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1ktm h GLU 997 CO -0.09 0.00 -0.03 1.25 -1.18 0.00 0.00 179.01 178.96 1ktm h LEU 998 N 0.00 -0.08 -0.97 1.64 7.12 0.13 -2.99 115.31 120.15 1ktm h LEU 998 Ca 0.30 -0.54 0.30 0.00 0.13 0.00 0.00 57.88 58.08 1ktm h LEU 998 Cb 1.26 0.02 -0.15 0.00 -0.53 0.00 0.00 40.66 41.26 1ktm h LEU 998 CO -0.00 0.60 0.46 0.40 -0.13 0.00 0.00 178.44 179.77 1ktm h ILE 999 N -0.87 0.27 0.81 4.05 1.08 0.43 0.15 117.51 123.43 1ktm h ILE 999 Ca -0.01 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1ktm h ILE 999 Cb 0.61 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1ktm h ILE 999 CO 0.02 0.05 -0.41 -1.13 -0.69 0.00 0.00 178.15 175.98 1ktm h ASN 1000N 0.26 -1.00 -0.47 1.72 -1.24 -1.34 1.27 115.58 114.78 1ktm h ASN 1000Ca 0.69 0.04 0.14 0.00 0.71 0.00 0.00 56.30 57.88 1ktm h ASN 1000Cb 1.55 0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.85 1ktm h ASN 1000CO -0.64 -0.68 0.73 0.11 -1.29 0.00 0.00 177.43 175.65 1ktm h LYS 1001N -1.12 0.00 0.00 6.67 6.56 -0.64 0.25 116.57 128.29 1ktm h LYS 1001Ca -0.11 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.36 1ktm h LYS 1001Cb 0.87 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.51 1ktm h LYS 1001CO 0.17 0.00 -0.74 1.98 -2.06 0.00 0.00 179.45 178.79 1ktm h MET 1002N 0.00 0.00 -0.74 3.15 1.85 0.27 -2.72 114.93 116.74 1ktm h MET 1002Ca 0.23 0.00 0.21 0.00 -0.61 0.00 0.00 59.70 59.53 1ktm h MET 1002Cb 1.68 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.68 1ktm h MET 1002CO -0.00 0.70 0.54 0.87 -0.40 0.00 0.00 176.91 178.62 1ktm h LYS 1003N -1.00 0.00 0.01 0.39 1.57 0.43 0.10 116.57 118.07 1ktm h LYS 1003Ca -0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ktm h LYS 1003Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1ktm h LYS 1003CO -0.11 0.00 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.70 1ktm h LEU 1004N 0.00 -0.01 -0.96 2.94 3.38 -0.78 -3.30 115.31 116.57 1ktm h LEU 1004Ca 0.35 -0.81 0.23 0.00 0.09 0.00 0.00 57.88 57.75 1ktm h LEU 1004Cb 1.44 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.01 1ktm h LEU 1004CO -0.00 0.85 -0.11 0.00 0.09 0.00 0.00 178.44 179.26 1ktm n ALA 1005N -2.58 0.36 -0.33 1.53 0.00 -0.03 0.16 120.51 119.62 1ktm n ALA 1005Ca -0.09 1.05 0.15 0.00 0.00 0.00 0.00 53.44 54.55 1ktm n ALA 1005Cb 0.40 -0.70 0.29 0.00 0.00 0.00 0.00 19.45 19.44 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 -5.50 -0.08 -0.05 0.00 0.00 -0.85 0.23 117.38 111.12 1ktm n GLN 1006Ca 0.19 1.43 -0.14 0.00 -0.00 0.00 0.00 57.00 58.48 1ktm n GLN 1006Cb 0.61 -2.29 -0.14 0.00 0.00 0.00 0.00 30.24 28.43 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 -5.42 0.68 -0.80 3.69 7.27 0.39 -4.23 117.38 118.96 1ktm n GLN 1007Ca 0.23 0.19 -0.13 0.00 0.07 0.00 0.00 57.00 57.36 1ktm n GLN 1007Cb 0.76 -1.65 0.03 0.00 2.41 0.00 0.00 30.24 31.78 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 -3.13 1.24 0.00 3.69 4.01 0.42 -3.76 117.16 119.62 1ktm n TYR 1008Ca -0.30 -1.75 0.00 0.00 -0.16 0.00 0.00 57.90 55.68 1ktm n TYR 1008Cb 1.06 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1ktm n TYR 1008CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ktm n VAL 1009N 0.55 0.00 -0.52 -0.72 0.31 0.13 -2.84 118.33 115.24 1ktm n VAL 1009Ca 0.24 0.00 0.40 0.00 -0.01 0.00 0.00 64.34 64.97 1ktm n VAL 1009Cb 0.58 -0.94 0.64 0.00 -0.91 0.00 0.00 33.84 33.20 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 -2.68 -0.01 -3.95 5.55 -0.00 -1.25 -3.94 117.12 110.84 1ktm n MET 1010Ca 0.00 0.94 -0.21 0.00 -0.00 0.00 0.00 57.70 58.43 1ktm n MET 1010Cb 0.27 -2.05 -0.03 0.00 -0.00 0.00 0.00 33.22 31.40 1ktm n MET 1010CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ktm s THR 1011N -4.67 4.32 0.49 3.17 -1.32 -1.26 -4.97 115.64 111.40 1ktm s THR 1011Ca -0.05 -1.29 0.36 0.00 -1.21 0.00 0.00 61.69 59.50 1ktm s THR 1011Cb 0.23 -3.43 0.56 0.00 -1.51 0.00 0.00 72.50 68.36 1ktm s THR 1011CO 0.72 -0.28 1.68 0.28 -2.21 0.00 0.00 174.62 174.80 1ktm h SER 1012N 1.32 0.14 -1.83 8.08 0.02 -1.95 0.55 113.55 119.88 1ktm h SER 1012Ca -0.48 0.06 0.53 0.00 -0.84 0.00 0.00 61.79 61.06 1ktm h SER 1012Cb 1.24 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 1ktm h SER 1012CO 0.59 -0.05 1.39 0.25 -1.14 0.00 0.00 176.83 177.88 1ktm h LEU 1013N 0.08 0.00 0.00 5.07 7.12 -1.84 -1.96 115.31 123.78 1ktm h LEU 1013Ca 0.75 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.76 1ktm h LEU 1013Cb 2.68 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.81 1ktm h LEU 1013CO -0.18 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.80 1ktm n GLN 1014N -3.83 0.00 -0.28 1.25 7.27 0.19 0.14 117.38 122.13 1ktm n GLN 1014Ca 0.41 0.59 0.25 0.00 0.07 0.00 0.00 57.00 58.33 1ktm n GLN 1014Cb 1.94 -0.99 0.47 0.00 2.41 0.00 0.00 30.24 34.07 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 -1.83 -0.05 0.16 3.69 10.64 -0.74 0.12 117.38 129.37 1ktm n GLN 1015Ca 0.00 1.19 -0.14 0.00 -1.83 0.00 0.00 57.00 56.22 1ktm n GLN 1015Cb 0.00 -2.11 -0.07 0.00 -0.86 0.00 0.00 30.24 27.20 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 -0.62 -0.02 2.61 4.81 0.11 -1.79 114.58 119.68 1ktm h GLU 1016Ca 0.70 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.89 1ktm h GLU 1016Cb 1.81 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 1ktm h GLU 1016CO -0.68 -0.41 -0.37 1.88 -0.73 0.00 0.00 179.01 178.70 1ktm h TYR 1017N -0.65 0.05 -0.97 0.92 -1.99 0.21 -2.61 116.97 111.94 1ktm h TYR 1017Ca 0.01 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.87 1ktm h TYR 1017Cb 0.63 -0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.27 1ktm h TYR 1017CO -0.27 0.41 0.61 0.87 -0.00 0.00 0.00 178.16 179.78 1ktm h LYS 1018N 0.04 0.84 -0.15 4.88 1.79 0.43 0.10 116.57 124.50 1ktm h LYS 1018Ca 0.00 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1ktm h LYS 1018Cb 0.67 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1ktm h LYS 1018CO 0.05 0.56 -0.34 0.87 -1.08 0.00 0.00 179.45 179.51 1ktm h LYS 1019N 0.87 0.50 0.18 3.15 6.56 -1.00 -2.85 116.57 123.97 1ktm h LYS 1019Ca 0.50 -0.33 0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1ktm h LYS 1019Cb 0.63 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.29 1ktm h LYS 1019CO -0.27 0.94 -0.49 1.96 -2.06 0.00 0.00 179.45 179.54 1ktm h GLN 1020N 0.13 -0.73 -0.92 3.15 1.08 -0.88 -0.72 115.11 116.21 1ktm h GLN 1020Ca 0.00 0.05 0.20 0.00 -1.45 0.00 0.00 58.65 57.45 1ktm h GLN 1020Cb 0.94 0.17 -0.11 0.00 -0.05 0.00 0.00 27.48 28.42 1ktm h GLN 1020CO 0.07 -0.49 0.47 1.98 -0.95 0.00 0.00 178.83 179.92 1ktm h MET 1021N -0.76 0.53 -0.72 1.46 4.05 -0.95 0.30 114.93 118.84 1ktm h MET 1021Ca -0.00 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1ktm h MET 1021Cb 0.76 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.39 1ktm h MET 1021CO -0.24 0.35 0.43 1.25 0.23 0.00 0.00 176.91 178.93 1ktm h LEU 1022N 0.54 0.68 -0.54 3.39 7.12 -1.01 -0.24 115.31 125.25 1ktm h LEU 1022Ca 0.55 0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.68 1ktm h LEU 1022Cb 0.96 -0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 40.86 1ktm h LEU 1022CO -0.45 0.46 -0.10 0.74 -0.13 0.00 0.00 178.44 178.95 1ktm h THR 1023N 0.82 0.48 -0.38 1.05 2.02 0.10 0.89 112.91 117.89 1ktm h THR 1023Ca 0.30 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.43 1ktm h THR 1023Cb 0.10 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1ktm h THR 1023CO -0.14 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.82 1ktm h ALA 1024N 1.53 0.51 -0.88 6.16 0.00 -1.14 -2.01 119.26 123.43 1ktm h ALA 1024Ca 0.27 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.21 1ktm h ALA 1024Cb 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1ktm h ALA 1024CO -0.54 0.21 0.62 0.00 0.00 0.00 0.00 179.25 179.54 1ktm h ALA 1025N 0.92 2.64 0.41 0.00 0.00 0.75 1.80 119.26 125.79 1ktm h ALA 1025Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ktm h ALA 1025Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ktm h ALA 1025CO 0.01 -0.90 -0.20 1.25 0.00 0.00 0.00 179.25 179.41 1ktm h HIS 1026N 0.12 -0.52 -0.27 0.00 2.76 -0.17 -1.93 115.15 115.14 1ktm h HIS 1026Ca 0.43 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.53 1ktm h HIS 1026Cb 1.52 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.64 1ktm h HIS 1026CO -0.00 -0.19 -0.08 0.00 -1.30 0.00 0.00 177.93 176.35 1ktm h ALA 1027N -0.66 1.37 0.05 5.26 0.00 -0.81 -2.98 119.26 121.49 1ktm h ALA 1027Ca -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ktm h ALA 1027Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ktm h ALA 1027CO 0.09 0.43 -0.05 -0.07 0.00 0.00 0.00 179.25 179.66 1ktm h LEU 1028N 0.41 -0.13 -0.93 0.00 3.38 0.27 1.76 115.31 120.07 1ktm h LEU 1028Ca 0.08 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.40 1ktm h LEU 1028Cb 0.40 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 1ktm h LEU 1028CO 0.02 -0.06 0.30 0.00 0.09 0.00 0.00 178.44 178.79 1ktm n ALA 1029N -2.30 0.76 0.10 1.53 0.00 -0.73 0.12 120.51 119.99 1ktm n ALA 1029Ca -0.01 0.97 -0.12 0.00 0.00 0.00 0.00 53.44 54.27 1ktm n ALA 1029Cb 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 0.84 -0.57 0.00 2.07 -1.21 -2.10 116.25 115.28 1ktm h VAL 1030Ca 0.70 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1ktm h VAL 1030Cb 1.71 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1ktm h VAL 1030CO -0.78 0.17 -0.39 0.44 0.02 0.00 0.00 177.57 177.03 1ktm h ASP 1031N -0.74 -1.41 -0.80 0.57 3.32 1.06 1.99 116.42 120.41 1ktm h ASP 1031Ca -0.03 0.21 0.19 0.00 0.02 0.00 0.00 57.03 57.42 1ktm h ASP 1031Cb 0.50 0.61 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 1ktm h ASP 1031CO 0.05 -0.19 0.55 0.00 -1.72 0.00 0.00 179.24 177.93 1ktm h ALA 1032N -0.11 2.36 0.42 3.45 0.00 -1.03 -0.84 119.26 123.51 1ktm h ALA 1032Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ktm h ALA 1032Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ktm h ALA 1032CO -0.57 -0.60 -0.20 -0.22 0.00 0.00 0.00 179.25 177.66 1ktm h LYS 1033N 0.26 -0.54 -1.31 0.00 3.11 0.30 -2.88 116.57 115.52 1ktm h LYS 1033Ca 0.40 0.04 0.38 0.00 -2.81 0.00 0.00 60.65 58.65 1ktm h LYS 1033Cb 1.17 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 32.46 1ktm h LYS 1033CO -0.10 -0.24 0.93 -0.97 -2.81 0.00 0.00 179.45 176.26 1ktm h ASN 1034N -1.00 0.05 0.16 4.20 -0.73 0.36 1.58 115.58 120.21 1ktm h ASN 1034Ca -0.06 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1ktm h ASN 1034Cb 0.55 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1ktm h ASN 1034CO 0.09 -0.00 -0.08 0.25 -0.37 0.00 0.00 177.43 177.33 1ktm h LEU 1035N 0.04 -0.18 -0.79 0.34 6.46 -1.00 -2.40 115.31 117.78 1ktm h LEU 1035Ca 0.64 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.36 1ktm h LEU 1035Cb 2.46 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 42.40 1ktm h LEU 1035CO -0.06 -0.13 0.30 0.25 -0.62 0.00 0.00 178.44 178.18 1ktm h LEU 1036N -0.22 1.10 -0.95 2.25 5.85 -0.97 -2.83 115.31 119.54 1ktm h LEU 1036Ca -0.02 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.67 1ktm h LEU 1036Cb 0.16 -0.29 -0.16 0.00 0.37 0.00 0.00 40.66 40.75 1ktm h LEU 1036CO 0.04 0.99 -0.36 -0.67 -0.34 0.00 0.00 178.44 178.09 1ktm n ASP 1037N -4.27 -0.59 -0.23 1.25 2.03 0.53 0.20 116.55 115.47 1ktm n ASP 1037Ca 0.07 1.66 -0.06 0.00 0.52 0.00 0.00 54.79 56.98 1ktm n ASP 1037Cb 0.20 -0.39 0.04 0.00 -0.72 0.00 0.00 41.12 40.25 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 1.17 -0.44 5.18 2.07 -1.18 -2.13 116.25 120.92 1ktm h VAL 1038Ca 0.34 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1ktm h VAL 1038Cb 0.58 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1ktm h VAL 1038CO -0.95 0.17 0.17 0.40 0.02 0.00 0.00 177.57 177.39 1ktm h ILE 1039N 0.88 0.89 -1.01 4.57 2.04 0.24 0.55 117.51 125.67 1ktm h ILE 1039Ca 0.24 -0.12 0.24 0.00 1.00 0.00 0.00 64.86 66.21 1ktm h ILE 1039Cb -0.08 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 1ktm h ILE 1039CO -0.05 0.06 0.63 -0.78 0.00 0.00 0.00 178.15 178.01 1ktm h ASP 1040N 0.35 0.59 1.45 1.72 3.58 0.14 1.59 116.42 125.83 1ktm h ASP 1040Ca 0.20 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 1ktm h ASP 1040Cb 0.18 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1ktm h ASP 1040CO -0.19 0.15 -0.29 1.56 -2.88 0.00 0.00 179.24 177.59 1ktm h GLN 1041N 0.54 0.00 0.10 0.28 4.20 -0.68 -3.02 115.11 116.52 1ktm h GLN 1041Ca 0.59 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.16 1ktm h GLN 1041Cb 1.25 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.05 1ktm h GLN 1041CO -0.35 0.29 -0.63 0.00 -0.67 0.00 0.00 178.83 177.46 1ktm h ALA 1042N 1.71 -0.04 -0.45 3.87 0.00 0.35 -2.92 119.26 121.79 1ktm h ALA 1042Ca -0.00 -0.68 0.09 0.00 0.00 0.00 0.00 54.91 54.31 1ktm h ALA 1042Cb 1.09 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1ktm h ALA 1042CO 0.04 0.31 -0.04 -0.09 0.00 0.00 0.00 179.25 179.46 1ktm h ARG 1043N -0.56 0.06 -0.71 0.00 2.43 0.12 -0.12 114.38 115.60 1ktm h ARG 1043Ca -0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1ktm h ARG 1043Cb 1.46 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.96 1ktm h ARG 1043CO 0.09 0.04 0.46 1.37 -1.51 0.00 0.00 179.97 180.43 1ktm h LEU 1044N 0.06 0.82 -1.87 3.80 8.10 -1.64 -1.25 115.31 123.33 1ktm h LEU 1044Ca 0.22 -0.03 0.56 0.00 0.11 0.00 0.00 57.88 58.74 1ktm h LEU 1044Cb 0.33 -0.21 -0.09 0.00 -0.44 0.00 0.00 40.66 40.26 1ktm h LEU 1044CO -0.41 0.60 1.32 0.50 -4.11 0.00 0.00 178.44 176.34 1ktm h LYS 1045N 0.96 0.00 0.00 0.17 1.63 -0.80 0.89 116.57 119.42 1ktm h LYS 1045Ca 0.26 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1ktm h LYS 1045Cb -0.10 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1ktm h LYS 1045CO -0.05 0.00 -0.34 1.98 -3.45 0.00 0.00 179.45 177.58 1ktm h MET 1046N 0.00 0.00 -0.83 1.90 4.05 -1.14 -3.30 114.93 115.61 1ktm h MET 1046Ca 0.93 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 60.54 1ktm h MET 1046Cb 3.60 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 34.29 1ktm h MET 1046CO -0.11 0.92 0.32 0.82 0.23 0.00 0.00 176.91 179.09 1ktm h ILE 1047N -1.00 0.53 -2.21 1.77 2.04 0.81 -0.67 117.51 118.77 1ktm h ILE 1047Ca -0.09 -0.13 -0.80 0.00 1.00 0.00 0.00 64.86 64.84 1ktm h ILE 1047Cb 1.01 0.11 -0.27 0.00 -0.74 0.00 0.00 36.82 36.92 1ktm h ILE 1047CO -0.06 0.07 1.01 -0.24 0.00 0.00 0.00 178.15 178.94 1ktm n SER 1048N -5.06 7.34 -0.00 1.72 2.88 0.64 -4.50 113.62 116.63 1ktm n SER 1048Ca 0.18 -3.71 0.05 0.00 -1.33 0.00 0.00 58.87 54.06 1ktm n SER 1048Cb 0.55 -1.14 -0.13 0.00 -0.75 0.00 0.00 64.21 62.74 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 -0.13 0.65 0.00 -1.46 -0.00 -0.26 -4.87 117.38 111.30 1ktm n GLN 1049Ca 0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.44 1ktm n GLN 1049Cb 0.26 -1.62 0.00 0.00 -0.00 0.00 0.00 30.24 28.88 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ktm n SER 1050N -2.54 0.00 -4.67 2.61 2.88 -1.26 -5.12 113.62 105.52 1ktm n SER 1050Ca -0.11 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 56.97 1ktm n SER 1050Cb 0.74 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.16 1ktm n SER 1050CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ktm n ARG 1051N 0.00 2.19 0.02 -1.46 0.63 -1.26 -4.92 116.66 111.85 1ktm n ARG 1051Ca 0.00 0.79 -0.01 0.00 -0.92 0.00 0.00 57.85 57.72 1ktm n ARG 1051Cb 0.00 -2.60 -0.00 0.00 0.45 0.00 0.00 32.46 30.31 1ktm n ARG 1051CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1ktm h PRO 1052N 7.32 -0.06 -0.02 -0.14 0.13 -2.00 -3.45 132.00 133.79 1ktm h PRO 1052Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ktm h PRO 1052Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ktm h PRO 1052CO 0.91 -0.04 0.00 -2.39 -0.23 0.00 0.00 178.00 176.26