#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 3.49 -1.35 3.04 0.00 -1.26 -4.97 121.76 120.71 1ktm s ALA 916 Ca 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 51.96 49.41 1ktm s ALA 916 Cb 0.00 -2.98 0.11 0.00 0.00 0.00 0.00 23.12 20.25 1ktm s ALA 916 CO 0.00 -1.91 2.20 0.09 0.00 0.00 0.00 175.76 176.14 1ktm n ASN 917 N 5.05 6.37 -2.60 0.00 4.13 -1.26 -4.60 115.26 122.35 1ktm n ASN 917 Ca -0.11 -3.04 -0.23 0.00 1.68 0.00 0.00 54.58 52.88 1ktm n ASN 917 Cb 0.41 -1.46 -0.00 0.00 -1.54 0.00 0.00 39.78 37.19 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 3.29 3.89 -2.35 3.41 4.32 -1.26 -4.83 117.00 123.47 1ktm n LEU 918 Ca 0.53 -4.98 -0.33 0.00 -0.02 0.00 0.00 56.01 51.21 1ktm n LEU 918 Cb 0.31 -0.25 0.06 0.00 -1.62 0.00 0.00 43.42 41.92 1ktm n LEU 918 CO 0.79 2.13 1.15 -0.90 -1.22 0.00 0.00 177.39 179.34 1ktm n ASP 919 N -0.34 7.00 -0.02 -1.43 5.68 -1.26 -4.44 116.55 121.74 1ktm n ASP 919 Ca 0.32 -3.79 -0.01 0.00 -0.50 0.00 0.00 54.79 50.81 1ktm n ASP 919 Cb 0.66 -0.84 -0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1ktm n ASP 919 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ktm h ARG 920 N 2.19 0.00 0.00 0.11 1.12 -1.99 -3.32 114.38 112.49 1ktm h ARG 920 Ca 0.54 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 59.29 1ktm h ARG 920 Cb 0.86 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.80 1ktm h ARG 920 CO 1.37 0.00 -1.05 0.77 -3.11 0.00 0.00 179.97 177.95 1ktm h SER 921 N -0.40 0.00 0.59 -3.80 0.02 -1.96 -3.24 113.55 104.76 1ktm h SER 921 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ktm h SER 921 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ktm h SER 921 CO 0.00 0.45 0.00 -3.20 -1.14 0.00 0.00 176.83 172.94 1ktm n ASN 922 N -2.96 0.41 -0.01 3.07 2.85 -1.26 -2.27 115.26 115.09 1ktm n ASN 922 Ca -0.05 0.61 -0.16 0.00 -0.11 0.00 0.00 54.58 54.87 1ktm n ASN 922 Cb 0.76 -0.69 -0.11 0.00 1.24 0.00 0.00 39.78 40.98 1ktm n ASN 922 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1ktm h ASP 923 N 0.00 0.42 0.34 1.20 1.82 -1.66 -0.96 116.42 117.59 1ktm h ASP 923 Ca 0.00 -0.74 -0.02 0.00 -0.39 0.00 0.00 57.03 55.89 1ktm h ASP 923 Cb 0.30 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1ktm h ASP 923 CO 0.00 1.10 -0.16 0.50 -1.61 0.00 0.00 179.24 179.07 1ktm h LYS 924 N -0.22 -0.44 -0.41 0.28 3.11 -1.62 0.80 116.57 118.08 1ktm h LYS 924 Ca -0.05 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 1ktm h LYS 924 Cb 1.15 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 32.44 1ktm h LYS 924 CO 0.09 -0.28 0.16 0.28 -2.81 0.00 0.00 179.45 176.88 1ktm h VAL 925 N -0.47 0.90 0.00 2.00 2.07 -1.61 0.08 116.25 119.22 1ktm h VAL 925 Ca -0.05 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1ktm h VAL 925 Cb 0.36 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1ktm h VAL 925 CO 0.08 0.06 -0.21 1.88 0.02 0.00 0.00 177.57 179.40 1ktm h TYR 926 N 0.33 0.00 0.10 1.57 -1.99 -0.86 -2.15 116.97 113.97 1ktm h TYR 926 Ca 0.18 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1ktm h TYR 926 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1ktm h TYR 926 CO -0.14 0.21 -0.05 0.93 -0.00 0.00 0.00 178.16 179.11 1ktm h GLU 927 N 0.00 -0.13 -0.74 4.88 4.39 0.24 -2.59 114.58 120.63 1ktm h GLU 927 Ca -0.00 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1ktm h GLU 927 Cb 0.39 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.94 1ktm h GLU 927 CO 0.03 -0.09 -0.36 -0.91 -1.16 0.00 0.00 179.01 176.52 1ktm h ASN 928 N -0.21 -1.28 -0.81 1.42 4.21 -1.14 1.38 115.58 119.16 1ktm h ASN 928 Ca -0.01 0.26 0.08 0.00 1.21 0.00 0.00 56.30 57.84 1ktm h ASN 928 Cb 0.10 0.65 -0.11 0.00 -1.12 0.00 0.00 38.32 37.84 1ktm h ASN 928 CO 0.02 -0.30 -0.56 0.58 -1.29 0.00 0.00 177.43 175.89 1ktm h VAL 929 N -0.11 0.01 0.39 2.81 2.07 -1.47 0.88 116.25 120.83 1ktm h VAL 929 Ca 0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1ktm h VAL 929 Cb 0.57 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ktm h VAL 929 CO -0.79 0.00 -0.19 0.71 0.02 0.00 0.00 177.57 177.32 1ktm h THR 930 N -0.13 0.00 -0.77 2.57 1.35 -0.37 0.46 112.91 116.03 1ktm h THR 930 Ca 0.15 -0.19 0.20 0.00 -0.55 0.00 0.00 66.41 66.01 1ktm h THR 930 Cb 0.49 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.76 1ktm h THR 930 CO -0.83 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.00 1ktm n GLY 931 N -0.30 -1.12 0.10 5.82 0.00 0.45 0.21 105.19 110.34 1ktm n GLY 931 Ca -0.07 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.10 -2.00 0.99 8.10 0.78 -2.78 115.31 120.29 1ktm h LEU 932 Ca 0.44 -0.38 0.15 0.00 0.11 0.00 0.00 57.88 58.19 1ktm h LEU 932 Cb 0.85 0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 41.07 1ktm h LEU 932 CO -0.75 0.35 0.37 0.58 -4.11 0.00 0.00 178.44 174.89 1ktm h VAL 933 N -0.59 0.72 -0.07 0.15 2.07 0.34 0.99 116.25 119.86 1ktm h VAL 933 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ktm h VAL 933 Cb 0.48 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ktm h VAL 933 CO 0.02 0.00 0.03 0.11 0.02 0.00 0.00 177.57 177.75 1ktm h LYS 934 N 0.00 0.11 -0.49 1.57 1.79 0.27 -2.84 116.57 116.98 1ktm h LYS 934 Ca 0.24 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1ktm h LYS 934 Cb 0.98 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1ktm h LYS 934 CO -0.00 0.23 0.15 0.00 -1.08 0.00 0.00 179.45 178.75 1ktm h ALA 935 N 0.88 0.64 -0.99 3.86 0.00 -0.65 0.45 119.26 123.45 1ktm h ALA 935 Ca 0.03 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.98 1ktm h ALA 935 Cb 0.16 -0.19 -0.19 0.00 0.00 0.00 0.00 17.79 17.57 1ktm h ALA 935 CO -0.00 0.30 -0.14 0.28 0.00 0.00 0.00 179.25 179.69 1ktm h VAL 936 N 0.66 0.01 0.00 0.00 2.07 -0.76 1.38 116.25 119.62 1ktm h VAL 936 Ca 0.16 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1ktm h VAL 936 Cb 0.27 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1ktm h VAL 936 CO -0.00 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.80 1ktm h ILE 937 N 0.00 0.00 -0.81 4.57 5.03 -1.29 -3.33 117.51 121.68 1ktm h ILE 937 Ca 0.53 -0.84 0.17 0.00 -0.12 0.00 0.00 64.86 64.60 1ktm h ILE 937 Cb 0.93 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.57 1ktm h ILE 937 CO -0.98 0.00 -0.19 1.21 -0.68 0.00 0.00 178.15 177.51 1ktm n GLU 938 N -4.28 -0.07 -0.03 2.37 2.13 0.15 -0.08 120.64 120.82 1ktm n GLU 938 Ca -0.03 1.26 -0.09 0.00 0.66 0.00 0.00 57.16 58.96 1ktm n GLU 938 Cb 0.09 -1.88 -0.06 0.00 0.27 0.00 0.00 31.44 29.86 1ktm n GLU 938 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1ktm h MET 939 N 0.00 -0.31 -1.40 5.31 4.05 0.17 0.27 114.93 123.02 1ktm h MET 939 Ca 0.39 0.02 0.42 0.00 -0.28 0.00 0.00 59.70 60.26 1ktm h MET 939 Cb 0.61 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.39 1ktm h MET 939 CO -0.83 -0.20 0.95 0.66 0.23 0.00 0.00 176.91 177.72 1ktm h SER 940 N -0.32 0.17 -0.66 1.39 4.64 -0.60 2.57 113.55 120.75 1ktm h SER 940 Ca 0.03 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1ktm h SER 940 Cb 0.40 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1ktm h SER 940 CO -0.30 -0.07 0.10 -1.28 -0.87 0.00 0.00 176.83 174.40 1ktm h SER 941 N 0.09 1.06 -0.28 4.97 0.87 0.07 -2.84 113.55 117.49 1ktm h SER 941 Ca 0.77 -0.27 -0.10 0.00 -1.23 0.00 0.00 61.79 60.96 1ktm h SER 941 Cb 2.63 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 64.24 1ktm h SER 941 CO -0.24 1.06 -0.05 2.29 -0.53 0.00 0.00 176.83 179.36 1ktm n LYS 942 N -4.22 2.17 -0.11 2.24 2.85 0.63 -4.55 118.16 117.16 1ktm n LYS 942 Ca 0.04 -3.01 -0.25 0.00 -1.05 0.00 0.00 58.31 54.04 1ktm n LYS 942 Cb 0.30 -1.80 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 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 -0.94 1.55 -0.22 0.58 0.00 0.72 -2.58 119.36 118.47 1ktm n ILE 943 Ca 0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 62.75 62.71 1ktm n ILE 943 Cb 0.95 -1.91 0.00 0.00 0.00 0.00 0.00 39.64 38.68 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 -0.85 -0.15 -0.00 9.51 4.15 -1.80 -2.44 115.11 123.53 1ktm h GLN 944 Ca -0.52 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 1ktm h GLN 944 Cb 1.53 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1ktm h GLN 944 CO -0.27 -0.10 -0.05 -1.00 -1.93 0.00 0.00 178.83 175.48 1ktm h PRO 945 N -0.16 0.04 -3.50 -2.39 0.13 -1.86 -3.46 132.00 120.81 1ktm h PRO 945 Ca 0.24 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.86 1ktm h PRO 945 Cb 0.56 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.72 1ktm h PRO 945 CO -0.71 0.78 0.09 0.00 -0.23 0.00 0.00 178.00 177.93 1ktm n ALA 946 N -2.49 -2.12 -1.51 -0.56 0.00 -0.92 -4.89 120.51 108.02 1ktm n ALA 946 Ca -0.09 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1ktm n ALA 946 Cb 0.39 -1.04 0.21 0.00 0.00 0.00 0.00 19.45 19.01 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 0.25 -0.27 0.29 0.00 0.04 -1.26 -4.82 135.00 129.23 1ktm s PRO 947 Ca 0.54 -0.24 0.26 0.00 0.04 0.00 0.00 61.00 61.60 1ktm s PRO 947 Cb -0.76 -1.72 0.89 0.00 0.04 0.00 0.00 34.50 32.95 1ktm s PRO 947 CO 0.35 -3.05 1.76 -1.00 0.04 0.00 0.00 177.00 175.10 1ktm h PRO 948 N -2.10 0.00 0.00 0.56 0.13 -1.91 -0.93 132.00 127.76 1ktm h PRO 948 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1ktm h PRO 948 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1ktm h PRO 948 CO 0.36 0.00 -1.11 0.93 -0.23 0.00 0.00 178.00 177.95 1ktm h GLU 949 N 0.00 0.00 -0.01 0.86 5.08 -1.98 -3.09 114.58 115.44 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 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ktm h GLU 949 CO 0.00 0.28 -0.52 -1.91 -1.00 0.00 0.00 179.01 175.86 1ktm n GLU 950 N -2.93 1.11 -0.03 2.33 4.07 -1.07 -4.30 120.64 119.81 1ktm n GLU 950 Ca -0.05 -0.92 -0.21 0.00 -0.06 0.00 0.00 57.16 55.92 1ktm n GLU 950 Cb 0.76 -1.48 -0.13 0.00 -0.06 0.00 0.00 31.44 30.53 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 -0.14 0.93 -0.22 4.31 9.36 -0.37 -2.79 117.16 128.22 1ktm n TYR 951 Ca 0.09 0.20 0.03 0.00 3.32 0.00 0.00 57.90 61.54 1ktm n TYR 951 Cb 0.46 -1.12 0.14 0.00 -0.63 0.00 0.00 39.34 38.18 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 0.01 0.54 0.04 2.97 2.07 -1.72 -2.05 116.25 118.11 1ktm h VAL 952 Ca -0.46 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ktm h VAL 952 Cb 1.98 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1ktm h VAL 952 CO 0.03 0.04 -0.02 1.55 0.02 0.00 0.00 177.57 179.19 1ktm h PRO 953 N 0.21 -0.05 -0.67 1.57 0.13 -1.77 -3.03 132.00 128.39 1ktm h PRO 953 Ca 0.36 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.62 1ktm h PRO 953 Cb 0.59 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.61 1ktm h PRO 953 CO -0.49 0.59 -0.20 -0.12 -0.23 0.00 0.00 178.00 177.55 1ktm n MET 954 N -4.77 -0.09 0.01 0.86 1.56 -0.94 0.19 117.12 113.93 1ktm n MET 954 Ca -0.08 1.04 -0.13 0.00 -0.27 0.00 0.00 57.70 58.26 1ktm n MET 954 Cb 0.33 -1.55 -0.09 0.00 2.15 0.00 0.00 33.22 34.06 1ktm n MET 954 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ktm h VAL 955 N 0.00 1.26 -1.37 1.12 2.07 -1.48 -2.51 116.25 115.34 1ktm h VAL 955 Ca 0.29 -0.77 0.40 0.00 0.82 0.00 0.00 66.70 67.45 1ktm h VAL 955 Cb 0.46 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 1ktm h VAL 955 CO -0.68 0.20 0.95 0.11 0.02 0.00 0.00 177.57 178.16 1ktm h LYS 956 N -0.33 0.08 -0.25 1.57 1.79 0.21 1.34 116.57 120.98 1ktm h LYS 956 Ca -0.00 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1ktm h LYS 956 Cb 0.33 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ktm h LYS 956 CO 0.00 0.05 -0.34 0.93 -1.08 0.00 0.00 179.45 179.02 1ktm h GLU 957 N 0.09 0.67 -0.49 3.15 3.07 -0.23 -2.90 114.58 117.93 1ktm h GLU 957 Ca 0.71 -0.39 0.07 0.00 -0.50 0.00 0.00 59.36 59.25 1ktm h GLU 957 Cb 2.54 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 30.42 1ktm h GLU 957 CO -0.15 1.00 0.16 -0.24 -1.40 0.00 0.00 179.01 178.39 1ktm h VAL 958 N 0.39 0.81 -0.58 3.13 3.04 0.19 -0.10 116.25 123.13 1ktm h VAL 958 Ca 0.03 -0.11 0.08 0.00 -1.01 0.00 0.00 66.70 65.69 1ktm h VAL 958 Cb 0.92 0.46 -0.06 0.00 -2.01 0.00 0.00 31.29 30.59 1ktm h VAL 958 CO 0.08 0.06 0.24 1.23 -1.01 0.00 0.00 177.57 178.17 1ktm h GLY 959 N 0.33 0.82 1.00 3.17 0.00 -1.28 1.81 103.07 108.91 1ktm h GLY 959 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ktm h GLY 959 CO -0.26 0.02 0.11 -2.00 0.00 0.00 0.00 176.54 174.41 1ktm h LEU 960 N 0.44 0.19 -0.57 3.11 6.46 -1.05 1.44 115.31 125.33 1ktm h LEU 960 Ca 0.28 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.95 1ktm h LEU 960 Cb 0.31 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1ktm h LEU 960 CO -0.27 0.13 -0.01 0.00 -0.62 0.00 0.00 178.44 177.68 1ktm h ALA 961 N 1.06 0.76 -0.57 1.25 0.00 -0.14 -1.09 119.26 120.55 1ktm h ALA 961 Ca 0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1ktm h ALA 961 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ktm h ALA 961 CO -0.02 0.60 0.02 1.25 0.00 0.00 0.00 179.25 181.11 1ktm h LEU 962 N 0.89 0.92 0.60 0.00 7.12 0.33 -0.92 115.31 124.25 1ktm h LEU 962 Ca 0.16 -0.24 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1ktm h LEU 962 Cb 0.56 -0.25 0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1ktm h LEU 962 CO 0.03 0.97 -0.29 0.03 -0.13 0.00 0.00 178.44 179.05 1ktm h ARG 963 N 0.89 -0.78 -0.66 1.25 2.47 0.23 -2.59 114.38 115.19 1ktm h ARG 963 Ca 0.17 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 59.04 1ktm h ARG 963 Cb 0.49 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1ktm h ARG 963 CO 0.02 -0.49 0.44 1.15 0.56 0.00 0.00 179.97 181.65 1ktm h THR 964 N -0.87 0.92 -0.56 2.04 2.02 -1.13 -1.07 112.91 114.26 1ktm h THR 964 Ca -0.08 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.03 1ktm h THR 964 Cb 0.64 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1ktm h THR 964 CO 0.14 0.10 0.05 0.25 0.37 0.00 0.00 175.52 176.42 1ktm h LEU 965 N 0.53 -0.14 -0.04 2.58 7.12 -0.77 0.84 115.31 125.41 1ktm h LEU 965 Ca 0.30 0.12 0.02 0.00 0.13 0.00 0.00 57.88 58.46 1ktm h LEU 965 Cb 0.49 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.80 1ktm h LEU 965 CO -0.10 -0.05 -0.07 -0.07 -0.13 0.00 0.00 178.44 178.03 1ktm h LEU 966 N 0.17 -0.20 0.49 2.25 3.38 -0.99 0.45 115.31 120.85 1ktm h LEU 966 Ca 0.29 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1ktm h LEU 966 Cb 0.44 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ktm h LEU 966 CO -0.43 -0.10 -0.30 0.00 0.09 0.00 0.00 178.44 177.70 1ktm h ALA 967 N 0.94 -1.13 -0.98 1.53 0.00 -0.94 -2.12 119.26 116.56 1ktm h ALA 967 Ca 0.04 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 55.08 1ktm h ALA 967 Cb 0.15 0.41 -0.18 0.00 0.00 0.00 0.00 17.79 18.18 1ktm h ALA 967 CO -0.10 -1.10 0.06 1.79 0.00 0.00 0.00 179.25 179.90 1ktm h THR 968 N -0.74 0.03 -0.54 0.00 1.35 0.71 1.38 112.91 115.11 1ktm h THR 968 Ca -0.07 -0.01 0.09 0.00 -0.55 0.00 0.00 66.41 65.88 1ktm h THR 968 Cb 0.59 0.02 -0.07 0.00 -1.73 0.00 0.00 68.15 66.95 1ktm h THR 968 CO 0.06 0.00 0.13 0.58 -0.25 0.00 0.00 175.52 176.05 1ktm h VAL 969 N 0.02 0.71 -0.74 6.82 2.07 -0.52 0.51 116.25 125.12 1ktm h VAL 969 Ca 0.61 -0.09 0.21 0.00 0.82 0.00 0.00 66.70 68.25 1ktm h VAL 969 Cb 1.28 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ktm h VAL 969 CO -0.90 0.05 0.58 -0.78 0.02 0.00 0.00 177.57 176.54 1ktm h ASP 970 N 0.27 0.00 1.23 0.57 3.58 0.25 1.63 116.42 123.95 1ktm h ASP 970 Ca 0.28 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 1ktm h ASP 970 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1ktm h ASP 970 CO -0.34 0.00 -0.29 -0.08 -2.88 0.00 0.00 179.24 175.65 1ktm h GLU 971 N 0.00 0.00 0.00 0.28 4.81 0.37 -2.90 114.58 117.14 1ktm h GLU 971 Ca 0.35 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1ktm h GLU 971 Cb 1.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 1ktm h GLU 971 CO -0.00 0.29 -0.71 1.03 -0.73 0.00 0.00 179.01 178.88 1ktm h SER 972 N 0.00 0.00 -0.46 1.04 0.87 0.27 -3.24 113.55 112.03 1ktm h SER 972 Ca -0.00 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1ktm h SER 972 Cb 0.98 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.84 1ktm h SER 972 CO 0.04 0.13 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.11 1ktm h LEU 973 N 0.00 -0.95 -0.29 2.23 3.38 -0.87 0.69 115.31 119.50 1ktm h LEU 973 Ca -0.02 0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 1ktm h LEU 973 Cb 1.12 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ktm h LEU 973 CO 0.01 -0.29 -0.85 1.55 0.09 0.00 0.00 178.44 178.96 1ktm h PRO 974 N -0.18 0.37 -0.04 1.13 0.13 -1.71 -3.04 132.00 128.66 1ktm h PRO 974 Ca 0.20 -0.36 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1ktm h PRO 974 Cb 0.51 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1ktm h PRO 974 CO -0.57 1.02 0.03 0.28 -0.23 0.00 0.00 178.00 178.53 1ktm h VAL 975 N 0.23 0.94 -2.36 1.56 2.07 -1.19 -3.41 116.25 114.07 1ktm h VAL 975 Ca -0.05 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.94 1ktm h VAL 975 Cb 1.45 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 1ktm h VAL 975 CO 0.14 0.00 -0.54 -0.76 0.02 0.00 0.00 177.57 176.43 1ktm s LEU 976 N -8.92 3.80 0.00 2.57 2.01 0.23 -4.94 118.68 113.43 1ktm s LEU 976 Ca -0.05 -0.22 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1ktm s LEU 976 Cb 0.17 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 44.02 1ktm s LEU 976 CO 0.66 -0.00 0.00 -0.81 1.01 0.00 0.00 176.35 177.21 1ktm n PRO 977 N -0.90 0.58 -1.45 1.29 -0.04 -1.26 -4.82 135.00 128.39 1ktm n PRO 977 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1ktm n PRO 977 Cb 0.57 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.16 1ktm n PRO 977 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ktm s ALA 978 N -3.50 1.73 -0.89 0.55 0.00 -1.26 -4.01 121.76 114.38 1ktm s ALA 978 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1ktm s ALA 978 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1ktm s ALA 978 CO 0.00 -2.25 0.27 0.45 0.00 0.00 0.00 175.76 174.22 1ktm n SER 979 N -3.77 -4.00 -0.01 0.00 2.88 -1.26 -4.92 113.62 102.54 1ktm n SER 979 Ca 0.06 -0.13 -0.05 0.00 -1.33 0.00 0.00 58.87 57.42 1ktm n SER 979 Cb 0.58 -2.96 -0.02 0.00 -0.75 0.00 0.00 64.21 61.06 1ktm n SER 979 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ktm n THR 980 N -3.96 0.97 -0.02 2.46 -2.24 -1.26 -4.63 114.28 105.60 1ktm n THR 980 Ca -0.08 0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1ktm n THR 980 Cb 0.58 -1.74 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 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 -0.30 -1.30 0.00 4.78 2.07 -1.91 1.98 115.15 120.47 1ktm h HIS 981 Ca -0.09 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 1ktm h HIS 981 Cb 0.67 0.59 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1ktm h HIS 981 CO -0.09 -0.43 0.00 -2.13 -3.07 0.00 0.00 177.93 172.21 1ktm n ARG 982 N -4.83 0.00 -0.12 5.12 0.63 -1.26 0.47 116.66 116.66 1ktm n ARG 982 Ca -0.05 0.62 -0.09 0.00 -0.92 0.00 0.00 57.85 57.41 1ktm n ARG 982 Cb 0.30 -0.94 -0.01 0.00 0.45 0.00 0.00 32.46 32.26 1ktm n ARG 982 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ktm h GLU 983 N 0.00 0.52 -0.99 -0.14 5.08 -1.75 -1.98 114.58 115.32 1ktm h GLU 983 Ca 0.00 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1ktm h GLU 983 Cb 0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 1ktm h GLU 983 CO 0.00 0.41 0.62 0.82 -1.00 0.00 0.00 179.01 179.86 1ktm h ILE 984 N 0.49 0.87 -0.20 3.13 2.04 0.68 -0.31 117.51 124.21 1ktm h ILE 984 Ca 0.14 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1ktm h ILE 984 Cb 0.03 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 1ktm h ILE 984 CO -0.02 0.17 0.07 -0.08 0.00 0.00 0.00 178.15 178.28 1ktm h GLU 985 N 0.91 0.16 0.00 2.37 4.22 1.12 0.23 114.58 123.59 1ktm h GLU 985 Ca 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.94 1ktm h GLU 985 Cb 0.60 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ktm h GLU 985 CO -0.28 0.11 0.00 0.52 -2.18 0.00 0.00 179.01 177.18 1ktm h MET 986 N 0.16 0.00 0.00 1.92 2.86 -0.72 -0.67 114.93 118.48 1ktm h MET 986 Ca 0.09 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.50 1ktm h MET 986 Cb 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1ktm h MET 986 CO -0.09 0.00 -1.26 0.00 1.06 0.00 0.00 176.91 176.62 1ktm h ALA 987 N 2.05 0.57 -0.01 6.32 0.00 0.20 -2.85 119.26 125.55 1ktm h ALA 987 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 54.91 53.71 1ktm h ALA 987 Cb 0.22 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ktm h ALA 987 CO 0.00 1.29 -0.50 1.96 0.00 0.00 0.00 179.25 182.00 1ktm h GLN 988 N 0.00 0.35 -0.79 0.00 1.08 0.41 -2.88 115.11 113.28 1ktm h GLN 988 Ca -0.13 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.66 1ktm h GLN 988 Cb 1.81 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 29.31 1ktm h GLN 988 CO 0.10 1.05 0.32 0.87 -0.95 0.00 0.00 178.83 180.22 1ktm h LYS 989 N -0.20 1.17 -0.63 1.46 1.57 -1.41 -0.62 116.57 117.92 1ktm h LYS 989 Ca -0.06 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1ktm h LYS 989 Cb 1.22 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1ktm h LYS 989 CO 0.10 0.94 0.34 1.25 -0.57 0.00 0.00 179.45 181.51 1ktm h LEU 990 N 1.14 0.49 0.53 2.94 6.46 -1.54 0.60 115.31 125.94 1ktm h LEU 990 Ca 0.26 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1ktm h LEU 990 Cb 0.20 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1ktm h LEU 990 CO -0.02 0.32 -0.26 0.25 -0.62 0.00 0.00 178.44 178.11 1ktm h LEU 991 N 0.63 -0.61 -0.99 2.25 5.85 -1.19 -2.04 115.31 119.21 1ktm h LEU 991 Ca 0.28 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.31 1ktm h LEU 991 Cb 0.19 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 41.24 1ktm h LEU 991 CO -0.19 -0.36 0.55 -1.13 -0.34 0.00 0.00 178.44 176.97 1ktm h ASN 992 N -0.86 0.52 0.00 1.25 -1.24 -0.95 0.25 115.58 114.55 1ktm h ASN 992 Ca -0.07 0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1ktm h ASN 992 Cb 0.55 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1ktm h ASN 992 CO 0.12 -0.05 0.00 -0.24 -1.29 0.00 0.00 177.43 175.97 1ktm n SER 993 N -5.01 0.00 -0.39 1.15 2.88 0.21 0.11 113.62 112.57 1ktm n SER 993 Ca 0.29 0.74 0.31 0.00 -1.33 0.00 0.00 58.87 58.88 1ktm n SER 993 Cb 0.87 -0.24 0.60 0.00 -0.75 0.00 0.00 64.21 64.69 1ktm n SER 993 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ktm h ASP 994 N 0.00 0.31 0.26 -3.46 3.32 -0.72 -0.10 116.42 116.03 1ktm h ASP 994 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1ktm h ASP 994 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ktm h ASP 994 CO 0.00 -0.05 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.27 1ktm h LEU 995 N 0.21 -0.30 -0.94 1.55 -0.00 0.07 0.21 115.31 116.11 1ktm h LEU 995 Ca 0.71 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.75 1ktm h LEU 995 Cb 2.11 0.08 -0.15 0.00 -0.00 0.00 0.00 40.66 42.70 1ktm h LEU 995 CO -0.33 -0.20 -0.35 0.00 -0.00 0.00 0.00 178.44 177.56 1ktm n ALA 996 N -2.20 -0.07 -0.09 1.53 0.00 0.31 0.21 120.51 120.20 1ktm n ALA 996 Ca -0.04 0.95 -0.06 0.00 0.00 0.00 0.00 53.44 54.28 1ktm n ALA 996 Cb 0.14 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.15 1ktm n ALA 996 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ktm h GLU 997 N 0.00 0.18 -0.48 0.00 4.57 -1.18 0.39 114.58 118.06 1ktm h GLU 997 Ca 0.34 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1ktm h GLU 997 Cb 0.58 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1ktm h GLU 997 CO -0.94 0.12 0.25 1.25 -1.18 0.00 0.00 179.01 178.51 1ktm h LEU 998 N 0.18 0.61 -0.89 1.64 7.12 0.45 1.14 115.31 125.56 1ktm h LEU 998 Ca 0.16 -0.11 0.04 0.00 0.13 0.00 0.00 57.88 58.10 1ktm h LEU 998 Cb 0.17 -0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.09 1ktm h LEU 998 CO -0.20 0.54 0.57 0.40 -0.13 0.00 0.00 178.44 179.62 1ktm h ILE 999 N 0.63 1.12 -0.04 4.05 1.08 0.33 1.66 117.51 126.34 1ktm h ILE 999 Ca 0.17 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1ktm h ILE 999 Cb 0.08 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1ktm h ILE 999 CO -0.02 0.20 -0.13 -1.13 -0.69 0.00 0.00 178.15 176.37 1ktm h ASN 1000N 1.09 0.19 0.81 1.72 -1.24 0.41 -2.41 115.58 116.15 1ktm h ASN 1000Ca 0.36 -0.61 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 1ktm h ASN 1000Cb 0.05 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.05 1ktm h ASN 1000CO -0.13 0.77 -0.39 0.50 -1.29 0.00 0.00 177.43 176.89 1ktm h LYS 1001N -0.38 -1.05 -1.31 6.67 1.63 0.18 -2.27 116.57 120.04 1ktm h LYS 1001Ca -0.00 0.07 0.38 0.00 -0.85 0.00 0.00 60.65 60.25 1ktm h LYS 1001Cb 0.75 0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 32.55 1ktm h LYS 1001CO 0.03 -0.70 0.92 0.00 -3.45 0.00 0.00 179.45 176.25 1ktm h MET 1002N -1.10 0.07 -0.56 1.90 -0.00 0.23 1.61 114.93 117.09 1ktm h MET 1002Ca -0.11 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.52 1ktm h MET 1002Cb 0.83 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.39 1ktm h MET 1002CO 0.18 0.05 0.08 0.87 -0.00 0.00 0.00 176.91 178.10 1ktm h LYS 1003N 0.08 0.90 0.19 -0.10 1.57 -0.88 -2.71 116.57 115.61 1ktm h LYS 1003Ca 0.67 -0.22 -0.31 0.00 -1.87 0.00 0.00 60.65 58.92 1ktm h LYS 1003Cb 2.44 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 34.65 1ktm h LYS 1003CO -0.11 0.84 -1.37 -0.07 -0.57 0.00 0.00 179.45 178.17 1ktm h LEU 1004N 0.85 0.63 -1.09 2.94 3.38 0.25 -3.26 115.31 119.01 1ktm h LEU 1004Ca 0.17 -0.67 0.31 0.00 0.09 0.00 0.00 57.88 57.78 1ktm h LEU 1004Cb 0.39 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 1ktm h LEU 1004CO 0.01 1.53 0.61 0.00 0.09 0.00 0.00 178.44 180.68 1ktm h ALA 1005N 0.38 2.02 -0.85 1.53 0.00 -0.11 1.59 119.26 123.81 1ktm h ALA 1005Ca -0.20 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1ktm h ALA 1005Cb 2.07 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.87 1ktm h ALA 1005CO 0.24 -0.58 0.42 1.96 0.00 0.00 0.00 179.25 181.29 1ktm h GLN 1006N 0.38 0.56 0.00 0.00 7.50 -1.54 -1.30 115.11 120.71 1ktm h GLN 1006Ca 0.70 -0.03 -0.31 0.00 0.50 0.00 0.00 58.65 59.51 1ktm h GLN 1006Cb 1.62 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 28.97 1ktm h GLN 1006CO -0.52 0.37 -1.82 0.94 -1.50 0.00 0.00 178.83 176.30 1ktm n GLN 1007N -4.91 0.64 -0.80 1.46 7.27 0.30 -4.12 117.38 117.23 1ktm n GLN 1007Ca 0.18 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.37 1ktm n GLN 1007Cb 0.47 -1.75 0.03 0.00 2.41 0.00 0.00 30.24 31.40 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 -3.01 1.25 0.00 3.69 4.02 0.47 -3.69 117.16 119.89 1ktm n TYR 1008Ca -0.20 -1.74 0.00 0.00 -0.01 0.00 0.00 57.90 55.96 1ktm n TYR 1008Cb 1.07 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 1ktm n TYR 1008CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 1ktm n VAL 1009N 0.52 0.00 -0.25 -0.72 3.14 -0.59 -2.21 118.33 118.22 1ktm n VAL 1009Ca 0.24 0.00 0.32 0.00 -2.96 0.00 0.00 64.34 61.94 1ktm n VAL 1009Cb 0.59 -0.70 0.57 0.00 -1.06 0.00 0.00 33.84 33.24 1ktm n VAL 1009CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ktm h MET 1010N 0.00 0.00 0.00 1.45 -0.00 -1.77 -3.39 114.93 111.21 1ktm h MET 1010Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ktm h MET 1010Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 1ktm h MET 1010CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.91 174.54 1ktm n THR 1011N -3.49 0.00 0.11 -0.10 5.66 -1.26 -5.02 114.28 110.18 1ktm n THR 1011Ca 0.24 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.23 1ktm n THR 1011Cb 1.44 -0.78 -0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1ktm n THR 1011CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ktm h SER 1012N 0.00 0.00 -1.51 1.09 4.64 -1.92 -3.23 113.55 112.62 1ktm h SER 1012Ca 0.00 0.00 0.44 0.00 -0.47 0.00 0.00 61.79 61.76 1ktm h SER 1012Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1ktm h SER 1012CO 0.00 0.68 1.24 0.25 -0.87 0.00 0.00 176.83 178.13 1ktm h LEU 1013N 0.00 0.00 0.00 5.97 7.12 -1.86 -2.21 115.31 124.33 1ktm h LEU 1013Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ktm h LEU 1013Cb 1.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.62 1ktm h LEU 1013CO 0.09 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 180.07 1ktm n GLN 1014N -3.75 0.00 -0.51 1.25 7.27 -0.94 0.18 117.38 120.88 1ktm n GLN 1014Ca 0.34 0.58 0.40 0.00 0.07 0.00 0.00 57.00 58.39 1ktm n GLN 1014Cb 1.70 -1.01 0.64 0.00 2.41 0.00 0.00 30.24 33.99 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 -1.61 -0.02 0.29 3.69 10.64 -0.83 0.73 117.38 130.27 1ktm n GLN 1015Ca 0.00 1.01 -0.12 0.00 -1.83 0.00 0.00 57.00 56.06 1ktm n GLN 1015Cb 0.00 -2.14 -0.06 0.00 -0.86 0.00 0.00 30.24 27.19 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 -0.74 -0.83 2.61 4.81 0.18 -2.42 114.58 118.19 1ktm h GLU 1016Ca 0.78 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 60.09 1ktm h GLU 1016Cb 2.84 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 32.34 1ktm h GLU 1016CO -0.21 -0.49 0.54 1.88 -0.73 0.00 0.00 179.01 179.99 1ktm h TYR 1017N -0.99 1.01 -0.88 0.92 -1.99 0.22 -0.71 116.97 114.55 1ktm h TYR 1017Ca -0.08 0.03 0.19 0.00 2.00 0.00 0.00 58.73 60.87 1ktm h TYR 1017Cb 0.59 -0.33 -0.06 0.00 2.00 0.00 0.00 36.73 38.92 1ktm h TYR 1017CO 0.04 0.59 0.58 -0.22 -0.00 0.00 0.00 178.16 179.15 1ktm h LYS 1018N 1.05 0.41 0.00 4.88 1.63 -0.35 1.15 116.57 125.34 1ktm h LYS 1018Ca 0.33 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.02 1ktm h LYS 1018Cb -0.02 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1ktm h LYS 1018CO -0.11 0.27 -0.39 0.87 -3.45 0.00 0.00 179.45 176.64 1ktm h LYS 1019N 0.42 0.00 0.43 1.90 6.56 -0.63 -2.78 116.57 122.46 1ktm h LYS 1019Ca 0.46 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.03 1ktm h LYS 1019Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1ktm h LYS 1019CO -0.17 0.39 -0.21 1.96 -2.06 0.00 0.00 179.45 179.37 1ktm h GLN 1020N 0.00 -0.55 -0.76 3.15 1.08 0.20 -2.71 115.11 115.53 1ktm h GLN 1020Ca -0.00 0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.35 1ktm h GLN 1020Cb 1.24 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.74 1ktm h GLN 1020CO 0.05 -0.36 0.50 0.00 -0.95 0.00 0.00 178.83 178.07 1ktm h MET 1021N -1.15 0.58 -0.19 1.46 -0.00 -0.96 -1.03 114.93 113.64 1ktm h MET 1021Ca -0.06 -0.03 0.02 0.00 -0.00 0.00 0.00 59.70 59.62 1ktm h MET 1021Cb 0.45 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 1ktm h MET 1021CO 0.10 0.38 0.08 1.25 -0.00 0.00 0.00 176.91 178.72 1ktm h LEU 1022N 0.60 0.10 -0.76 -0.10 7.12 -1.53 0.79 115.31 121.53 1ktm h LEU 1022Ca 0.36 0.01 0.15 0.00 0.13 0.00 0.00 57.88 58.53 1ktm h LEU 1022Cb 0.58 -0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.60 1ktm h LEU 1022CO -0.13 0.09 0.28 0.74 -0.13 0.00 0.00 178.44 179.29 1ktm h THR 1023N 0.18 0.61 -0.48 1.05 2.02 -0.85 0.21 112.91 115.66 1ktm h THR 1023Ca 0.08 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1ktm h THR 1023Cb 0.04 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1ktm h THR 1023CO -0.07 0.07 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 1ktm h ALA 1024N 1.57 0.64 -0.59 6.16 0.00 -1.16 -1.58 119.26 124.31 1ktm h ALA 1024Ca 0.43 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1ktm h ALA 1024Cb 0.68 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ktm h ALA 1024CO -0.43 0.45 0.39 0.00 0.00 0.00 0.00 179.25 179.66 1ktm h ALA 1025N 0.92 1.88 0.10 0.00 0.00 0.16 1.79 119.26 124.12 1ktm h ALA 1025Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ktm h ALA 1025Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ktm h ALA 1025CO 0.03 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.49 1ktm h HIS 1026N 0.51 -0.13 -0.32 0.00 6.17 -0.17 -1.17 115.15 120.04 1ktm h HIS 1026Ca 0.26 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.26 1ktm h HIS 1026Cb 0.35 0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 1ktm h HIS 1026CO -0.00 0.31 -0.12 0.00 0.71 0.00 0.00 177.93 178.82 1ktm h ALA 1027N 0.21 1.18 0.37 5.26 0.00 -0.49 -2.89 119.26 122.91 1ktm h ALA 1027Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ktm h ALA 1027Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ktm h ALA 1027CO 0.02 0.52 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 1ktm h LEU 1028N 0.51 -0.48 -0.94 0.00 3.38 0.28 1.59 115.31 119.64 1ktm h LEU 1028Ca 0.09 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.48 1ktm h LEU 1028Cb 0.52 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 1ktm h LEU 1028CO 0.03 -0.32 0.50 0.00 0.09 0.00 0.00 178.44 178.74 1ktm n ALA 1029N -2.31 0.96 0.01 1.53 0.00 -0.45 0.11 120.51 120.36 1ktm n ALA 1029Ca -0.06 0.96 -0.11 0.00 0.00 0.00 0.00 53.44 54.23 1ktm n ALA 1029Cb 0.21 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 1.09 -0.65 0.00 2.07 -1.21 -2.53 116.25 115.03 1ktm h VAL 1030Ca 0.80 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 67.02 1ktm h VAL 1030Cb 2.10 1.89 -0.12 0.00 -1.52 0.00 0.00 31.29 33.65 1ktm h VAL 1030CO -0.73 0.31 -0.38 0.44 0.02 0.00 0.00 177.57 177.22 1ktm h ASP 1031N -0.84 -1.34 -0.62 0.57 3.32 0.97 1.80 116.42 120.29 1ktm h ASP 1031Ca -0.01 0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.36 1ktm h ASP 1031Cb 0.59 0.65 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1ktm h ASP 1031CO 0.02 -0.31 0.41 0.00 -1.72 0.00 0.00 179.24 177.64 1ktm h ALA 1032N 0.90 1.89 0.08 3.45 0.00 -0.36 -1.03 119.26 124.19 1ktm h ALA 1032Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ktm h ALA 1032Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ktm h ALA 1032CO -0.73 -0.01 -0.04 -0.22 0.00 0.00 0.00 179.25 178.25 1ktm h LYS 1033N 0.53 -0.11 -1.06 0.00 1.63 0.20 -2.94 116.57 114.82 1ktm h LYS 1033Ca 0.28 0.01 0.28 0.00 -0.85 0.00 0.00 60.65 60.36 1ktm h LYS 1033Cb 0.40 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.97 1ktm h LYS 1033CO -0.08 0.35 0.70 -0.97 -3.45 0.00 0.00 179.45 176.00 1ktm h ASN 1034N -0.62 0.34 0.11 4.20 -1.24 0.30 1.60 115.58 120.26 1ktm h ASN 1034Ca -0.01 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1ktm h ASN 1034Cb 0.51 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1ktm h ASN 1034CO 0.02 0.06 -0.06 0.25 -1.29 0.00 0.00 177.43 176.42 1ktm h LEU 1035N 0.30 -0.13 -1.47 0.34 6.46 -1.05 -2.15 115.31 117.61 1ktm h LEU 1035Ca 0.58 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.37 1ktm h LEU 1035Cb 1.66 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.59 1ktm h LEU 1035CO -0.22 -0.09 0.39 0.25 -0.62 0.00 0.00 178.44 178.15 1ktm h LEU 1036N -0.15 0.60 -1.25 2.25 5.85 -1.16 -0.55 115.31 120.90 1ktm h LEU 1036Ca -0.01 -0.01 0.28 0.00 0.84 0.00 0.00 57.88 58.97 1ktm h LEU 1036Cb 0.12 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 1ktm h LEU 1036CO 0.02 0.42 0.66 -0.78 -0.34 0.00 0.00 178.44 178.42 1ktm h ASP 1037N 0.70 0.50 1.32 1.25 1.82 0.24 1.97 116.42 124.22 1ktm h ASP 1037Ca 0.24 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.87 1ktm h ASP 1037Cb 0.07 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 1ktm h ASP 1037CO -0.06 0.06 -0.53 0.58 -1.61 0.00 0.00 179.24 177.68 1ktm h VAL 1038N 0.42 0.95 0.43 2.25 2.07 -0.42 -3.04 116.25 118.91 1ktm h VAL 1038Ca 0.63 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1ktm h VAL 1038Cb 1.52 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1ktm h VAL 1038CO -0.37 0.52 -0.21 0.40 0.02 0.00 0.00 177.57 177.93 1ktm h ILE 1039N 0.00 0.23 -0.53 4.57 2.04 0.31 0.18 117.51 124.32 1ktm h ILE 1039Ca -0.01 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.35 1ktm h ILE 1039Cb 1.33 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 1ktm h ILE 1039CO 0.07 0.05 -0.31 -0.78 0.00 0.00 0.00 178.15 177.18 1ktm h ASP 1040N -1.07 -1.06 0.21 1.72 1.82 -0.47 1.32 116.42 118.89 1ktm h ASP 1040Ca -0.06 0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1ktm h ASP 1040Cb 0.53 0.53 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 1ktm h ASP 1040CO 0.10 -0.30 -0.18 0.06 -1.61 0.00 0.00 179.24 177.31 1ktm h GLN 1041N -0.17 0.00 0.03 0.28 3.07 -1.58 -2.66 115.11 114.08 1ktm h GLN 1041Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.96 1ktm h GLN 1041Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 1ktm h GLN 1041CO -0.62 0.18 -0.01 0.00 0.09 0.00 0.00 178.83 178.46 1ktm h ALA 1042N 1.82 -0.04 -0.12 0.06 0.00 0.37 -2.95 119.26 118.40 1ktm h ALA 1042Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ktm h ALA 1042Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ktm h ALA 1042CO 0.02 -0.26 -0.13 -0.09 0.00 0.00 0.00 179.25 178.79 1ktm h ARG 1043N -0.56 -0.07 -0.96 0.00 2.43 0.16 0.18 114.38 115.56 1ktm h ARG 1043Ca -0.00 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.47 1ktm h ARG 1043Cb 0.52 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 29.92 1ktm h ARG 1043CO 0.01 -0.05 0.23 1.37 -1.51 0.00 0.00 179.97 180.01 1ktm h LEU 1044N -0.08 -0.12 -1.90 3.80 8.10 -1.62 1.61 115.31 125.10 1ktm h LEU 1044Ca 0.02 0.25 0.56 0.00 0.11 0.00 0.00 57.88 58.82 1ktm h LEU 1044Cb 0.13 0.36 -0.08 0.00 -0.44 0.00 0.00 40.66 40.63 1ktm h LEU 1044CO -0.15 -0.32 1.36 1.17 -4.11 0.00 0.00 178.44 176.39 1ktm n LYS 1045N -5.35 -0.00 -0.09 0.17 3.00 0.62 -0.18 118.16 116.34 1ktm n LYS 1045Ca 0.27 1.07 -0.12 0.00 -0.00 0.00 0.00 58.31 59.52 1ktm n LYS 1045Cb 0.88 -2.45 -0.06 0.00 0.00 0.00 0.00 35.03 33.40 1ktm n LYS 1045CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1ktm n MET 1046N -3.93 0.50 0.00 1.64 1.56 0.55 -4.53 117.12 112.91 1ktm n MET 1046Ca 0.43 0.53 0.00 0.00 -0.27 0.00 0.00 57.70 58.39 1ktm n MET 1046Cb 1.95 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 35.62 1ktm n MET 1046CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1ktm n ILE 1047N -4.53 0.00 -1.13 1.12 -0.00 0.75 -2.67 119.36 112.90 1ktm n ILE 1047Ca -0.19 1.17 -0.40 0.00 -0.00 0.00 0.00 62.75 63.34 1ktm n ILE 1047Cb 0.46 -1.81 -0.08 0.00 -0.00 0.00 0.00 39.64 38.21 1ktm n ILE 1047CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1ktm n SER 1048N -1.51 2.10 -2.04 4.38 2.88 -0.24 -3.59 113.62 115.60 1ktm n SER 1048Ca 0.00 -2.62 -0.01 0.00 -1.33 0.00 0.00 58.87 54.91 1ktm n SER 1048Cb 0.00 -1.08 0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1ktm n SER 1048CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ktm n GLN 1049N 7.54 0.38 0.00 -1.46 7.27 -1.09 -4.82 117.38 125.20 1ktm n GLN 1049Ca 0.48 -0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ktm n GLN 1049Cb 0.42 0.09 0.00 0.00 2.41 0.00 0.00 30.24 33.16 1ktm n GLN 1049CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ktm n SER 1050N -0.47 -0.04 -4.42 1.69 2.88 -1.24 -5.02 113.62 107.00 1ktm n SER 1050Ca -0.10 0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.03 1ktm n SER 1050Cb 0.63 0.29 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 1ktm n SER 1050CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ktm s ARG 1051N -2.00 2.94 -1.20 -1.46 0.52 -1.26 -4.99 118.95 111.49 1ktm s ARG 1051Ca 0.00 -1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 53.88 1ktm s ARG 1051Cb 0.00 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 1ktm s ARG 1051CO 0.00 -0.82 1.91 -0.35 0.02 0.00 0.00 175.30 176.06 1ktm n PRO 1052N 5.14 2.33 0.00 3.54 -0.04 -1.26 -4.93 135.00 139.78 1ktm n PRO 1052Ca -0.11 -2.66 0.05 0.00 -0.04 0.00 0.00 63.50 60.73 1ktm n PRO 1052Cb 0.46 -3.44 0.04 0.00 -0.04 0.00 0.00 33.50 30.52 1ktm n PRO 1052CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18