#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k40 n ASP 922 N 0.00 0.00 -0.12 6.41 8.00 -1.26 -1.86 116.55 127.72 1k40 n ASP 922 Ca 0.00 0.52 -0.03 0.00 0.71 0.00 0.00 54.79 55.99 1k40 n ASP 922 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1k40 n ASP 922 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1k40 n LYS 923 N -1.32 -0.13 -0.25 -1.24 4.81 -1.26 0.13 118.16 118.90 1k40 n LYS 923 Ca 0.00 0.90 -0.06 0.00 -0.87 0.00 0.00 58.31 58.28 1k40 n LYS 923 Cb 0.00 -1.33 0.05 0.00 0.02 0.00 0.00 35.03 33.76 1k40 n LYS 923 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1k40 h VAL 924 N 0.00 1.22 -0.46 3.15 2.07 -1.90 -2.53 116.25 117.80 1k40 h VAL 924 Ca 0.05 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1k40 h VAL 924 Cb 0.12 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1k40 h VAL 924 CO -0.28 0.25 0.20 0.22 0.02 0.00 0.00 177.57 177.98 1k40 h TYR 925 N 0.94 0.68 -0.87 1.57 3.20 0.12 -1.09 116.97 121.52 1k40 h TYR 925 Ca 0.24 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1k40 h TYR 925 Cb 0.07 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1k40 h TYR 925 CO -0.00 0.56 0.46 1.49 -1.64 0.00 0.00 178.16 179.03 1k40 h GLU 926 N 0.59 1.24 0.00 1.82 4.81 0.11 -0.80 114.58 122.35 1k40 h GLU 926 Ca 0.15 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1k40 h GLU 926 Cb 0.16 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1k40 h GLU 926 CO -0.02 0.92 -0.70 -0.91 -0.73 0.00 0.00 179.01 177.57 1k40 h ASN 927 N 1.23 0.00 -0.41 1.04 2.35 -1.25 -1.43 115.58 117.11 1k40 h ASN 927 Ca 0.31 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.95 1k40 h ASN 927 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1k40 h ASN 927 CO -0.05 0.70 -0.16 0.58 -1.65 0.00 0.00 177.43 176.86 1k40 h VAL 928 N 0.00 1.28 -0.71 2.81 2.07 -0.87 -1.92 116.25 118.90 1k40 h VAL 928 Ca -0.01 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1k40 h VAL 928 Cb 1.39 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1k40 h VAL 928 CO 0.09 0.43 0.31 0.74 0.02 0.00 0.00 177.57 179.17 1k40 h THR 929 N 0.64 1.24 -0.50 2.57 2.02 -1.08 -1.19 112.91 116.61 1k40 h THR 929 Ca 0.10 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1k40 h THR 929 Cb 0.70 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1k40 h THR 929 CO 0.05 0.29 0.22 1.23 0.37 0.00 0.00 175.52 177.68 1k40 h GLY 930 N 1.01 0.76 0.96 2.16 0.00 -1.03 0.12 103.07 107.05 1k40 h GLY 930 Ca 0.24 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1k40 h GLY 930 CO -0.03 0.34 -0.46 -2.00 0.00 0.00 0.00 176.54 174.39 1k40 h LEU 931 N 0.71 0.72 -0.42 3.11 5.85 -0.78 -1.40 115.31 123.10 1k40 h LEU 931 Ca 0.17 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1k40 h LEU 931 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1k40 h LEU 931 CO -0.02 1.17 0.20 0.58 -0.34 0.00 0.00 178.44 180.03 1k40 h VAL 932 N 0.31 1.18 -0.29 1.05 2.07 -0.88 0.13 116.25 119.82 1k40 h VAL 932 Ca -0.01 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1k40 h VAL 932 Cb 1.08 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1k40 h VAL 932 CO 0.10 0.19 0.00 0.11 0.02 0.00 0.00 177.57 178.00 1k40 h LYS 933 N 0.53 0.09 -0.74 1.57 1.57 -0.74 0.11 116.57 118.95 1k40 h LYS 933 Ca 0.14 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1k40 h LYS 933 Cb 0.13 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1k40 h LYS 933 CO -0.02 0.06 0.43 0.00 -0.57 0.00 0.00 179.45 179.35 1k40 h ALA 934 N 1.25 1.01 -0.52 3.86 0.00 -0.81 0.19 119.26 124.23 1k40 h ALA 934 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1k40 h ALA 934 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1k40 h ALA 934 CO -0.23 0.12 0.15 0.28 0.00 0.00 0.00 179.25 179.57 1k40 h VAL 935 N 0.78 1.23 -0.66 0.00 2.07 0.02 0.73 116.25 120.43 1k40 h VAL 935 Ca 0.33 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1k40 h VAL 935 Cb 0.20 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1k40 h VAL 935 CO -0.19 0.29 0.32 0.40 0.02 0.00 0.00 177.57 178.42 1k40 h ILE 936 N 0.71 1.22 0.00 4.57 2.04 -0.02 -0.40 117.51 125.63 1k40 h ILE 936 Ca 0.17 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1k40 h ILE 936 Cb 0.29 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1k40 h ILE 936 CO -0.00 0.26 -0.49 -0.33 0.00 0.00 0.00 178.15 177.58 1k40 h GLU 937 N 0.92 0.00 -0.31 2.37 5.08 -0.34 -1.92 114.58 120.38 1k40 h GLU 937 Ca 0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1k40 h GLU 937 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1k40 h GLU 937 CO -0.03 0.42 -0.28 1.98 -1.00 0.00 0.00 179.01 180.10 1k40 h MET 938 N 0.00 0.63 0.00 2.33 4.05 -0.65 -2.52 114.93 118.77 1k40 h MET 938 Ca -0.01 -0.27 -0.08 0.00 -0.28 0.00 0.00 59.70 59.06 1k40 h MET 938 Cb 1.34 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1k40 h MET 938 CO 0.05 0.84 -0.40 0.77 0.23 0.00 0.00 176.91 178.40 1k40 h SER 939 N 0.55 0.00 0.21 1.39 0.02 -0.87 -2.72 113.55 112.13 1k40 h SER 939 Ca 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1k40 h SER 939 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1k40 h SER 939 CO 0.06 0.40 -0.54 0.77 -1.14 0.00 0.00 176.83 176.39 1k40 h SER 940 N 0.00 0.40 0.49 3.07 4.64 -0.92 -3.22 113.55 118.01 1k40 h SER 940 Ca -0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k40 h SER 940 Cb 0.75 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1k40 h SER 940 CO 0.05 0.86 -0.39 0.29 -0.87 0.00 0.00 176.83 176.77 1k40 n LYS 941 N -3.94 0.19 0.49 4.77 5.02 -1.09 -4.47 118.16 119.13 1k40 n LYS 941 Ca -0.02 -0.10 -0.20 0.00 -2.02 0.00 0.00 58.31 55.97 1k40 n LYS 941 Cb 0.58 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 1k40 n LYS 941 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1k40 h ILE 942 N 0.25 0.06 -0.00 -0.18 2.04 -1.50 -3.07 117.51 115.11 1k40 h ILE 942 Ca 0.00 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1k40 h ILE 942 Cb 0.49 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1k40 h ILE 942 CO 0.00 0.00 -0.44 -0.61 0.00 0.00 0.00 178.15 177.10 1k40 h GLN 943 N -1.28 -0.57 -0.26 2.37 5.75 -1.79 -3.18 115.11 116.16 1k40 h GLN 943 Ca -0.13 0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1k40 h GLN 943 Cb 0.95 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1k40 h GLN 943 CO 0.21 -0.38 0.01 -1.00 -2.65 0.00 0.00 178.83 175.02 1k40 h PRO 944 N -0.59 0.44 -6.95 -2.39 0.13 -1.84 -3.46 132.00 117.35 1k40 h PRO 944 Ca 0.04 -0.14 -0.53 0.00 -0.87 0.00 0.00 66.00 64.51 1k40 h PRO 944 Cb 0.67 -0.04 0.08 0.00 0.13 0.00 0.00 31.00 31.84 1k40 h PRO 944 CO -0.33 0.60 0.62 0.00 -0.23 0.00 0.00 178.00 178.67 1k40 s ALA 945 N -5.03 3.28 1.15 -0.56 0.00 -1.16 -5.05 121.76 114.39 1k40 s ALA 945 Ca -0.14 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1k40 s ALA 945 Cb 0.08 -3.50 0.17 0.00 0.00 0.00 0.00 23.12 19.87 1k40 s ALA 945 CO 0.75 -0.85 0.57 -0.35 0.00 0.00 0.00 175.76 175.88 1k40 n PRO 946 N 0.14 -2.29 -0.04 0.00 -0.04 -1.26 -4.93 135.00 126.58 1k40 n PRO 946 Ca 0.04 -0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 62.44 1k40 n PRO 946 Cb 0.43 -0.89 -0.09 0.00 -0.04 0.00 0.00 33.50 32.92 1k40 n PRO 946 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1k40 h PRO 947 N 0.00 0.19 0.00 0.54 0.10 -1.93 -2.33 132.00 128.57 1k40 h PRO 947 Ca -0.22 -0.11 0.00 0.00 0.10 0.00 0.00 66.00 65.77 1k40 h PRO 947 Cb 0.68 0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.78 1k40 h PRO 947 CO 0.14 0.65 0.54 0.93 0.10 0.00 0.00 178.00 180.36 1k40 h GLU 948 N -0.26 0.00 -0.14 1.05 3.07 -1.94 1.30 114.58 117.65 1k40 h GLU 948 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1k40 h GLU 948 Cb 0.63 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1k40 h GLU 948 CO 0.02 0.00 -0.01 -1.91 -1.40 0.00 0.00 179.01 175.71 1k40 n GLU 949 N -1.92 2.13 -0.10 2.33 2.13 -0.88 -4.73 120.64 119.60 1k40 n GLU 949 Ca -0.00 -2.75 -0.22 0.00 0.66 0.00 0.00 57.16 54.85 1k40 n GLU 949 Cb 0.55 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.46 1k40 n GLU 949 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1k40 n TYR 950 N -0.96 0.97 -0.24 4.31 0.53 0.45 -3.94 117.16 118.28 1k40 n TYR 950 Ca 0.19 0.42 0.01 0.00 -1.02 0.00 0.00 57.90 57.51 1k40 n TYR 950 Cb 0.78 -1.09 0.14 0.00 -1.03 0.00 0.00 39.34 38.14 1k40 n TYR 950 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1k40 h VAL 951 N -1.00 0.82 -0.69 -0.72 2.07 -1.85 -2.31 116.25 112.56 1k40 h VAL 951 Ca -0.35 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1k40 h VAL 951 Cb 1.29 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1k40 h VAL 951 CO -0.21 0.10 0.40 -0.65 0.02 0.00 0.00 177.57 177.22 1k40 h PRO 952 N 0.55 0.71 0.10 1.57 0.11 -1.88 1.14 132.00 134.30 1k40 h PRO 952 Ca 0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1k40 h PRO 952 Cb 0.39 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1k40 h PRO 952 CO -0.28 0.47 -0.05 0.52 -0.21 0.00 0.00 178.00 178.44 1k40 h MET 953 N 0.73 -0.13 -0.22 1.05 2.86 -1.63 -1.00 114.93 116.58 1k40 h MET 953 Ca 0.31 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.87 1k40 h MET 953 Cb 0.18 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1k40 h MET 953 CO -0.18 -0.05 -0.25 0.28 1.06 0.00 0.00 176.91 177.77 1k40 h VAL 954 N -0.18 1.26 -0.30 -2.22 2.07 -0.87 -2.49 116.25 113.51 1k40 h VAL 954 Ca -0.01 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1k40 h VAL 954 Cb 0.14 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1k40 h VAL 954 CO 0.02 0.39 0.17 0.50 0.02 0.00 0.00 177.57 178.67 1k40 h LYS 955 N 0.37 0.35 -0.38 1.57 3.64 0.16 0.81 116.57 123.09 1k40 h LYS 955 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1k40 h LYS 955 Cb 0.64 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1k40 h LYS 955 CO 0.05 0.23 0.22 0.93 -2.27 0.00 0.00 179.45 178.61 1k40 h GLU 956 N 0.36 0.43 -0.73 1.90 5.08 -0.88 0.42 114.58 121.17 1k40 h GLU 956 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1k40 h GLU 956 Cb 0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1k40 h GLU 956 CO -0.06 0.29 0.23 0.28 -1.00 0.00 0.00 179.01 178.74 1k40 h VAL 957 N 0.45 1.26 -0.63 3.13 2.07 -1.15 -0.85 116.25 120.53 1k40 h VAL 957 Ca 0.15 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1k40 h VAL 957 Cb 0.01 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1k40 h VAL 957 CO -0.08 0.35 0.17 1.23 0.02 0.00 0.00 177.57 179.27 1k40 h GLY 958 N 1.11 1.07 1.38 2.17 0.00 -0.26 -0.01 103.07 108.53 1k40 h GLY 958 Ca 0.23 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1k40 h GLY 958 CO -0.01 0.62 -0.16 1.41 0.00 0.00 0.00 176.54 178.40 1k40 h LEU 959 N 0.92 0.72 -1.08 3.11 3.38 -0.65 -0.69 115.31 121.02 1k40 h LEU 959 Ca 0.20 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1k40 h LEU 959 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1k40 h LEU 959 CO -0.00 0.89 -0.31 0.00 0.09 0.00 0.00 178.44 179.11 1k40 h ALA 960 N 1.17 1.23 -0.17 1.53 0.00 -0.79 -2.55 119.26 119.68 1k40 h ALA 960 Ca 0.10 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1k40 h ALA 960 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1k40 h ALA 960 CO 0.04 0.52 -0.18 1.25 0.00 0.00 0.00 179.25 180.88 1k40 h LEU 961 N 0.22 0.45 -0.86 0.00 6.46 -0.28 -2.84 115.31 118.47 1k40 h LEU 961 Ca 0.03 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.35 1k40 h LEU 961 Cb 0.67 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.41 1k40 h LEU 961 CO 0.05 0.85 0.55 0.03 -0.62 0.00 0.00 178.44 179.29 1k40 h ARG 962 N 0.07 1.00 -0.80 1.25 3.08 -1.00 -0.63 114.38 117.35 1k40 h ARG 962 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1k40 h ARG 962 Cb 0.72 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1k40 h ARG 962 CO 0.04 0.66 0.35 1.15 -1.07 0.00 0.00 179.97 181.10 1k40 h THR 963 N 1.03 1.26 -0.36 2.04 2.02 -1.45 -0.57 112.91 116.87 1k40 h THR 963 Ca 0.36 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 1k40 h THR 963 Cb 0.09 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1k40 h THR 963 CO -0.15 0.32 -0.05 0.25 0.37 0.00 0.00 175.52 176.26 1k40 h LEU 964 N 1.15 0.67 -0.64 2.58 5.85 -1.13 -1.21 115.31 122.57 1k40 h LEU 964 Ca 0.27 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1k40 h LEU 964 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1k40 h LEU 964 CO -0.03 0.86 0.29 -0.07 -0.34 0.00 0.00 178.44 179.15 1k40 h LEU 965 N 0.48 0.86 -0.99 2.25 3.38 -0.85 -0.87 115.31 119.55 1k40 h LEU 965 Ca 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1k40 h LEU 965 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1k40 h LEU 965 CO 0.03 0.76 -0.08 0.00 0.09 0.00 0.00 178.44 179.24 1k40 h ALA 966 N 1.13 1.16 -0.23 1.53 0.00 -1.00 -1.02 119.26 120.83 1k40 h ALA 966 Ca 0.22 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1k40 h ALA 966 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1k40 h ALA 966 CO -0.02 0.53 -0.21 1.15 0.00 0.00 0.00 179.25 180.70 1k40 h THR 967 N 0.58 1.25 -0.03 0.00 2.02 -0.62 -2.12 112.91 113.99 1k40 h THR 967 Ca 0.11 -1.14 -0.24 0.00 0.77 0.00 0.00 66.41 65.91 1k40 h THR 967 Cb 0.49 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1k40 h THR 967 CO 0.03 0.36 -0.94 0.58 0.37 0.00 0.00 175.52 175.92 1k40 h VAL 968 N 0.37 1.33 -0.64 3.16 2.07 -0.75 -2.97 116.25 118.83 1k40 h VAL 968 Ca 0.06 -2.27 0.04 0.00 0.82 0.00 0.00 66.70 65.35 1k40 h VAL 968 Cb 0.58 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1k40 h VAL 968 CO 0.04 0.69 0.38 0.44 0.02 0.00 0.00 177.57 179.15 1k40 h ASP 969 N 0.35 0.61 0.36 0.57 3.32 -0.88 -0.15 116.42 120.60 1k40 h ASP 969 Ca -0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1k40 h ASP 969 Cb 1.57 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.00 1k40 h ASP 969 CO 0.18 0.42 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.94 1k40 h GLU 970 N 0.74 0.00 0.00 3.56 4.81 -1.39 -2.71 114.58 119.59 1k40 h GLU 970 Ca 0.26 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1k40 h GLU 970 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1k40 h GLU 970 CO -0.12 0.10 -1.26 1.15 -0.73 0.00 0.00 179.01 178.15 1k40 h THR 971 N 0.00 0.34 -0.03 0.32 2.02 -1.04 -3.41 112.91 111.11 1k40 h THR 971 Ca -0.00 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.54 1k40 h THR 971 Cb 0.31 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1k40 h THR 971 CO 0.01 0.19 -0.32 0.40 0.37 0.00 0.00 175.52 176.17 1k40 h ILE 972 N 0.00 0.30 -0.39 3.11 2.04 -0.74 -2.73 117.51 119.10 1k40 h ILE 972 Ca -0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1k40 h ILE 972 Cb 1.39 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1k40 h ILE 972 CO 0.03 0.00 0.50 1.55 0.00 0.00 0.00 178.15 180.23 1k40 h PRO 973 N -0.46 0.00 -0.21 2.37 0.13 -1.79 0.60 132.00 132.64 1k40 h PRO 973 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1k40 h PRO 973 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1k40 h PRO 973 CO -0.29 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.48 1k40 n ALA 974 N -2.24 2.50 -2.52 -0.56 0.00 -1.03 -4.87 120.51 111.79 1k40 n ALA 974 Ca 0.07 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1k40 n ALA 974 Cb 0.66 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1k40 n ALA 974 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k40 s LEU 975 N -1.33 2.82 0.18 0.00 1.43 0.20 -5.07 118.68 116.90 1k40 s LEU 975 Ca 0.27 -0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.51 1k40 s LEU 975 Cb 0.14 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.59 1k40 s LEU 975 CO 0.21 0.16 1.17 -0.81 0.23 0.00 0.00 176.35 177.31 1k40 n PRO 976 N 0.61 1.23 0.25 1.29 -0.04 -1.26 -4.80 135.00 132.29 1k40 n PRO 976 Ca -0.14 0.44 0.16 0.00 -0.04 0.00 0.00 63.50 63.92 1k40 n PRO 976 Cb 0.53 -1.94 0.84 0.00 -0.04 0.00 0.00 33.50 32.89 1k40 n PRO 976 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k40 h ALA 977 N 3.38 1.06 -0.00 0.55 0.00 -1.94 -0.74 119.26 121.57 1k40 h ALA 977 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1k40 h ALA 977 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1k40 h ALA 977 CO 0.70 -0.06 -0.07 -1.13 0.00 0.00 0.00 179.25 178.68 1k40 n SER 978 N -2.64 0.24 -0.00 0.00 3.41 -1.26 -3.18 113.62 110.19 1k40 n SER 978 Ca -0.02 -0.30 0.10 0.00 -0.26 0.00 0.00 58.87 58.39 1k40 n SER 978 Cb 0.12 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.77 1k40 n SER 978 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k40 n THR 979 N -1.16 0.00 0.17 6.66 -2.24 -0.29 -4.62 114.28 112.81 1k40 n THR 979 Ca 0.13 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 1k40 n THR 979 Cb 0.27 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1k40 n THR 979 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1k40 h HIS 980 N 0.00 -1.24 -0.81 4.78 3.86 -1.63 -1.89 115.15 118.21 1k40 h HIS 980 Ca 0.00 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.40 1k40 h HIS 980 Cb 0.61 0.51 -0.10 0.00 1.06 0.00 0.00 27.41 29.49 1k40 h HIS 980 CO 0.00 -0.56 0.34 0.00 0.86 0.00 0.00 177.93 178.57 1k40 h ARG 981 N -0.76 0.44 -0.35 2.45 3.08 -1.82 0.16 114.38 117.59 1k40 h ARG 981 Ca -0.01 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1k40 h ARG 981 Cb 0.73 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1k40 h ARG 981 CO -0.18 0.29 -0.13 0.93 -1.07 0.00 0.00 179.97 179.81 1k40 h GLU 982 N 0.45 0.70 -0.74 0.04 5.08 -1.81 -0.85 114.58 117.46 1k40 h GLU 982 Ca 0.47 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1k40 h GLU 982 Cb 0.76 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1k40 h GLU 982 CO -0.44 0.89 0.46 0.82 -1.00 0.00 0.00 179.01 179.73 1k40 h ILE 983 N 0.49 1.21 -0.67 3.13 2.04 -0.44 -0.75 117.51 122.51 1k40 h ILE 983 Ca 0.08 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1k40 h ILE 983 Cb 0.65 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1k40 h ILE 983 CO 0.04 0.21 0.39 -0.33 0.00 0.00 0.00 178.15 178.47 1k40 h GLU 984 N 1.01 0.92 -0.38 2.37 5.08 -0.57 -0.36 114.58 122.65 1k40 h GLU 984 Ca 0.27 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1k40 h GLU 984 Cb -0.05 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1k40 h GLU 984 CO -0.05 0.67 0.12 0.52 -1.00 0.00 0.00 179.01 179.27 1k40 h MET 985 N 0.92 0.26 0.00 2.33 2.86 -0.20 0.25 114.93 121.34 1k40 h MET 985 Ca 0.24 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1k40 h MET 985 Cb -0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1k40 h MET 985 CO -0.04 0.17 -0.24 0.00 1.06 0.00 0.00 176.91 177.85 1k40 h ALA 986 N 1.25 1.55 -0.23 6.32 0.00 -0.66 -2.47 119.26 125.03 1k40 h ALA 986 Ca 0.18 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1k40 h ALA 986 Cb 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k40 h ALA 986 CO -0.19 0.31 -0.38 1.96 0.00 0.00 0.00 179.25 180.95 1k40 h GLN 987 N 0.00 0.66 -0.33 0.00 4.20 0.53 -3.20 115.11 116.98 1k40 h GLN 987 Ca -0.00 -0.41 -0.08 0.00 0.06 0.00 0.00 58.65 58.23 1k40 h GLN 987 Cb 0.45 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1k40 h GLN 987 CO 0.03 1.02 -0.12 0.87 -0.67 0.00 0.00 178.83 179.96 1k40 h LYS 988 N 0.37 0.56 -0.64 1.46 1.57 -0.78 -2.84 116.57 116.27 1k40 h LYS 988 Ca 0.02 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1k40 h LYS 988 Cb 0.97 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1k40 h LYS 988 CO 0.09 0.68 0.38 1.25 -0.57 0.00 0.00 179.45 181.28 1k40 h LEU 989 N 0.52 0.62 -0.97 2.94 5.85 -1.46 -0.86 115.31 121.95 1k40 h LEU 989 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1k40 h LEU 989 Cb 0.52 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1k40 h LEU 989 CO 0.03 0.42 0.35 -0.07 -0.34 0.00 0.00 178.44 178.83 1k40 h LEU 990 N 0.75 0.99 -0.54 2.25 3.38 -1.50 0.11 115.31 120.74 1k40 h LEU 990 Ca 0.26 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1k40 h LEU 990 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1k40 h LEU 990 CO -0.12 0.84 0.16 0.78 0.09 0.00 0.00 178.44 180.20 1k40 h ASN 991 N 1.07 0.80 -0.61 -0.43 2.35 -1.28 -0.72 115.58 116.76 1k40 h ASN 991 Ca 0.26 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1k40 h ASN 991 Cb 0.13 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1k40 h ASN 991 CO -0.03 0.80 0.39 0.28 -1.65 0.00 0.00 177.43 177.22 1k40 h SER 992 N 0.75 0.72 -0.64 5.81 0.02 -0.45 -1.19 113.55 118.57 1k40 h SER 992 Ca 0.17 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1k40 h SER 992 Cb 0.29 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1k40 h SER 992 CO -0.00 0.54 0.38 0.44 -1.14 0.00 0.00 176.83 177.05 1k40 h ASP 993 N 0.83 0.60 -0.63 3.07 3.32 -0.42 0.30 116.42 123.49 1k40 h ASP 993 Ca 0.22 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1k40 h ASP 993 Cb -0.06 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1k40 h ASP 993 CO -0.05 0.41 0.30 0.25 -1.72 0.00 0.00 179.24 178.44 1k40 h LEU 994 N 0.73 0.85 -0.35 1.55 5.85 -0.70 0.14 115.31 123.39 1k40 h LEU 994 Ca 0.26 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1k40 h LEU 994 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1k40 h LEU 994 CO -0.13 0.73 0.03 1.23 -0.34 0.00 0.00 178.44 179.97 1k40 h GLY 995 N 1.01 0.64 1.08 3.75 0.00 -0.24 -0.06 103.07 109.24 1k40 h GLY 995 Ca 0.23 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1k40 h GLY 995 CO -0.03 0.41 0.41 -2.09 0.00 0.00 0.00 176.54 175.24 1k40 h GLU 996 N 0.41 1.19 0.11 4.80 4.57 -0.46 -0.07 114.58 125.14 1k40 h GLU 996 Ca 0.10 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1k40 h GLU 996 Cb 0.40 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1k40 h GLU 996 CO 0.01 0.91 -0.05 1.25 -1.18 0.00 0.00 179.01 179.95 1k40 h LEU 997 N 1.18 -0.12 -1.44 1.64 5.85 -0.34 -1.82 115.31 120.27 1k40 h LEU 997 Ca 0.29 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1k40 h LEU 997 Cb 0.10 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1k40 h LEU 997 CO -0.04 0.07 0.41 0.40 -0.34 0.00 0.00 178.44 178.94 1k40 h ILE 998 N -0.31 1.09 -0.55 4.05 2.04 -0.84 0.15 117.51 123.13 1k40 h ILE 998 Ca -0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1k40 h ILE 998 Cb 0.26 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1k40 h ILE 998 CO 0.02 0.13 0.33 -1.28 0.00 0.00 0.00 178.15 177.36 1k40 h SER 999 N 0.74 0.66 0.11 1.72 0.87 -0.72 -0.31 113.55 116.63 1k40 h SER 999 Ca 0.25 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1k40 h SER 999 Cb 0.06 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1k40 h SER 999 CO -0.07 0.53 -0.49 0.11 -0.53 0.00 0.00 176.83 176.38 1k40 h LYS 1000N 0.74 0.43 -0.76 2.24 1.79 -0.58 -3.00 116.57 117.43 1k40 h LYS 1000Ca 0.20 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1k40 h LYS 1000Cb -0.01 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 1k40 h LYS 1000CO -0.04 0.83 0.35 1.98 -1.08 0.00 0.00 179.45 181.49 1k40 h MET 1001N 0.35 1.09 -0.57 3.15 4.05 -0.48 -2.48 114.93 120.04 1k40 h MET 1001Ca 0.02 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1k40 h MET 1001Cb 0.98 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 1k40 h MET 1001CO 0.09 0.85 0.34 0.87 0.23 0.00 0.00 176.91 179.29 1k40 h LYS 1002N 1.08 0.66 -0.87 0.39 1.57 -0.92 -2.12 116.57 116.36 1k40 h LYS 1002Ca 0.26 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1k40 h LYS 1002Cb 0.13 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1k40 h LYS 1002CO -0.03 0.44 0.49 -0.07 -0.57 0.00 0.00 179.45 179.70 1k40 h LEU 1003N 0.68 1.09 -0.60 2.94 3.38 -1.45 -2.08 115.31 119.25 1k40 h LEU 1003Ca 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k40 h LEU 1003Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1k40 h LEU 1003CO -0.10 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1k40 h ALA 1004N 1.26 1.00 0.12 1.53 0.00 -1.16 -1.56 119.26 120.46 1k40 h ALA 1004Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 1k40 h ALA 1004Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1k40 h ALA 1004CO -0.05 0.00 -0.80 1.96 0.00 0.00 0.00 179.25 180.36 1k40 h GLN 1005N 0.00 0.25 -0.04 0.00 4.20 -0.76 -3.38 115.11 115.38 1k40 h GLN 1005Ca 0.00 -0.43 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 1k40 h GLN 1005Cb 0.59 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1k40 h GLN 1005CO 0.00 1.21 -0.55 0.37 -0.67 0.00 0.00 178.83 179.19 1k40 h GLN 1006N -0.45 0.44 -3.91 1.46 5.75 -1.35 -3.42 115.11 113.64 1k40 h GLN 1006Ca -0.15 -0.42 -0.77 0.00 -0.15 0.00 0.00 58.65 57.16 1k40 h GLN 1006Cb 1.58 0.11 -0.26 0.00 1.07 0.00 0.00 27.48 29.97 1k40 h GLN 1006CO 0.12 1.07 -0.04 0.71 -2.65 0.00 0.00 178.83 178.03 1k40 s TYR 1007N -3.40 3.59 -1.59 3.99 1.51 -0.59 -4.84 117.35 116.02 1k40 s TYR 1007Ca -0.13 -1.85 0.28 0.00 -1.01 0.00 0.00 57.07 54.35 1k40 s TYR 1007Cb 0.04 -3.75 1.01 0.00 -0.11 0.00 0.00 41.96 39.15 1k40 s TYR 1007CO 0.82 -0.99 1.73 0.28 -1.11 0.00 0.00 175.55 176.28 1k40 n VAL 1008N 4.32 0.00 -1.69 0.71 0.31 -1.26 -3.53 118.33 117.19 1k40 n VAL 1008Ca 0.05 -0.07 -0.44 0.00 -0.01 0.00 0.00 64.34 63.86 1k40 n VAL 1008Cb 0.44 0.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 1k40 n VAL 1008CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1k40 n MET 1009N -0.93 2.52 -0.36 5.55 0.00 -1.26 -4.66 117.12 117.98 1k40 n MET 1009Ca 0.12 0.91 -0.03 0.00 0.00 0.00 0.00 57.70 58.71 1k40 n MET 1009Cb 0.31 -2.76 0.01 0.00 0.00 0.00 0.00 33.22 30.78 1k40 n MET 1009CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1k40 h THR 1010N 4.28 0.02 -0.98 1.12 2.02 -1.98 0.49 112.91 117.88 1k40 h THR 1010Ca -0.46 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1k40 h THR 1010Cb 1.23 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1k40 h THR 1010CO 0.93 0.00 0.64 0.77 0.37 0.00 0.00 175.52 178.23 1k40 h SER 1011N -0.03 1.02 0.44 4.18 4.64 -1.96 -0.29 113.55 121.54 1k40 h SER 1011Ca 0.30 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.39 1k40 h SER 1011Cb 0.56 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1k40 h SER 1011CO -0.94 0.67 -0.99 -0.07 -0.87 0.00 0.00 176.83 174.63 1k40 h LEU 1012N 1.17 0.47 -0.27 5.97 3.38 -1.38 -3.12 115.31 121.52 1k40 h LEU 1012Ca 0.41 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1k40 h LEU 1012Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1k40 h LEU 1012CO -0.15 1.22 0.03 1.56 0.09 0.00 0.00 178.44 181.19 1k40 h GLN 1013N 0.18 0.45 -0.77 1.13 1.08 0.54 -1.16 115.11 116.56 1k40 h GLN 1013Ca -0.09 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1k40 h GLN 1013Cb 1.65 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.99 1k40 h GLN 1013CO 0.17 0.58 0.44 1.96 -0.95 0.00 0.00 178.83 181.03 1k40 h GLN 1014N 0.26 1.06 -0.12 1.46 4.20 -1.16 0.22 115.11 121.02 1k40 h GLN 1014Ca 0.08 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1k40 h GLN 1014Cb 0.36 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1k40 h GLN 1014CO 0.01 0.77 -0.05 1.49 -0.67 0.00 0.00 178.83 180.37 1k40 h GLU 1015N 1.07 0.25 0.00 1.46 4.57 -1.46 -2.48 114.58 118.00 1k40 h GLU 1015Ca 0.27 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1k40 h GLU 1015Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1k40 h GLU 1015CO -0.05 0.58 -0.40 1.88 -1.18 0.00 0.00 179.01 179.85 1k40 h TYR 1016N -0.09 0.00 -0.58 0.92 0.99 -1.01 -1.46 116.97 115.75 1k40 h TYR 1016Ca 0.03 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 1k40 h TYR 1016Cb 0.50 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.21 1k40 h TYR 1016CO 0.06 0.40 0.00 0.87 -0.00 0.00 0.00 178.16 179.49 1k40 h LYS 1017N 0.00 1.00 -0.42 4.88 1.57 -0.58 -1.76 116.57 121.25 1k40 h LYS 1017Ca -0.00 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1k40 h LYS 1017Cb 1.16 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1k40 h LYS 1017CO 0.05 0.98 0.02 -0.22 -0.57 0.00 0.00 179.45 179.71 1k40 h LYS 1018N 0.92 0.74 0.00 3.15 3.64 -1.08 -2.52 116.57 121.42 1k40 h LYS 1018Ca 0.17 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1k40 h LYS 1018Cb 0.53 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1k40 h LYS 1018CO 0.03 0.80 -0.33 1.96 -2.27 0.00 0.00 179.45 179.64 1k40 h GLN 1019N 0.58 0.00 -0.24 1.90 4.20 -1.11 -2.12 115.11 118.32 1k40 h GLN 1019Ca 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1k40 h GLN 1019Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1k40 h GLN 1019CO 0.02 0.33 -0.07 0.52 -0.67 0.00 0.00 178.83 178.96 1k40 h MET 1020N 0.00 0.46 0.09 1.46 2.86 -1.14 -1.64 114.93 117.03 1k40 h MET 1020Ca -0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1k40 h MET 1020Cb 0.63 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1k40 h MET 1020CO 0.04 0.70 -0.07 1.25 1.06 0.00 0.00 176.91 179.89 1k40 h LEU 1021N 0.20 -0.19 -0.55 1.22 6.46 -1.08 0.24 115.31 121.60 1k40 h LEU 1021Ca 0.06 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1k40 h LEU 1021Cb 0.53 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.48 1k40 h LEU 1021CO 0.03 -0.12 0.28 0.74 -0.62 0.00 0.00 178.44 178.75 1k40 h THR 1022N -0.18 0.95 -0.30 1.05 2.02 -1.41 -0.93 112.91 114.10 1k40 h THR 1022Ca -0.00 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1k40 h THR 1022Cb 0.16 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1k40 h THR 1022CO -0.01 0.10 -0.41 0.00 0.37 0.00 0.00 175.52 175.57 1k40 h ALA 1023N 1.30 0.72 -0.53 6.16 0.00 -0.90 -1.16 119.26 124.84 1k40 h ALA 1023Ca 0.25 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1k40 h ALA 1023Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1k40 h ALA 1023CO -0.17 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.89 1k40 h ALA 1024N 0.95 0.70 -0.17 0.00 0.00 -0.13 -2.73 119.26 117.87 1k40 h ALA 1024Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1k40 h ALA 1024Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1k40 h ALA 1024CO 0.09 0.38 -0.28 0.45 0.00 0.00 0.00 179.25 179.88 1k40 h HIS 1025N 0.74 0.36 -0.36 0.00 3.86 -1.03 -2.06 115.15 116.66 1k40 h HIS 1025Ca 0.17 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1k40 h HIS 1025Cb 0.31 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1k40 h HIS 1025CO 0.02 0.58 0.24 0.00 0.86 0.00 0.00 177.93 179.63 1k40 h ALA 1026N 1.42 1.80 -0.22 2.45 0.00 -0.91 -0.77 119.26 123.03 1k40 h ALA 1026Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1k40 h ALA 1026Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1k40 h ALA 1026CO 0.05 0.17 -0.08 1.25 0.00 0.00 0.00 179.25 180.63 1k40 h LEU 1027N 0.44 0.46 -1.42 0.00 5.85 -1.19 -1.86 115.31 117.58 1k40 h LEU 1027Ca 0.14 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1k40 h LEU 1027Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1k40 h LEU 1027CO -0.03 0.75 0.26 0.00 -0.34 0.00 0.00 178.44 179.07 1k40 h ALA 1028N 0.73 1.56 -0.06 1.25 0.00 -1.04 0.75 119.26 122.45 1k40 h ALA 1028Ca 0.05 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1k40 h ALA 1028Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1k40 h ALA 1028CO 0.03 0.37 -0.70 0.28 0.00 0.00 0.00 179.25 179.23 1k40 h VAL 1029N 0.65 1.41 0.00 0.00 2.07 -1.01 -2.59 116.25 116.78 1k40 h VAL 1029Ca 0.17 -2.16 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1k40 h VAL 1029Cb 0.02 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1k40 h VAL 1029CO -0.03 0.64 -0.30 0.44 0.02 0.00 0.00 177.57 178.34 1k40 h ASP 1030N 0.20 0.00 -0.31 0.57 3.32 -0.76 -2.02 116.42 117.42 1k40 h ASP 1030Ca -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1k40 h ASP 1030Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1k40 h ASP 1030CO 0.11 0.01 -0.13 0.00 -1.72 0.00 0.00 179.24 177.51 1k40 h ALA 1031N 1.99 0.43 -0.82 3.45 0.00 -0.75 -0.36 119.26 123.20 1k40 h ALA 1031Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1k40 h ALA 1031Cb 1.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1k40 h ALA 1031CO 0.00 0.31 0.37 -0.22 0.00 0.00 0.00 179.25 179.71 1k40 h LYS 1032N 0.39 1.19 -0.61 0.00 3.11 -1.36 -1.81 116.57 117.48 1k40 h LYS 1032Ca 0.07 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1k40 h LYS 1032Cb 0.65 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1k40 h LYS 1032CO 0.04 0.94 0.29 -0.97 -2.81 0.00 0.00 179.45 176.94 1k40 h ASN 1033N 1.17 0.81 -0.75 4.20 -0.73 -1.11 -0.59 115.58 118.58 1k40 h ASN 1033Ca 0.28 -0.13 0.04 0.00 1.87 0.00 0.00 56.30 58.36 1k40 h ASN 1033Cb 0.16 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.49 1k40 h ASN 1033CO -0.03 0.71 0.47 0.25 -0.37 0.00 0.00 177.43 178.46 1k40 h LEU 1034N 0.84 0.74 0.21 0.34 5.85 -0.51 0.09 115.31 122.87 1k40 h LEU 1034Ca 0.21 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1k40 h LEU 1034Cb 0.12 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1k40 h LEU 1034CO -0.03 0.50 -0.13 0.25 -0.34 0.00 0.00 178.44 178.69 1k40 h LEU 1035N 0.88 -0.33 -1.31 2.25 5.85 -0.82 -1.14 115.31 120.69 1k40 h LEU 1035Ca 0.32 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.19 1k40 h LEU 1035Cb 0.09 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1k40 h LEU 1035CO -0.14 -0.22 0.56 0.44 -0.34 0.00 0.00 178.44 178.75 1k40 h ASP 1036N -0.34 0.65 0.03 1.25 3.32 -0.46 0.91 116.42 121.78 1k40 h ASP 1036Ca -0.02 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1k40 h ASP 1036Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1k40 h ASP 1036CO 0.02 0.35 -0.28 0.58 -1.72 0.00 0.00 179.24 178.18 1k40 h VAL 1037N 0.70 1.27 -0.21 -1.35 2.07 -0.35 -1.37 116.25 117.01 1k40 h VAL 1037Ca 0.43 -1.29 -0.19 0.00 0.82 0.00 0.00 66.70 66.47 1k40 h VAL 1037Cb 0.65 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1k40 h VAL 1037CO -0.19 0.40 -0.63 0.40 0.02 0.00 0.00 177.57 177.57 1k40 h ILE 1038N 0.34 1.29 -0.48 4.57 1.08 0.34 -1.93 117.51 122.73 1k40 h ILE 1038Ca 0.05 -1.85 -0.11 0.00 -0.39 0.00 0.00 64.86 62.56 1k40 h ILE 1038Cb 0.68 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 1k40 h ILE 1038CO 0.05 0.59 -0.11 0.44 -0.69 0.00 0.00 178.15 178.43 1k40 h ASP 1039N 0.56 0.94 -0.54 1.72 3.32 -1.06 -0.62 116.42 120.74 1k40 h ASP 1039Ca -0.01 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.71 1k40 h ASP 1039Cb 1.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1k40 h ASP 1039CO 0.13 1.08 0.31 1.56 -1.72 0.00 0.00 179.24 180.60 1k40 h GLN 1040N 0.78 0.59 -0.42 3.56 4.20 -1.16 -0.35 115.11 122.31 1k40 h GLN 1040Ca 0.12 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1k40 h GLN 1040Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1k40 h GLN 1040CO 0.05 0.39 -0.05 0.00 -0.67 0.00 0.00 178.83 178.55 1k40 h ALA 1041N 1.26 1.12 -0.42 3.87 0.00 -1.11 -2.06 119.26 121.92 1k40 h ALA 1041Ca 0.23 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1k40 h ALA 1041Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1k40 h ALA 1041CO -0.12 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 1k40 h ARG 1042N 0.66 0.79 0.00 0.00 3.08 -0.42 -2.59 114.38 115.90 1k40 h ARG 1042Ca 0.13 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1k40 h ARG 1042Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1k40 h ARG 1042CO 0.03 0.91 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.51 1k40 h LEU 1043N 0.70 0.00 -0.69 3.04 3.38 -0.76 -2.14 115.31 118.84 1k40 h LEU 1043Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k40 h LEU 1043Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k40 h LEU 1043CO 0.05 0.26 0.00 1.17 0.09 0.00 0.00 178.44 180.01 1k40 n LYS 1044N -3.48 0.15 -0.02 1.13 3.00 -0.80 -1.80 118.16 116.34 1k40 n LYS 1044Ca -0.00 0.44 0.06 0.00 -0.00 0.00 0.00 58.31 58.80 1k40 n LYS 1044Cb 0.43 -1.82 0.32 0.00 0.00 0.00 0.00 35.03 33.97 1k40 n LYS 1044CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1k40 n MET 1045N -2.10 1.10 0.00 1.64 2.81 -0.81 -5.02 117.12 114.75 1k40 n MET 1045Ca 0.02 -0.15 0.14 0.00 -1.81 0.00 0.00 57.70 55.90 1k40 n MET 1045Cb 0.18 -1.20 0.59 0.00 -0.71 0.00 0.00 33.22 32.08 1k40 n MET 1045CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76