#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvx n SER 921 N 0.00 -5.59 -4.00 6.15 2.88 -1.26 -2.66 113.62 109.15 1qvx n SER 921 Ca 0.00 0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.25 1qvx n SER 921 Cb 0.00 -3.14 -0.02 0.00 -0.75 0.00 0.00 64.21 60.30 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qvx n ASN 922 N -0.87 -1.29 -3.24 -3.46 4.13 -1.26 -4.92 115.26 104.34 1qvx n ASN 922 Ca -0.01 -1.10 -0.03 0.00 1.68 0.00 0.00 54.58 55.12 1qvx n ASN 922 Cb 0.44 -2.66 0.03 0.00 -1.54 0.00 0.00 39.78 36.05 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qvx n ASP 923 N -2.82 -1.39 0.14 6.41 2.03 -1.09 -3.49 116.55 116.34 1qvx n ASP 923 Ca -0.26 -0.10 0.02 0.00 0.52 0.00 0.00 54.79 54.98 1qvx n ASP 923 Cb 0.66 -0.26 0.12 0.00 -0.72 0.00 0.00 41.12 40.93 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1qvx n LYS 924 N -0.13 0.04 0.16 -0.67 0.00 -1.26 0.37 118.16 116.68 1qvx n LYS 924 Ca 0.02 0.45 -0.14 0.00 0.00 0.00 0.00 58.31 58.64 1qvx n LYS 924 Cb 0.07 -2.16 -0.08 0.00 0.00 0.00 0.00 35.03 32.86 1qvx n LYS 924 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1qvx h VAL 925 N 0.00 0.75 0.00 3.15 -1.51 -1.87 -0.79 116.25 115.99 1qvx h VAL 925 Ca 0.00 -0.30 -0.15 0.00 -1.23 0.00 0.00 66.70 65.02 1qvx h VAL 925 Cb 1.08 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 1qvx h VAL 925 CO 0.00 0.06 -0.74 0.22 -1.23 0.00 0.00 177.57 175.89 1qvx h TYR 926 N -0.54 0.00 0.32 5.19 3.20 -0.12 -3.12 116.97 121.91 1qvx h TYR 926 Ca -0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1qvx h TYR 926 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1qvx h TYR 926 CO -0.02 0.74 -0.15 0.93 -1.64 0.00 0.00 178.16 178.02 1qvx h GLU 927 N 0.00 -0.41 -0.36 1.82 5.08 -1.47 -2.72 114.58 116.52 1qvx h GLU 927 Ca -0.01 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1qvx h GLU 927 Cb 1.45 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1qvx h GLU 927 CO 0.10 -0.28 -0.16 -0.97 -1.00 0.00 0.00 179.01 176.70 1qvx h ASN 928 N -0.48 0.65 -0.85 1.42 -1.24 -1.26 -1.08 115.58 112.74 1qvx h ASN 928 Ca -0.04 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.74 1qvx h ASN 928 Cb 0.33 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 1qvx h ASN 928 CO 0.07 0.83 0.46 1.62 -1.29 0.00 0.00 177.43 179.12 1qvx h VAL 929 N 0.59 1.25 -0.21 2.57 3.04 -1.64 0.16 116.25 122.02 1qvx h VAL 929 Ca 0.10 -0.64 -0.08 0.00 -1.01 0.00 0.00 66.70 65.07 1qvx h VAL 929 Cb 0.61 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 1qvx h VAL 929 CO 0.04 0.29 -0.21 0.74 -1.01 0.00 0.00 177.57 177.42 1qvx h THR 930 N 1.20 1.24 -0.28 3.17 2.02 -1.12 -1.47 112.91 117.68 1qvx h THR 930 Ca 0.30 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.46 1qvx h THR 930 Cb 0.04 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1qvx h THR 930 CO -0.05 0.35 0.20 1.23 0.37 0.00 0.00 175.52 177.62 1qvx h GLY 931 N 0.95 0.01 0.93 2.16 0.00 0.54 0.61 103.07 108.27 1qvx h GLY 931 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1qvx h GLY 931 CO 0.04 0.00 0.14 1.41 0.00 0.00 0.00 176.54 178.13 1qvx h LEU 932 N 0.00 0.46 -1.04 3.11 4.07 0.07 0.46 115.31 122.45 1qvx h LEU 932 Ca 0.13 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1qvx h LEU 932 Cb 0.52 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 1qvx h LEU 932 CO -0.00 0.49 0.19 0.58 -1.08 0.00 0.00 178.44 178.63 1qvx h VAL 933 N 0.40 1.22 -0.08 1.22 2.07 -1.11 0.19 116.25 120.17 1qvx h VAL 933 Ca 0.11 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1qvx h VAL 933 Cb 0.17 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1qvx h VAL 933 CO -0.01 0.29 -0.39 0.11 0.02 0.00 0.00 177.57 177.59 1qvx h LYS 934 N 0.86 0.16 0.00 1.57 1.79 -0.58 -2.39 116.57 117.98 1qvx h LYS 934 Ca 0.20 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 1qvx h LYS 934 Cb 0.23 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1qvx h LYS 934 CO -0.01 0.53 -0.47 0.00 -1.08 0.00 0.00 179.45 178.42 1qvx h ALA 935 N 1.47 0.76 -0.00 3.86 0.00 0.94 -2.02 119.26 124.27 1qvx h ALA 935 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qvx h ALA 935 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1qvx h ALA 935 CO 0.06 0.58 -0.04 1.55 0.00 0.00 0.00 179.25 181.40 1qvx n VAL 936 N -3.31 0.00 0.08 0.00 3.14 0.57 -1.82 118.33 116.98 1qvx n VAL 936 Ca 0.01 -0.01 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1qvx n VAL 936 Cb 0.67 -0.39 -0.02 0.00 -1.06 0.00 0.00 33.84 33.04 1qvx n VAL 936 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1qvx h ILE 937 N 0.10 1.46 -0.96 1.55 2.04 -0.86 -2.85 117.51 118.00 1qvx h ILE 937 Ca 0.00 -2.55 0.14 0.00 1.00 0.00 0.00 64.86 63.46 1qvx h ILE 937 Cb 0.36 2.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.78 1qvx h ILE 937 CO 0.00 0.75 0.58 -0.33 0.00 0.00 0.00 178.15 179.14 1qvx h GLU 938 N 0.15 0.82 -0.38 2.37 4.39 -1.09 0.41 114.58 121.25 1qvx h GLU 938 Ca -0.05 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1qvx h GLU 938 Cb 1.52 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 1qvx h GLU 938 CO 0.14 0.54 0.19 1.98 -1.16 0.00 0.00 179.01 180.70 1qvx h MET 939 N 0.84 0.37 -0.23 2.33 4.05 -1.32 0.44 114.93 121.42 1qvx h MET 939 Ca 0.51 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.86 1qvx h MET 939 Cb 0.63 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1qvx h MET 939 CO -0.32 0.25 -0.07 0.77 0.23 0.00 0.00 176.91 177.77 1qvx h SER 940 N 0.38 0.34 0.04 1.39 0.02 -1.02 -1.56 113.55 113.15 1qvx h SER 940 Ca 0.16 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1qvx h SER 940 Cb 0.07 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1qvx h SER 940 CO -0.11 0.46 -0.55 0.28 -1.14 0.00 0.00 176.83 175.77 1qvx h SER 941 N 0.35 0.41 -0.44 3.07 0.02 -0.05 -3.11 113.55 113.79 1qvx h SER 941 Ca 0.07 -0.84 0.06 0.00 -0.84 0.00 0.00 61.79 60.24 1qvx h SER 941 Cb 0.35 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1qvx h SER 941 CO 0.02 1.20 0.15 0.11 -1.14 0.00 0.00 176.83 177.17 1qvx h LYS 942 N -0.34 0.31 0.00 3.45 1.79 -0.00 -2.37 116.57 119.41 1qvx h LYS 942 Ca -0.08 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.29 1qvx h LYS 942 Cb 1.33 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1qvx h LYS 942 CO 0.11 0.20 -0.40 0.97 -1.08 0.00 0.00 179.45 179.25 1qvx h ILE 943 N 0.32 1.17 0.27 1.86 2.10 -1.36 -3.30 117.51 118.57 1qvx h ILE 943 Ca 0.20 -1.40 -0.00 0.00 1.08 0.00 0.00 64.86 64.74 1qvx h ILE 943 Cb 0.20 1.78 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 1qvx h ILE 943 CO -0.21 0.39 -0.42 1.56 -1.08 0.00 0.00 178.15 178.39 1qvx h GLN 944 N 0.00 -0.70 0.06 2.19 4.20 -1.35 -3.31 115.11 116.20 1qvx h GLN 944 Ca -0.00 0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.50 1qvx h GLN 944 Cb 0.75 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1qvx h GLN 944 CO 0.05 -0.47 -1.08 -1.35 -0.67 0.00 0.00 178.83 175.31 1qvx h PRO 945 N -0.73 0.37 -6.20 1.46 0.11 -1.66 -3.47 132.00 121.87 1qvx h PRO 945 Ca -0.03 -0.48 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 1qvx h PRO 945 Cb 0.67 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 1qvx h PRO 945 CO -0.13 1.17 -0.46 0.00 -0.21 0.00 0.00 178.00 178.37 1qvx s ALA 946 N -3.00 3.81 1.14 -0.75 0.00 -1.24 -5.14 121.76 116.58 1qvx s ALA 946 Ca -0.05 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1qvx s ALA 946 Cb 0.08 -1.21 0.28 0.00 0.00 0.00 0.00 23.12 22.26 1qvx s ALA 946 CO 0.88 0.05 1.22 -2.14 0.00 0.00 0.00 175.76 175.77 1qvx s PRO 947 N -3.98 -0.79 0.37 0.00 0.02 -1.26 -4.78 135.00 124.58 1qvx s PRO 947 Ca 0.40 -0.36 0.11 0.00 0.02 0.00 0.00 61.00 61.16 1qvx s PRO 947 Cb -0.06 -1.67 0.59 0.00 0.02 0.00 0.00 34.50 33.38 1qvx s PRO 947 CO 0.26 -3.38 1.21 -1.35 -0.33 0.00 0.00 177.00 173.41 1qvx h PRO 948 N -2.33 0.00 -0.00 5.54 0.11 -1.98 0.23 132.00 133.56 1qvx h PRO 948 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qvx h PRO 948 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qvx h PRO 948 CO 0.29 0.00 0.11 1.05 -0.21 0.00 0.00 178.00 179.24 1qvx h GLU 949 N 0.00 0.00 0.00 1.05 4.11 -1.97 0.34 114.58 118.11 1qvx h GLU 949 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1qvx h GLU 949 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1qvx h GLU 949 CO 0.00 0.00 -0.93 1.05 0.07 0.00 0.00 179.01 179.20 1qvx h GLU 950 N 0.00 0.00 -0.15 1.06 -0.00 -0.85 -3.36 114.58 111.28 1qvx h GLU 950 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.40 1qvx h GLU 950 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.94 1qvx h GLU 950 CO -0.00 0.12 -0.07 -0.92 -0.00 0.00 0.00 179.01 178.14 1qvx h TYR 951 N 0.00 -0.16 -0.02 2.06 3.20 -0.48 0.72 116.97 122.28 1qvx h TYR 951 Ca -0.04 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 1qvx h TYR 951 Cb 1.19 0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.57 1qvx h TYR 951 CO 0.00 -0.11 -0.48 -0.24 -1.64 0.00 0.00 178.16 175.69 1qvx h VAL 952 N -0.05 1.44 -0.24 1.81 3.04 -1.73 -2.97 116.25 117.55 1qvx h VAL 952 Ca 0.08 -1.96 0.07 0.00 -1.01 0.00 0.00 66.70 63.88 1qvx h VAL 952 Cb 0.17 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1qvx h VAL 952 CO -0.19 0.57 0.22 -0.65 -1.01 0.00 0.00 177.57 176.51 1qvx h PRO 953 N -0.16 0.00 -0.05 4.17 0.11 -1.63 -1.67 132.00 132.77 1qvx h PRO 953 Ca -0.05 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 1qvx h PRO 953 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qvx h PRO 953 CO 0.10 0.00 -0.83 0.00 -0.21 0.00 0.00 178.00 177.05 1qvx h MET 954 N 0.00 0.43 0.00 1.05 -0.00 0.47 -2.14 114.93 114.74 1qvx h MET 954 Ca 0.12 -0.40 -0.03 0.00 -0.00 0.00 0.00 59.70 59.39 1qvx h MET 954 Cb 0.55 0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1qvx h MET 954 CO -0.00 1.05 -0.12 -0.24 -0.00 0.00 0.00 176.91 177.60 1qvx h VAL 955 N 0.27 0.84 -0.87 -0.10 3.04 -1.19 -1.61 116.25 116.63 1qvx h VAL 955 Ca -0.05 -0.45 0.08 0.00 -1.01 0.00 0.00 66.70 65.26 1qvx h VAL 955 Cb 1.44 1.26 -0.07 0.00 -2.01 0.00 0.00 31.29 31.91 1qvx h VAL 955 CO 0.14 0.12 0.52 0.50 -1.01 0.00 0.00 177.57 177.85 1qvx h LYS 956 N 0.00 0.88 -0.43 4.17 3.64 -0.66 0.14 116.57 124.31 1qvx h LYS 956 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1qvx h LYS 956 Cb 0.25 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1qvx h LYS 956 CO 0.02 0.58 0.23 0.93 -2.27 0.00 0.00 179.45 178.94 1qvx h GLU 957 N 0.91 0.45 0.00 1.90 4.39 -1.11 0.16 114.58 121.29 1qvx h GLU 957 Ca 0.40 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.95 1qvx h GLU 957 Cb 0.28 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1qvx h GLU 957 CO -0.21 0.30 -0.61 -0.39 -1.16 0.00 0.00 179.01 176.94 1qvx h VAL 958 N 0.47 1.28 -0.10 3.13 -1.51 -1.28 -1.80 116.25 116.43 1qvx h VAL 958 Ca 0.18 -2.19 -0.18 0.00 -1.23 0.00 0.00 66.70 63.28 1qvx h VAL 958 Cb 0.06 2.23 0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1qvx h VAL 958 CO -0.11 0.60 -0.63 1.23 -1.23 0.00 0.00 177.57 177.43 1qvx h GLY 959 N 2.26 0.67 1.34 5.19 0.00 -0.29 -1.48 103.07 110.76 1qvx h GLY 959 Ca -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 47.33 46.39 1qvx h GLY 959 CO 0.08 0.87 0.35 -2.00 0.00 0.00 0.00 176.54 175.84 1qvx h LEU 960 N 0.24 0.50 -0.22 3.11 5.85 -0.70 0.16 115.31 124.24 1qvx h LEU 960 Ca -0.05 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1qvx h LEU 960 Cb 1.27 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1qvx h LEU 960 CO 0.13 0.34 0.09 0.00 -0.34 0.00 0.00 178.44 178.66 1qvx h ALA 961 N 1.70 0.25 -0.31 1.25 0.00 -1.02 0.20 119.26 121.32 1qvx h ALA 961 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1qvx h ALA 961 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qvx h ALA 961 CO -0.06 -0.33 -0.32 1.25 0.00 0.00 0.00 179.25 179.79 1qvx h LEU 962 N 0.20 0.70 -0.16 0.00 5.85 -0.36 0.08 115.31 121.63 1qvx h LEU 962 Ca 0.09 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1qvx h LEU 962 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1qvx h LEU 962 CO -0.08 0.97 0.06 -0.09 -0.34 0.00 0.00 178.44 178.96 1qvx h ARG 963 N 0.57 0.25 -0.71 1.25 2.43 -0.42 0.47 114.38 118.23 1qvx h ARG 963 Ca 0.06 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1qvx h ARG 963 Cb 0.83 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 1qvx h ARG 963 CO 0.07 0.36 0.47 1.79 -1.51 0.00 0.00 179.97 181.14 1qvx h THR 964 N 0.09 0.97 -0.33 0.20 1.35 -0.58 -0.26 112.91 114.35 1qvx h THR 964 Ca 0.05 -0.23 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 1qvx h THR 964 Cb 0.21 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.86 1qvx h THR 964 CO -0.00 0.12 -0.03 0.25 -0.25 0.00 0.00 175.52 175.60 1qvx h LEU 965 N 0.66 0.49 -1.62 3.87 5.85 -0.06 -2.47 115.31 122.03 1qvx h LEU 965 Ca 0.32 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1qvx h LEU 965 Cb 0.39 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1qvx h LEU 965 CO -0.11 0.59 0.33 -0.07 -0.34 0.00 0.00 178.44 178.84 1qvx h LEU 966 N 0.50 0.41 -0.46 2.25 3.38 0.18 0.87 115.31 122.44 1qvx h LEU 966 Ca 0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1qvx h LEU 966 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1qvx h LEU 966 CO 0.02 0.28 0.06 0.00 0.09 0.00 0.00 178.44 178.88 1qvx h ALA 967 N 1.73 0.62 -0.65 1.53 0.00 -1.32 -1.80 119.26 119.36 1qvx h ALA 967 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 967 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1qvx h ALA 967 CO -0.05 0.36 0.42 1.15 0.00 0.00 0.00 179.25 181.12 1qvx h THR 968 N 0.64 1.18 -0.79 0.00 2.02 -0.80 -2.13 112.91 113.02 1qvx h THR 968 Ca 0.14 -0.34 0.12 0.00 0.77 0.00 0.00 66.41 67.09 1qvx h THR 968 Cb 0.41 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1qvx h THR 968 CO 0.01 0.17 0.52 0.58 0.37 0.00 0.00 175.52 177.17 1qvx h VAL 969 N 0.89 0.88 0.00 3.16 2.07 0.97 -0.09 116.25 124.13 1qvx h VAL 969 Ca 0.24 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1qvx h VAL 969 Cb -0.08 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1qvx h VAL 969 CO -0.05 0.11 -0.14 -0.78 0.02 0.00 0.00 177.57 176.74 1qvx h ASP 970 N 0.63 0.00 -0.08 0.57 3.58 -0.65 0.77 116.42 121.24 1qvx h ASP 970 Ca 0.38 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.79 1qvx h ASP 970 Cb 0.60 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1qvx h ASP 970 CO -0.15 0.14 -0.09 -0.33 -2.88 0.00 0.00 179.24 175.93 1qvx h GLU 971 N 0.00 0.20 0.00 0.28 4.39 -0.84 -3.19 114.58 115.41 1qvx h GLU 971 Ca -0.00 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1qvx h GLU 971 Cb 0.69 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1qvx h GLU 971 CO 0.02 0.64 -0.21 1.03 -1.16 0.00 0.00 179.01 179.33 1qvx h SER 972 N -0.23 0.00 0.11 1.42 0.87 -0.58 -3.23 113.55 111.91 1qvx h SER 972 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1qvx h SER 972 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1qvx h SER 972 CO 0.02 0.21 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.41 1qvx h LEU 973 N 0.00 -0.13 -2.04 2.23 3.38 0.54 0.42 115.31 119.72 1qvx h LEU 973 Ca -0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1qvx h LEU 973 Cb 0.56 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1qvx h LEU 973 CO 0.03 0.05 0.18 1.55 0.09 0.00 0.00 178.44 180.34 1qvx h PRO 974 N -0.31 0.00 0.00 1.13 0.13 -1.66 0.28 132.00 131.57 1qvx h PRO 974 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1qvx h PRO 974 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1qvx h PRO 974 CO 0.03 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.08 1qvx n VAL 975 N -4.38 0.42 0.24 1.56 0.31 -0.52 -3.18 118.33 112.78 1qvx n VAL 975 Ca 0.03 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1qvx n VAL 975 Cb 0.33 -0.69 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 1qvx n VAL 975 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1qvx h LEU 976 N 0.00 -0.52 -1.76 7.52 6.46 0.36 0.70 115.31 128.07 1qvx h LEU 976 Ca 0.00 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1qvx h LEU 976 Cb 0.47 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1qvx h LEU 976 CO 0.00 -0.19 0.10 -0.65 -0.62 0.00 0.00 178.44 177.08 1qvx h PRO 977 N -0.88 0.26 0.30 5.25 0.11 -1.62 -1.73 132.00 133.69 1qvx h PRO 977 Ca -0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1qvx h PRO 977 Cb 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1qvx h PRO 977 CO 0.10 0.20 -0.14 0.00 -0.21 0.00 0.00 178.00 177.95 1qvx h ALA 978 N 1.85 -0.40 0.00 -0.75 0.00 -1.47 -3.47 119.26 115.03 1qvx h ALA 978 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 978 Cb 0.02 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 978 CO -0.01 -0.70 0.00 0.43 0.00 0.00 0.00 179.25 178.97 1qvx n SER 979 N -5.24 0.00 0.25 0.00 7.64 0.17 -4.62 113.62 111.82 1qvx n SER 979 Ca -0.10 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.93 1qvx n SER 979 Cb 0.19 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.17 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qvx h THR 980 N 0.00 0.00 0.00 0.44 2.02 0.16 -3.22 112.91 112.32 1qvx h THR 980 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qvx h THR 980 Cb 0.00 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1qvx h THR 980 CO 0.00 0.00 0.54 1.12 0.37 0.00 0.00 175.52 177.55 1qvx h HIS 981 N 0.00 0.00 0.06 3.16 2.07 -1.51 0.11 115.15 119.04 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qvx h HIS 981 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 1qvx h HIS 981 CO 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 177.93 174.83 1qvx h ARG 982 N 0.00 -0.08 0.14 5.12 3.08 -1.86 -3.32 114.38 117.47 1qvx h ARG 982 Ca 0.00 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 1qvx h ARG 982 Cb 1.07 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.16 1qvx h ARG 982 CO 0.00 0.40 -0.85 0.93 -1.07 0.00 0.00 179.97 179.38 1qvx h GLU 983 N -0.96 0.32 -0.39 0.04 3.07 -1.28 -2.91 114.58 112.47 1qvx h GLU 983 Ca -0.01 -0.54 0.02 0.00 -0.50 0.00 0.00 59.36 58.33 1qvx h GLU 983 Cb 0.51 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 1qvx h GLU 983 CO 0.01 1.25 0.26 0.97 -1.40 0.00 0.00 179.01 180.11 1qvx h ILE 984 N -0.33 1.05 -0.14 3.13 -0.00 -1.10 0.36 117.51 120.49 1qvx h ILE 984 Ca -0.15 -0.15 -0.18 0.00 -0.00 0.00 0.00 64.86 64.39 1qvx h ILE 984 Cb 1.67 0.57 -0.00 0.00 -0.00 0.00 0.00 36.82 39.05 1qvx h ILE 984 CO 0.16 0.08 -0.65 -0.33 -0.00 0.00 0.00 178.15 177.41 1qvx h GLU 985 N 0.44 0.51 0.40 2.19 4.39 -1.66 -1.89 114.58 118.96 1qvx h GLU 985 Ca 0.15 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1qvx h GLU 985 Cb 0.07 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1qvx h GLU 985 CO -0.04 0.99 -0.19 0.00 -1.16 0.00 0.00 179.01 178.61 1qvx h MET 986 N 0.37 -0.52 0.24 2.33 -0.00 -0.15 -3.10 114.93 114.10 1qvx h MET 986 Ca -0.01 0.04 -0.34 0.00 -0.00 0.00 0.00 59.70 59.38 1qvx h MET 986 Cb 1.21 0.12 0.03 0.00 -0.00 0.00 0.00 31.60 32.96 1qvx h MET 986 CO 0.12 -0.21 -1.57 0.00 -0.00 0.00 0.00 176.91 175.25 1qvx h ALA 987 N -0.53 -0.07 -0.48 -3.00 0.00 -1.22 -2.77 119.26 111.19 1qvx h ALA 987 Ca -0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 54.91 53.79 1qvx h ALA 987 Cb 0.55 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1qvx h ALA 987 CO 0.09 0.79 -0.16 0.37 0.00 0.00 0.00 179.25 180.34 1qvx h GLN 988 N 0.14 0.93 0.00 0.00 -0.00 -1.49 1.01 115.11 115.70 1qvx h GLN 988 Ca -0.29 -0.36 -0.06 0.00 -0.00 0.00 0.00 58.65 57.94 1qvx h GLN 988 Cb 2.15 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 29.57 1qvx h GLN 988 CO 0.25 1.02 -0.29 0.87 0.00 0.00 0.00 178.83 180.68 1qvx h LYS 989 N 0.82 0.00 -0.18 1.69 1.79 -1.67 -2.45 116.57 116.58 1qvx h LYS 989 Ca 0.12 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.40 1qvx h LYS 989 Cb 0.71 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1qvx h LYS 989 CO 0.05 0.29 -0.63 1.25 -1.08 0.00 0.00 179.45 179.33 1qvx h LEU 990 N 0.00 0.86 -0.00 2.94 5.85 -0.85 -3.00 115.31 121.12 1qvx h LEU 990 Ca -0.00 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.12 1qvx h LEU 990 Cb 0.85 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1qvx h LEU 990 CO 0.04 1.32 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.35 1qvx h LEU 991 N 0.45 -0.11 -1.12 2.25 3.38 0.13 -1.68 115.31 118.61 1qvx h LEU 991 Ca -0.03 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1qvx h LEU 991 Cb 1.26 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1qvx h LEU 991 CO 0.13 -0.06 0.60 -1.13 0.09 0.00 0.00 178.44 178.08 1qvx h ASN 992 N -0.07 0.86 -0.42 -0.43 -0.73 -1.51 0.65 115.58 113.94 1qvx h ASN 992 Ca 0.02 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.10 1qvx h ASN 992 Cb 0.09 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 1qvx h ASN 992 CO -0.04 0.49 -0.17 0.28 -0.37 0.00 0.00 177.43 177.62 1qvx h SER 993 N 0.94 0.92 0.00 1.15 0.02 -1.18 -3.02 113.55 112.38 1qvx h SER 993 Ca 0.45 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1qvx h SER 993 Cb 0.44 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1qvx h SER 993 CO -0.21 1.07 -1.47 0.47 -1.14 0.00 0.00 176.83 175.56 1qvx n ASP 994 N -4.13 3.33 0.00 3.07 9.92 -0.75 -2.45 116.55 125.55 1qvx n ASP 994 Ca 0.01 -0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.17 1qvx n ASP 994 Cb 0.42 0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 41.52 1qvx n ASP 994 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1qvx h LEU 995 N 0.00 -0.32 -0.55 0.64 -0.00 0.11 0.76 115.31 115.94 1qvx h LEU 995 Ca -0.18 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1qvx h LEU 995 Cb 1.42 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 42.21 1qvx h LEU 995 CO 0.01 -0.14 0.34 0.00 -0.00 0.00 0.00 178.44 178.65 1qvx h ALA 996 N 0.95 0.70 -0.83 1.53 0.00 -1.60 -2.44 119.26 117.57 1qvx h ALA 996 Ca 0.08 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1qvx h ALA 996 Cb 0.24 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1qvx h ALA 996 CO -0.18 0.17 0.41 1.49 0.00 0.00 0.00 179.25 181.13 1qvx h GLU 997 N 0.74 0.56 -0.10 0.00 4.57 -1.09 -1.49 114.58 117.78 1qvx h GLU 997 Ca 0.20 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.21 1qvx h GLU 997 Cb -0.03 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1qvx h GLU 997 CO -0.04 0.37 -0.54 -0.07 -1.18 0.00 0.00 179.01 177.56 1qvx h LEU 998 N 0.58 0.31 -2.29 1.64 -0.00 -0.47 -0.92 115.31 114.15 1qvx h LEU 998 Ca 0.45 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1qvx h LEU 998 Cb 0.66 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1qvx h LEU 998 CO -0.37 0.79 -0.05 0.16 -0.00 0.00 0.00 178.44 178.97 1qvx h ILE 999 N 0.22 0.39 0.00 1.22 3.07 -0.82 0.20 117.51 121.79 1qvx h ILE 999 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1qvx h ILE 999 Cb 1.01 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 1qvx h ILE 999 CO 0.09 0.05 -0.75 0.59 -1.05 0.00 0.00 178.15 177.07 1qvx n ASN 1000N -3.55 0.72 0.10 2.16 3.02 -0.67 -2.41 115.26 114.63 1qvx n ASN 1000Ca -0.02 -0.57 -0.24 0.00 -0.03 0.00 0.00 54.58 53.72 1qvx n ASN 1000Cb 0.16 0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 39.78 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1qvx h LYS 1001N 0.00 0.45 -0.19 3.52 1.79 0.61 0.56 116.57 123.32 1qvx h LYS 1001Ca 0.00 -0.77 -0.10 0.00 -2.18 0.00 0.00 60.65 57.59 1qvx h LYS 1001Cb 0.52 0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1qvx h LYS 1001CO 0.00 1.37 -0.29 0.52 -1.08 0.00 0.00 179.45 179.97 1qvx h MET 1002N 0.11 0.53 -0.50 3.15 2.86 -1.18 0.20 114.93 120.10 1qvx h MET 1002Ca -0.31 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1qvx h MET 1002Cb 2.12 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.77 1qvx h MET 1002CO 0.21 0.92 0.27 -0.22 1.06 0.00 0.00 176.91 179.15 1qvx h LYS 1003N 0.19 0.50 0.03 1.72 3.64 -1.56 0.16 116.57 121.25 1qvx h LYS 1003Ca 0.02 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1qvx h LYS 1003Cb 0.87 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1qvx h LYS 1003CO 0.07 0.33 -0.22 1.25 -2.27 0.00 0.00 179.45 178.61 1qvx h LEU 1004N 0.52 -0.65 -0.82 5.20 5.85 0.32 0.87 115.31 126.60 1qvx h LEU 1004Ca 0.22 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1qvx h LEU 1004Cb 0.10 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1qvx h LEU 1004CO -0.14 -0.29 0.53 0.00 -0.34 0.00 0.00 178.44 178.20 1qvx h ALA 1005N 0.48 1.04 0.00 1.25 0.00 -0.20 0.27 119.26 122.11 1qvx h ALA 1005Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qvx h ALA 1005Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qvx h ALA 1005CO -0.18 0.47 0.00 -0.56 0.00 0.00 0.00 179.25 178.97 1qvx h GLN 1006N 1.12 0.00 0.00 0.00 -0.00 -0.54 -0.11 115.11 115.58 1qvx h GLN 1006Ca 0.30 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.71 1qvx h GLN 1006Cb -0.11 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.39 1qvx h GLN 1006CO -0.06 0.00 -0.94 0.37 -0.00 0.00 0.00 178.83 178.19 1qvx h GLN 1007N 0.00 0.64 0.21 0.06 5.75 0.28 -3.31 115.11 118.74 1qvx h GLN 1007Ca 0.00 -0.69 -0.01 0.00 -0.15 0.00 0.00 58.65 57.80 1qvx h GLN 1007Cb 0.72 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.47 1qvx h GLN 1007CO 0.00 1.28 -0.10 -0.92 -2.65 0.00 0.00 178.83 176.44 1qvx h TYR 1008N 0.27 -0.26 -5.39 3.99 3.20 -0.42 -3.49 116.97 114.88 1qvx h TYR 1008Ca -0.12 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.45 1qvx h TYR 1008Cb 1.61 0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.98 1qvx h TYR 1008CO 0.11 0.13 -0.86 1.55 -1.64 0.00 0.00 178.16 177.46 1qvx n VAL 1009N -4.99 -2.65 -3.90 1.81 3.14 -0.07 -4.98 118.33 106.70 1qvx n VAL 1009Ca -0.08 0.04 -0.21 0.00 -2.96 0.00 0.00 64.34 61.13 1qvx n VAL 1009Cb 0.26 -2.41 -0.17 0.00 -1.06 0.00 0.00 33.84 30.46 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1qvx s MET 1010N -2.08 0.61 0.27 1.45 0.00 -1.26 -4.97 119.30 113.32 1qvx s MET 1010Ca 0.24 0.05 -0.06 0.00 0.00 0.00 0.00 55.69 55.91 1qvx s MET 1010Cb -0.02 -0.85 0.49 0.00 0.00 0.00 0.00 34.83 34.45 1qvx s MET 1010CO 0.62 -0.21 1.50 -2.37 0.00 0.00 0.00 175.02 174.56 1qvx n THR 1011N 4.67 -0.40 -0.11 10.11 5.66 -1.26 0.37 114.28 133.31 1qvx n THR 1011Ca -0.15 2.18 -0.15 0.00 -3.05 0.00 0.00 64.05 62.89 1qvx n THR 1011Cb 0.50 -3.05 -0.14 0.00 -1.55 0.00 0.00 70.33 66.10 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1qvx n SER 1012N -5.54 1.13 -0.00 1.09 2.88 -1.26 -4.50 113.62 107.42 1qvx n SER 1012Ca 0.17 -0.07 0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1qvx n SER 1012Cb 0.52 0.18 0.44 0.00 -0.75 0.00 0.00 64.21 64.60 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qvx n LEU 1013N -3.05 0.26 0.17 2.46 7.99 -0.68 -3.45 117.00 120.71 1qvx n LEU 1013Ca -0.40 0.24 0.04 0.00 -0.01 0.00 0.00 56.01 55.88 1qvx n LEU 1013Cb 1.06 -0.37 0.45 0.00 -0.11 0.00 0.00 43.42 44.46 1qvx n LEU 1013CO 0.34 0.06 0.89 -0.61 -1.51 0.00 0.00 177.39 176.57 1qvx h GLN 1014N 0.02 0.11 -0.30 3.23 -0.00 -0.32 -2.75 115.11 115.11 1qvx h GLN 1014Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1qvx h GLN 1014Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 1qvx h GLN 1014CO 0.00 0.27 0.11 1.96 0.00 0.00 0.00 178.83 181.17 1qvx h GLN 1015N 0.10 0.43 -0.62 1.69 7.50 -1.79 0.16 115.11 122.57 1qvx h GLN 1015Ca 0.02 -0.05 0.13 0.00 0.50 0.00 0.00 58.65 59.25 1qvx h GLN 1015Cb 0.35 -0.08 -0.10 0.00 0.05 0.00 0.00 27.48 27.70 1qvx h GLN 1015CO 0.02 0.37 0.04 1.49 -1.50 0.00 0.00 178.83 179.25 1qvx h GLU 1016N 0.43 0.15 0.00 1.46 4.81 -1.73 0.68 114.58 120.38 1qvx h GLU 1016Ca 0.11 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1qvx h GLU 1016Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1qvx h GLU 1016CO -0.01 0.10 -0.17 1.88 -0.73 0.00 0.00 179.01 180.08 1qvx h TYR 1017N 0.15 0.00 -0.15 0.92 -1.99 -0.94 -2.29 116.97 112.67 1qvx h TYR 1017Ca 0.33 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.88 1qvx h TYR 1017Cb 0.53 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.27 1qvx h TYR 1017CO -0.34 0.17 -0.60 -0.22 -0.00 0.00 0.00 178.16 177.17 1qvx h LYS 1018N 0.00 0.67 0.00 4.88 3.64 0.75 -1.16 116.57 125.35 1qvx h LYS 1018Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1qvx h LYS 1018Cb 0.94 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1qvx h LYS 1018CO 0.02 1.14 0.00 -0.22 -2.27 0.00 0.00 179.45 178.12 1qvx h LYS 1019N 0.35 0.00 0.08 1.90 1.63 0.37 0.39 116.57 121.30 1qvx h LYS 1019Ca -0.03 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.49 1qvx h LYS 1019Cb 1.24 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.89 1qvx h LYS 1019CO 0.13 0.00 -1.12 1.96 -3.45 0.00 0.00 179.45 176.96 1qvx h GLN 1020N 0.00 0.62 -0.55 1.90 4.20 -1.20 -2.96 115.11 117.11 1qvx h GLN 1020Ca 0.00 -0.77 -0.09 0.00 0.06 0.00 0.00 58.65 57.84 1qvx h GLN 1020Cb 0.60 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1qvx h GLN 1020CO 0.00 1.34 -0.02 1.98 -0.67 0.00 0.00 178.83 181.46 1qvx h MET 1021N 0.25 0.97 -0.17 1.46 4.05 -0.77 -1.96 114.93 118.76 1qvx h MET 1021Ca -0.16 -0.30 0.04 0.00 -0.28 0.00 0.00 59.70 59.00 1qvx h MET 1021Cb 1.80 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 32.47 1qvx h MET 1021CO 0.22 0.96 -0.09 1.25 0.23 0.00 0.00 176.91 179.48 1qvx h LEU 1022N 0.89 -0.31 -0.91 3.39 6.46 -0.92 0.79 115.31 124.70 1qvx h LEU 1022Ca 0.16 0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1qvx h LEU 1022Cb 0.54 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1qvx h LEU 1022CO 0.03 -0.13 -0.28 0.74 -0.62 0.00 0.00 178.44 178.19 1qvx h THR 1023N -0.08 1.27 -0.07 1.05 2.02 -1.50 -2.99 112.91 112.59 1qvx h THR 1023Ca 0.10 -1.31 -0.22 0.00 0.77 0.00 0.00 66.41 65.75 1qvx h THR 1023Cb 0.23 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1qvx h THR 1023CO -0.22 0.42 -0.84 0.00 0.37 0.00 0.00 175.52 175.24 1qvx h ALA 1024N 1.29 0.38 -0.12 6.16 0.00 -0.48 -2.96 119.26 123.52 1qvx h ALA 1024Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1qvx h ALA 1024Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qvx h ALA 1024CO 0.05 0.74 -0.25 0.00 0.00 0.00 0.00 179.25 179.79 1qvx h ALA 1025N 0.69 1.35 -0.15 0.00 0.00 0.62 -0.57 119.26 121.20 1qvx h ALA 1025Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1qvx h ALA 1025Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1qvx h ALA 1025CO 0.16 0.45 -0.26 1.25 0.00 0.00 0.00 179.25 180.84 1qvx h HIS 1026N 0.20 0.29 0.06 0.00 6.17 -1.44 0.52 115.15 120.96 1qvx h HIS 1026Ca 0.03 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.05 1qvx h HIS 1026Cb 0.56 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1qvx h HIS 1026CO 0.01 0.51 -0.03 0.00 0.71 0.00 0.00 177.93 179.13 1qvx h ALA 1027N 1.49 -0.08 -0.04 5.26 0.00 -0.99 -2.31 119.26 122.59 1qvx h ALA 1027Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 1027Cb 0.60 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qvx h ALA 1027CO 0.04 -0.36 -0.35 1.25 0.00 0.00 0.00 179.25 179.83 1qvx h LEU 1028N -0.45 0.07 -0.89 0.00 6.46 -1.13 -0.17 115.31 119.21 1qvx h LEU 1028Ca -0.01 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1qvx h LEU 1028Cb 0.40 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.24 1qvx h LEU 1028CO 0.01 0.43 0.55 0.00 -0.62 0.00 0.00 178.44 178.81 1qvx h ALA 1029N 1.58 1.25 -0.07 1.25 0.00 -0.86 -1.58 119.26 120.83 1qvx h ALA 1029Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1029Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 1029CO 0.05 0.26 -0.30 0.28 0.00 0.00 0.00 179.25 179.54 1qvx h VAL 1030N 0.97 1.24 -0.29 0.00 2.07 -0.46 -0.53 116.25 119.26 1qvx h VAL 1030Ca 0.40 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1qvx h VAL 1030Cb 0.24 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1qvx h VAL 1030CO -0.20 0.34 0.16 0.44 0.02 0.00 0.00 177.57 178.33 1qvx h ASP 1031N 0.11 0.25 -0.30 0.57 5.19 -0.59 0.67 116.42 122.31 1qvx h ASP 1031Ca 0.01 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1qvx h ASP 1031Cb 0.59 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1qvx h ASP 1031CO 0.04 0.18 0.11 0.00 -3.12 0.00 0.00 179.24 176.46 1qvx h ALA 1032N 1.14 0.39 -0.53 3.45 0.00 -1.06 -2.33 119.26 120.32 1qvx h ALA 1032Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1032Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1qvx h ALA 1032CO -0.06 0.01 0.15 0.87 0.00 0.00 0.00 179.25 180.22 1qvx h LYS 1033N 0.34 0.80 -0.44 0.00 1.79 -0.68 -1.32 116.57 117.05 1qvx h LYS 1033Ca 0.10 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 1qvx h LYS 1033Cb 0.21 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1qvx h LYS 1033CO -0.01 0.70 -0.28 -0.97 -1.08 0.00 0.00 179.45 177.82 1qvx h ASN 1034N 0.77 1.00 1.68 0.86 -1.24 0.47 -3.00 115.58 116.12 1qvx h ASN 1034Ca 0.18 -0.40 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 1qvx h ASN 1034Cb 0.25 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1qvx h ASN 1034CO -0.01 1.20 -0.21 0.25 -1.29 0.00 0.00 177.43 177.37 1qvx h LEU 1035N 0.81 0.00 -1.09 0.34 5.85 -1.10 -1.72 115.31 118.39 1qvx h LEU 1035Ca 0.09 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1qvx h LEU 1035Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1qvx h LEU 1035CO 0.08 0.21 -0.36 0.17 -0.34 0.00 0.00 178.44 178.19 1qvx h LEU 1036N 0.00 0.17 -0.33 2.25 8.10 -1.11 0.57 115.31 124.95 1qvx h LEU 1036Ca -0.00 -0.06 -0.19 0.00 0.11 0.00 0.00 57.88 57.74 1qvx h LEU 1036Cb 1.11 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 1qvx h LEU 1036CO 0.03 0.52 -0.84 -0.78 -4.11 0.00 0.00 178.44 173.26 1qvx h ASP 1037N 0.14 0.17 0.22 0.17 3.58 -1.44 -2.74 116.42 116.53 1qvx h ASP 1037Ca 0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1qvx h ASP 1037Cb 0.71 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1qvx h ASP 1037CO 0.05 0.93 -0.11 0.58 -2.88 0.00 0.00 179.24 177.82 1qvx h VAL 1038N 0.08 0.00 0.06 2.25 2.07 -0.14 -2.83 116.25 117.72 1qvx h VAL 1038Ca -0.03 -0.05 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 1qvx h VAL 1038Cb 1.46 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1qvx h VAL 1038CO 0.12 0.00 -1.17 0.16 0.02 0.00 0.00 177.57 176.70 1qvx h ILE 1039N -0.35 1.54 -0.56 4.57 3.07 -0.10 0.53 117.51 126.21 1qvx h ILE 1039Ca -0.03 -3.20 0.07 0.00 1.55 0.00 0.00 64.86 63.25 1qvx h ILE 1039Cb 0.23 2.85 -0.06 0.00 -0.27 0.00 0.00 36.82 39.56 1qvx h ILE 1039CO 0.05 0.91 0.22 -0.78 -1.05 0.00 0.00 178.15 177.50 1qvx h ASP 1040N 0.03 0.25 0.45 2.16 3.58 -1.63 -0.54 116.42 120.72 1qvx h ASP 1040Ca -0.09 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 1qvx h ASP 1040Cb 1.88 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 1qvx h ASP 1040CO 0.16 0.17 -0.34 1.56 -2.88 0.00 0.00 179.24 177.90 1qvx h GLN 1041N 0.42 0.00 -0.15 0.28 7.50 -1.20 -2.89 115.11 119.07 1qvx h GLN 1041Ca 0.27 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.47 1qvx h GLN 1041Cb 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.75 1qvx h GLN 1041CO -0.25 0.34 -0.23 0.00 -1.50 0.00 0.00 178.83 177.19 1qvx h ALA 1042N 1.66 -0.18 -0.86 3.87 0.00 0.17 1.64 119.26 125.55 1qvx h ALA 1042Ca -0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1qvx h ALA 1042Cb 0.65 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1qvx h ALA 1042CO 0.04 -0.68 0.56 -0.09 0.00 0.00 0.00 179.25 179.08 1qvx h ARG 1043N -0.28 0.62 0.00 0.00 9.65 -1.17 0.30 114.38 123.51 1qvx h ARG 1043Ca 0.11 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 1qvx h ARG 1043Cb 0.44 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1qvx h ARG 1043CO -0.31 0.41 -0.44 1.25 2.80 0.00 0.00 179.97 183.68 1qvx h LEU 1044N 0.64 0.00 -2.40 3.80 5.85 -0.98 -2.54 115.31 119.68 1qvx h LEU 1044Ca 0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 1qvx h LEU 1044Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1qvx h LEU 1044CO -0.19 0.44 -0.02 0.11 -0.34 0.00 0.00 178.44 178.44 1qvx h LYS 1045N 0.00 0.00 -0.04 1.25 1.79 0.60 0.74 116.57 120.91 1qvx h LYS 1045Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1qvx h LYS 1045Cb 1.18 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1qvx h LYS 1045CO 0.06 0.02 -0.57 1.98 -1.08 0.00 0.00 179.45 179.86 1qvx h MET 1046N 0.00 0.46 -0.78 3.15 4.05 -0.72 0.20 114.93 121.29 1qvx h MET 1046Ca -0.00 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1qvx h MET 1046Cb 0.18 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 1qvx h MET 1046CO 0.00 1.09 0.45 0.82 0.23 0.00 0.00 176.91 179.49 1qvx h ILE 1047N -0.01 1.23 0.00 1.77 5.03 -1.16 -1.88 117.51 122.50 1qvx h ILE 1047Ca -0.06 -0.54 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 1qvx h ILE 1047Cb 1.25 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1qvx h ILE 1047CO 0.11 0.25 0.00 -1.20 -0.68 0.00 0.00 178.15 176.63 1qvx n SER 1048N -4.45 0.39 0.01 1.72 7.64 0.24 -2.88 113.62 116.29 1qvx n SER 1048Ca 0.07 0.60 -0.00 0.00 1.01 0.00 0.00 58.87 60.55 1qvx n SER 1048Cb 0.08 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1qvx n SER 1048CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1qvx h GLN 1049N 0.00 -0.03 0.00 1.43 -0.00 0.26 -3.47 115.11 113.29 1qvx h GLN 1049Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1qvx h GLN 1049Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1qvx h GLN 1049CO 0.00 -0.02 -0.05 0.45 0.00 0.00 0.00 178.83 179.21 1qvx n SER 1050N -2.19 -0.17 -3.44 -0.69 2.88 -1.18 -5.09 113.62 103.74 1qvx n SER 1050Ca -0.00 -0.36 -0.21 0.00 -1.33 0.00 0.00 58.87 56.97 1qvx n SER 1050Cb 0.01 0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.42 1qvx n SER 1050CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qvx s ARG 1051N 0.00 0.35 0.42 -1.46 3.52 -1.14 -4.98 118.95 115.66 1qvx s ARG 1051Ca 0.00 -0.43 0.20 0.00 -0.13 0.00 0.00 55.73 55.37 1qvx s ARG 1051Cb 0.00 -0.84 0.95 0.00 -1.56 0.00 0.00 34.95 33.49 1qvx s ARG 1051CO 0.00 -1.06 1.88 -1.35 -0.81 0.00 0.00 175.30 173.95 1qvx h PRO 1052N 8.05 0.00 0.00 5.12 0.11 -1.88 -3.28 132.00 140.11 1qvx h PRO 1052Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1qvx h PRO 1052Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1qvx h PRO 1052CO 0.34 0.28 0.00 1.58 -0.21 0.00 0.00 178.00 179.99