#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 -2.27 -3.56 6.15 2.88 -1.26 -4.52 113.62 111.05 1qvx n SER 921 Ca 0.00 0.02 -0.17 0.00 -1.33 0.00 0.00 58.87 57.39 1qvx n SER 921 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 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 1.40 -5.81 -3.27 -3.46 4.13 -1.26 -4.94 115.26 102.05 1qvx n ASN 922 Ca -0.04 -0.68 -0.05 0.00 1.68 0.00 0.00 54.58 55.49 1qvx n ASN 922 Cb 0.40 -2.88 0.05 0.00 -1.54 0.00 0.00 39.78 35.81 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 -2.35 -1.71 0.01 6.41 2.03 -1.26 -3.56 116.55 116.12 1qvx n ASP 923 Ca -0.21 -0.15 0.16 0.00 0.52 0.00 0.00 54.79 55.11 1qvx n ASP 923 Cb 0.63 -0.33 0.26 0.00 -0.72 0.00 0.00 41.12 40.96 1qvx n ASP 923 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1qvx h LYS 924 N 0.00 0.00 -0.16 -0.67 3.11 -1.98 0.63 116.57 117.50 1qvx h LYS 924 Ca -0.07 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1qvx h LYS 924 Cb 0.23 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.42 1qvx h LYS 924 CO 0.04 0.00 -0.06 -0.39 -2.81 0.00 0.00 179.45 176.23 1qvx h VAL 925 N 0.00 0.80 0.00 2.00 -1.51 -1.88 -0.04 116.25 115.62 1qvx h VAL 925 Ca 0.29 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.60 1qvx h VAL 925 Cb 2.54 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 32.47 1qvx h VAL 925 CO -0.00 0.00 -0.74 0.22 -1.23 0.00 0.00 177.57 175.82 1qvx h TYR 926 N -0.03 0.00 0.37 5.19 3.20 0.23 -2.87 116.97 123.06 1qvx h TYR 926 Ca 0.08 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1qvx h TYR 926 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1qvx h TYR 926 CO -0.21 0.74 -0.18 1.49 -1.64 0.00 0.00 178.16 178.36 1qvx h GLU 927 N 0.00 -0.48 -0.34 1.82 4.22 -1.44 -2.24 114.58 116.12 1qvx h GLU 927 Ca -0.01 0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.31 1qvx h GLU 927 Cb 1.32 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1qvx h GLU 927 CO 0.10 -0.16 -0.40 -0.97 -2.18 0.00 0.00 179.01 175.39 1qvx h ASN 928 N -0.91 0.89 -0.39 1.04 -0.00 -1.09 -0.87 115.58 114.24 1qvx h ASN 928 Ca -0.05 -0.41 -0.00 0.00 -0.00 0.00 0.00 56.30 55.84 1qvx h ASN 928 Cb 0.54 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.59 1qvx h ASN 928 CO 0.08 1.17 0.25 1.62 -0.00 0.00 0.00 177.43 180.55 1qvx h VAL 929 N 0.67 1.12 -0.24 2.57 3.04 -1.59 0.16 116.25 121.98 1qvx h VAL 929 Ca 0.05 -0.25 -0.13 0.00 -1.01 0.00 0.00 66.70 65.36 1qvx h VAL 929 Cb 0.97 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1qvx h VAL 929 CO 0.09 0.12 -0.37 0.74 -1.01 0.00 0.00 177.57 177.14 1qvx h THR 930 N 0.56 1.29 -0.12 3.17 2.02 -0.94 -2.36 112.91 116.53 1qvx h THR 930 Ca 0.15 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.85 1qvx h THR 930 Cb -0.02 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1qvx h THR 930 CO -0.03 0.48 0.10 1.23 0.37 0.00 0.00 175.52 177.67 1qvx h GLY 931 N 1.05 0.00 0.80 2.16 0.00 0.67 0.11 103.07 107.86 1qvx h GLY 931 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1qvx h GLY 931 CO 0.07 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.59 1qvx h LEU 932 N 0.00 0.34 -1.02 3.11 6.46 -0.52 0.64 115.31 124.31 1qvx h LEU 932 Ca 0.06 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1qvx h LEU 932 Cb 0.26 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1qvx h LEU 932 CO -0.00 0.60 0.66 0.58 -0.62 0.00 0.00 178.44 179.65 1qvx h VAL 933 N 0.07 1.23 0.00 1.05 2.07 -1.08 0.77 116.25 120.37 1qvx h VAL 933 Ca 0.05 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1qvx h VAL 933 Cb 0.44 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1qvx h VAL 933 CO 0.01 0.24 0.00 0.11 0.02 0.00 0.00 177.57 177.95 1qvx h LYS 934 N 1.32 0.00 0.00 1.57 1.79 -0.63 -0.50 116.57 120.12 1qvx h LYS 934 Ca 0.37 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.72 1qvx h LYS 934 Cb -0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1qvx h LYS 934 CO -0.09 0.00 -0.75 0.00 -1.08 0.00 0.00 179.45 177.52 1qvx h ALA 935 N 2.05 0.65 0.00 3.86 0.00 0.14 -0.52 119.26 125.44 1qvx h ALA 935 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1qvx h ALA 935 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qvx h ALA 935 CO 0.00 0.71 -0.32 1.55 0.00 0.00 0.00 179.25 181.19 1qvx n VAL 936 N -3.14 0.01 0.07 0.00 3.14 -0.33 -1.44 118.33 116.64 1qvx n VAL 936 Ca -0.01 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1qvx n VAL 936 Cb 0.77 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 33.46 1qvx n VAL 936 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 1qvx h ILE 937 N 0.00 1.03 -0.95 1.55 3.07 -0.98 -2.80 117.51 118.42 1qvx h ILE 937 Ca 0.00 -2.58 0.06 0.00 1.55 0.00 0.00 64.86 63.89 1qvx h ILE 937 Cb 0.50 2.46 -0.06 0.00 -0.27 0.00 0.00 36.82 39.45 1qvx h ILE 937 CO 0.00 0.59 0.62 -0.33 -1.05 0.00 0.00 178.15 177.98 1qvx h GLU 938 N 0.00 1.09 -0.53 0.16 5.08 -0.83 -1.01 114.58 118.54 1qvx h GLU 938 Ca -0.08 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1qvx h GLU 938 Cb 1.62 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1qvx h GLU 938 CO 0.08 0.72 0.27 1.98 -1.00 0.00 0.00 179.01 181.06 1qvx h MET 939 N 1.12 0.50 -0.00 2.33 4.05 -1.07 0.77 114.93 122.64 1qvx h MET 939 Ca 0.40 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.71 1qvx h MET 939 Cb 0.15 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1qvx h MET 939 CO -0.15 0.33 -0.38 0.77 0.23 0.00 0.00 176.91 177.71 1qvx h SER 940 N 0.51 0.01 0.08 1.39 0.02 -1.17 -1.91 113.55 112.48 1qvx h SER 940 Ca 0.23 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1qvx h SER 940 Cb 0.15 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1qvx h SER 940 CO -0.16 0.39 -0.48 0.28 -1.14 0.00 0.00 176.83 175.71 1qvx h SER 941 N 0.01 0.29 -0.53 3.07 0.02 0.13 -3.14 113.55 113.40 1qvx h SER 941 Ca -0.00 -0.96 0.05 0.00 -0.84 0.00 0.00 61.79 60.04 1qvx h SER 941 Cb 0.68 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1qvx h SER 941 CO 0.05 1.22 0.26 0.50 -1.14 0.00 0.00 176.83 177.72 1qvx h LYS 942 N -0.60 0.49 -0.02 3.45 3.11 0.56 -2.17 116.57 121.39 1qvx h LYS 942 Ca -0.08 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.65 1qvx h LYS 942 Cb 1.37 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1qvx h LYS 942 CO 0.09 0.33 -0.38 0.97 -2.81 0.00 0.00 179.45 177.65 1qvx h ILE 943 N 0.51 1.28 0.02 2.00 2.10 -1.44 -3.03 117.51 118.94 1qvx h ILE 943 Ca 0.24 -1.32 0.02 0.00 1.08 0.00 0.00 64.86 64.88 1qvx h ILE 943 Cb 0.16 1.69 -0.05 0.00 -1.09 0.00 0.00 36.82 37.52 1qvx h ILE 943 CO -0.17 0.38 -0.54 1.56 -1.08 0.00 0.00 178.15 178.30 1qvx h GLN 944 N 0.03 -0.67 -1.06 2.19 4.20 -1.33 -2.10 115.11 116.37 1qvx h GLN 944 Ca 0.00 0.05 -0.52 0.00 0.06 0.00 0.00 58.65 58.24 1qvx h GLN 944 Cb 0.68 0.15 -0.26 0.00 0.30 0.00 0.00 27.48 28.35 1qvx h GLN 944 CO 0.05 -0.44 0.66 -0.35 -0.67 0.00 0.00 178.83 178.08 1qvx n PRO 945 N -5.46 2.27 -5.16 1.46 -0.04 -1.22 -4.96 135.00 121.88 1qvx n PRO 945 Ca -0.08 -2.73 -0.30 0.00 -0.04 0.00 0.00 63.50 60.35 1qvx n PRO 945 Cb 0.40 -2.07 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvx s ALA 946 N -3.09 2.14 0.81 0.55 0.00 -0.79 -5.07 121.76 116.31 1qvx s ALA 946 Ca 0.53 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1qvx s ALA 946 Cb 0.43 -0.51 0.16 0.00 0.00 0.00 0.00 23.12 23.20 1qvx s ALA 946 CO 0.05 0.52 1.05 -0.35 0.00 0.00 0.00 175.76 177.03 1qvx n PRO 947 N 2.24 -0.43 -0.23 0.00 -0.04 -1.26 -4.88 135.00 130.41 1qvx n PRO 947 Ca -0.16 -2.42 0.25 0.00 -0.04 0.00 0.00 63.50 61.13 1qvx n PRO 947 Cb 0.51 -0.84 0.63 0.00 -0.04 0.00 0.00 33.50 33.77 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1qvx h PRO 948 N 0.00 0.17 -0.73 0.54 0.13 -1.98 0.33 132.00 130.46 1qvx h PRO 948 Ca -0.35 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1qvx h PRO 948 Cb 1.16 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1qvx h PRO 948 CO 0.33 0.11 0.37 0.93 -0.23 0.00 0.00 178.00 179.51 1qvx h GLU 949 N 0.18 0.61 -0.12 0.86 5.08 -1.93 0.38 114.58 119.63 1qvx h GLU 949 Ca 0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1qvx h GLU 949 Cb 1.55 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1qvx h GLU 949 CO -0.10 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 178.71 1qvx n GLU 950 N -4.85 2.10 -0.03 2.33 4.71 -0.03 -4.12 120.64 120.74 1qvx n GLU 950 Ca 0.12 -1.62 -0.11 0.00 -0.01 0.00 0.00 57.16 55.54 1qvx n GLU 950 Cb 0.28 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.20 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1qvx h TYR 951 N 3.65 0.22 -0.01 -0.32 -1.99 0.49 0.48 116.97 119.50 1qvx h TYR 951 Ca 0.00 -0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 1qvx h TYR 951 Cb 0.79 -0.07 0.02 0.00 2.00 0.00 0.00 36.73 39.46 1qvx h TYR 951 CO 0.07 0.19 -0.75 -0.24 -0.00 0.00 0.00 178.16 177.43 1qvx h VAL 952 N 0.19 1.37 -0.75 -2.88 3.04 -1.73 -3.09 116.25 112.40 1qvx h VAL 952 Ca 0.06 -2.12 0.21 0.00 -1.01 0.00 0.00 66.70 63.84 1qvx h VAL 952 Cb 0.03 2.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.77 1qvx h VAL 952 CO -0.01 0.63 0.53 -0.65 -1.01 0.00 0.00 177.57 177.07 1qvx h PRO 953 N 0.09 0.06 0.20 4.17 0.11 -1.70 0.11 132.00 135.03 1qvx h PRO 953 Ca -0.09 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1qvx h PRO 953 Cb 1.44 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 1qvx h PRO 953 CO 0.15 0.04 -0.23 1.98 -0.21 0.00 0.00 178.00 179.72 1qvx h MET 954 N 0.06 -0.46 0.00 1.05 1.85 0.05 -0.51 114.93 116.98 1qvx h MET 954 Ca 0.36 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.48 1qvx h MET 954 Cb 1.35 0.10 -0.00 0.00 0.43 0.00 0.00 31.60 33.48 1qvx h MET 954 CO -0.03 -0.31 -0.03 0.28 -0.40 0.00 0.00 176.91 176.43 1qvx h VAL 955 N -0.48 0.84 -0.85 -5.77 2.07 -1.15 -1.66 116.25 109.25 1qvx h VAL 955 Ca 0.01 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1qvx h VAL 955 Cb 0.46 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1qvx h VAL 955 CO -0.07 0.03 0.56 0.50 0.02 0.00 0.00 177.57 178.60 1qvx h LYS 956 N 0.00 1.07 -0.43 1.57 3.64 0.71 0.49 116.57 123.62 1qvx h LYS 956 Ca -0.00 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1qvx h LYS 956 Cb 0.05 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1qvx h LYS 956 CO 0.00 0.71 0.26 0.93 -2.27 0.00 0.00 179.45 179.08 1qvx h GLU 957 N 1.10 0.51 0.00 1.90 5.08 -0.29 0.21 114.58 123.09 1qvx h GLU 957 Ca 0.32 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1qvx h GLU 957 Cb -0.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1qvx h GLU 957 CO -0.08 0.34 -0.16 -0.24 -1.00 0.00 0.00 179.01 177.86 1qvx h VAL 958 N 0.52 0.32 -0.16 3.13 3.04 -1.32 -2.68 116.25 119.11 1qvx h VAL 958 Ca 0.17 -1.14 -0.12 0.00 -1.01 0.00 0.00 66.70 64.60 1qvx h VAL 958 Cb -0.00 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1qvx h VAL 958 CO -0.07 0.15 -0.38 1.23 -1.01 0.00 0.00 177.57 177.49 1qvx h GLY 959 N 2.86 0.59 2.00 3.17 0.00 0.78 -2.57 103.07 109.91 1qvx h GLY 959 Ca -0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1qvx h GLY 959 CO 0.02 0.65 -0.01 1.41 0.00 0.00 0.00 176.54 178.60 1qvx h LEU 960 N 0.17 0.00 0.57 3.11 3.38 -0.61 -1.68 115.31 120.25 1qvx h LEU 960 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1qvx h LEU 960 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1qvx h LEU 960 CO 0.08 0.01 -0.27 0.00 0.09 0.00 0.00 178.44 178.36 1qvx h ALA 961 N 1.99 -0.76 -0.37 1.53 0.00 -1.10 0.26 119.26 120.81 1qvx h ALA 961 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 961 Cb 0.05 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qvx h ALA 961 CO 0.00 -0.92 -0.01 1.25 0.00 0.00 0.00 179.25 179.58 1qvx h LEU 962 N -0.78 0.55 0.35 0.00 5.85 -1.29 0.49 115.31 120.48 1qvx h LEU 962 Ca -0.08 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1qvx h LEU 962 Cb 0.59 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 962 CO 0.13 0.63 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.35 1qvx h ARG 963 N 0.55 -0.77 -0.87 1.25 9.65 -1.13 0.63 114.38 123.69 1qvx h ARG 963 Ca 0.12 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 1qvx h ARG 963 Cb 0.37 0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 29.07 1qvx h ARG 963 CO 0.01 -0.51 0.57 1.15 2.80 0.00 0.00 179.97 183.99 1qvx h THR 964 N -0.80 1.05 0.00 0.20 2.02 -0.20 -0.05 112.91 115.13 1qvx h THR 964 Ca -0.02 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 1qvx h THR 964 Cb 0.73 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1qvx h THR 964 CO -0.10 0.18 -0.19 0.25 0.37 0.00 0.00 175.52 176.03 1qvx h LEU 965 N 0.97 0.00 -1.48 2.58 5.85 0.52 -1.91 115.31 121.84 1qvx h LEU 965 Ca 0.38 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1qvx h LEU 965 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1qvx h LEU 965 CO -0.14 0.19 0.06 0.25 -0.34 0.00 0.00 178.44 178.45 1qvx h LEU 966 N 0.00 0.36 -0.89 2.25 5.85 0.22 0.59 115.31 123.70 1qvx h LEU 966 Ca -0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 966 Cb 0.38 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1qvx h LEU 966 CO 0.02 0.38 0.40 0.00 -0.34 0.00 0.00 178.44 178.90 1qvx h ALA 967 N 1.68 1.13 -0.42 1.25 0.00 -1.26 -0.91 119.26 120.73 1qvx h ALA 967 Ca 0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 967 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qvx h ALA 967 CO -0.00 0.66 -0.20 1.15 0.00 0.00 0.00 179.25 180.86 1qvx h THR 968 N 1.19 1.27 -0.41 0.00 2.02 -0.89 -2.23 112.91 113.85 1qvx h THR 968 Ca 0.29 -1.31 0.10 0.00 0.77 0.00 0.00 66.41 66.25 1qvx h THR 968 Cb 0.12 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1qvx h THR 968 CO -0.04 0.44 0.29 0.58 0.37 0.00 0.00 175.52 177.17 1qvx h VAL 969 N 0.72 0.84 0.00 3.16 2.07 0.72 0.78 116.25 124.54 1qvx h VAL 969 Ca 0.10 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1qvx h VAL 969 Cb 0.72 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1qvx h VAL 969 CO 0.06 0.02 -0.20 -0.78 0.02 0.00 0.00 177.57 176.68 1qvx h ASP 970 N 0.10 0.00 0.02 0.57 1.82 -0.58 0.61 116.42 118.96 1qvx h ASP 970 Ca 0.19 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1qvx h ASP 970 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1qvx h ASP 970 CO -0.02 0.20 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.47 1qvx h GLU 971 N 0.00 -0.02 0.00 0.28 4.39 -0.63 -3.18 114.58 115.42 1qvx h GLU 971 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1qvx h GLU 971 Cb 1.04 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1qvx h GLU 971 CO 0.03 0.55 -0.11 1.03 -1.16 0.00 0.00 179.01 179.35 1qvx h SER 972 N -0.61 0.00 0.43 1.42 0.87 -0.91 -3.23 113.55 111.51 1qvx h SER 972 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1qvx h SER 972 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1qvx h SER 972 CO 0.00 0.11 -0.21 0.25 -0.53 0.00 0.00 176.83 176.46 1qvx h LEU 973 N 0.00 -0.49 -2.23 2.23 6.46 0.26 0.27 115.31 121.82 1qvx h LEU 973 Ca -0.00 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1qvx h LEU 973 Cb 0.29 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1qvx h LEU 973 CO 0.01 -0.31 0.03 -0.65 -0.62 0.00 0.00 178.44 176.90 1qvx h PRO 974 N -0.62 0.00 0.00 5.25 0.11 -1.65 0.23 132.00 135.33 1qvx h PRO 974 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1qvx h PRO 974 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1qvx h PRO 974 CO 0.10 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.17 1qvx n VAL 975 N -4.16 0.66 0.04 3.15 0.31 -0.51 -3.29 118.33 114.53 1qvx n VAL 975 Ca -0.02 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.07 1qvx n VAL 975 Cb 0.13 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.12 1qvx n VAL 975 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1qvx h LEU 976 N 0.00 0.73 -1.15 7.52 8.10 0.30 0.52 115.31 131.32 1qvx h LEU 976 Ca 0.00 -0.79 -0.09 0.00 0.11 0.00 0.00 57.88 57.11 1qvx h LEU 976 Cb 0.56 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 1qvx h LEU 976 CO 0.00 1.43 -0.41 -0.65 -4.11 0.00 0.00 178.44 174.71 1qvx h PRO 977 N 0.11 0.00 0.55 0.17 0.11 -1.64 -1.08 132.00 130.22 1qvx h PRO 977 Ca -0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1qvx h PRO 977 Cb 1.62 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.73 1qvx h PRO 977 CO 0.18 0.41 -0.26 0.00 -0.21 0.00 0.00 178.00 178.11 1qvx h ALA 978 N 1.59 -0.74 0.00 -0.75 0.00 -1.53 -3.47 119.26 114.37 1qvx h ALA 978 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 978 Cb 0.76 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1qvx h ALA 978 CO 0.05 -0.88 0.00 0.43 0.00 0.00 0.00 179.25 178.85 1qvx n SER 979 N -5.38 0.00 -0.01 0.00 7.64 0.69 -4.93 113.62 111.63 1qvx n SER 979 Ca -0.12 0.00 0.23 0.00 1.01 0.00 0.00 58.87 59.99 1qvx n SER 979 Cb 0.32 0.09 0.72 0.00 -1.01 0.00 0.00 64.21 64.32 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 0.40 -1.00 0.44 2.02 -0.11 -3.30 112.91 111.38 1qvx h THR 980 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1qvx h THR 980 Cb 0.00 0.58 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 1qvx h THR 980 CO 0.00 0.00 0.61 1.12 0.37 0.00 0.00 175.52 177.62 1qvx h HIS 981 N 0.00 0.98 -0.25 3.16 -0.00 -1.41 0.27 115.15 117.90 1qvx h HIS 981 Ca 0.28 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.74 1qvx h HIS 981 Cb 1.39 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 28.45 1qvx h HIS 981 CO 0.00 0.20 -0.12 0.00 -0.00 0.00 0.00 177.93 178.02 1qvx h ARG 982 N 0.69 -0.08 -0.02 5.12 3.08 -1.84 -0.67 114.38 120.65 1qvx h ARG 982 Ca 0.57 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.59 1qvx h ARG 982 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1qvx h ARG 982 CO -0.36 -0.05 -0.13 1.49 -1.07 0.00 0.00 179.97 179.85 1qvx h GLU 983 N -0.08 0.13 -0.02 0.04 4.57 -0.82 -3.01 114.58 115.39 1qvx h GLU 983 Ca 0.13 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1qvx h GLU 983 Cb 0.28 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1qvx h GLU 983 CO -0.31 0.78 -0.01 0.97 -1.18 0.00 0.00 179.01 179.27 1qvx h ILE 984 N -0.48 1.02 -0.23 2.32 6.09 -0.99 0.16 117.51 125.39 1qvx h ILE 984 Ca -0.01 -0.08 -0.14 0.00 -1.37 0.00 0.00 64.86 63.27 1qvx h ILE 984 Cb 0.81 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 1qvx h ILE 984 CO 0.03 0.02 -0.42 -0.33 -3.07 0.00 0.00 178.15 174.38 1qvx h GLU 985 N 0.03 0.56 0.18 2.19 5.08 -1.16 -1.59 114.58 119.87 1qvx h GLU 985 Ca 0.01 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1qvx h GLU 985 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qvx h GLU 985 CO 0.00 0.88 -0.09 0.00 -1.00 0.00 0.00 179.01 178.80 1qvx h MET 986 N 0.46 -0.23 0.13 2.33 -0.00 -0.56 -3.00 114.93 114.06 1qvx h MET 986 Ca 0.04 0.02 -0.18 0.00 -0.00 0.00 0.00 59.70 59.57 1qvx h MET 986 Cb 0.92 0.05 0.02 0.00 -0.00 0.00 0.00 31.60 32.59 1qvx h MET 986 CO 0.08 0.09 -0.82 0.00 -0.00 0.00 0.00 176.91 176.26 1qvx h ALA 987 N 0.15 -0.07 -0.39 -3.00 0.00 -1.54 -3.00 119.26 111.41 1qvx h ALA 987 Ca -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1qvx h ALA 987 Cb 0.43 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1qvx h ALA 987 CO 0.04 0.39 0.01 0.37 0.00 0.00 0.00 179.25 180.06 1qvx h GLN 988 N -0.40 0.62 -0.47 0.00 -0.00 -1.42 0.85 115.11 114.29 1qvx h GLN 988 Ca -0.15 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.65 58.29 1qvx h GLN 988 Cb 1.62 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 29.00 1qvx h GLN 988 CO 0.14 0.63 0.01 -0.22 0.00 0.00 0.00 178.83 179.39 1qvx h LYS 989 N 0.59 0.82 -0.04 1.69 3.64 -1.66 -1.64 116.57 119.97 1qvx h LYS 989 Ca 0.12 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1qvx h LYS 989 Cb 0.35 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1qvx h LYS 989 CO 0.01 0.87 0.02 1.25 -2.27 0.00 0.00 179.45 179.33 1qvx h LEU 990 N 0.67 0.05 -0.63 5.20 5.85 -0.88 -3.00 115.31 122.58 1qvx h LEU 990 Ca 0.13 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 990 Cb 0.49 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1qvx h LEU 990 CO 0.02 0.13 -0.65 0.17 -0.34 0.00 0.00 178.44 177.77 1qvx h LEU 991 N -0.03 0.00 -0.71 2.25 8.10 0.63 -2.12 115.31 123.43 1qvx h LEU 991 Ca 0.01 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.05 1qvx h LEU 991 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.26 1qvx h LEU 991 CO -0.00 0.65 0.43 -1.13 -4.11 0.00 0.00 178.44 174.28 1qvx h ASN 992 N 0.00 0.68 1.23 0.17 -1.24 -1.28 0.20 115.58 115.34 1qvx h ASN 992 Ca -0.01 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1qvx h ASN 992 Cb 1.20 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 1qvx h ASN 992 CO 0.08 0.45 -0.43 0.28 -1.29 0.00 0.00 177.43 176.53 1qvx h SER 993 N 0.81 0.00 0.00 1.15 0.02 -1.29 -3.05 113.55 111.18 1qvx h SER 993 Ca 0.30 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.84 1qvx h SER 993 Cb 0.10 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 1qvx h SER 993 CO -0.14 0.43 -2.43 0.47 -1.14 0.00 0.00 176.83 174.03 1qvx n ASP 994 N -3.33 1.96 0.05 3.07 9.92 -0.84 -2.64 116.55 124.72 1qvx n ASP 994 Ca 0.01 0.12 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 1qvx n ASP 994 Cb 0.63 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.47 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1qvx h LEU 995 N -0.52 -0.54 -0.68 0.64 7.12 -0.79 -1.59 115.31 118.96 1qvx h LEU 995 Ca -0.61 0.08 0.06 0.00 0.13 0.00 0.00 57.88 57.54 1qvx h LEU 995 Cb 1.70 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 42.00 1qvx h LEU 995 CO -0.26 -0.24 0.37 0.00 -0.13 0.00 0.00 178.44 178.18 1qvx h ALA 996 N 0.65 0.91 -0.93 1.25 0.00 -1.66 -2.03 119.26 117.44 1qvx h ALA 996 Ca 0.06 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1qvx h ALA 996 Cb 0.37 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 996 CO -0.19 0.04 0.56 1.49 0.00 0.00 0.00 179.25 181.15 1qvx h GLU 997 N 0.68 0.85 -0.05 0.00 4.81 -1.16 -1.76 114.58 117.95 1qvx h GLU 997 Ca 0.31 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1qvx h GLU 997 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1qvx h GLU 997 CO -0.19 0.56 -0.49 1.25 -0.73 0.00 0.00 179.01 179.41 1qvx h LEU 998 N 0.87 0.12 -1.50 1.64 5.85 -0.58 0.60 115.31 122.32 1qvx h LEU 998 Ca 0.47 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1qvx h LEU 998 Cb 0.50 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1qvx h LEU 998 CO -0.28 0.60 0.37 0.40 -0.34 0.00 0.00 178.44 179.19 1qvx h ILE 999 N 0.09 1.07 0.00 4.05 2.04 -1.06 0.92 117.51 124.62 1qvx h ILE 999 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1qvx h ILE 999 Cb 0.91 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1qvx h ILE 999 CO 0.07 0.12 -0.80 0.59 0.00 0.00 0.00 178.15 178.13 1qvx n ASN 1000N -4.47 0.78 -0.05 1.72 3.02 -0.71 -2.67 115.26 112.87 1qvx n ASN 1000Ca 0.06 -0.66 -0.17 0.00 -0.03 0.00 0.00 54.58 53.78 1qvx n ASN 1000Cb 0.13 0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 39.86 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qvx h LYS 1001N 0.00 0.08 0.00 3.52 1.63 0.19 0.18 116.57 122.16 1qvx h LYS 1001Ca 0.00 -0.13 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 1qvx h LYS 1001Cb 0.51 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1qvx h LYS 1001CO 0.00 1.06 -0.63 1.98 -3.45 0.00 0.00 179.45 178.42 1qvx h MET 1002N -0.82 0.00 -0.28 1.90 4.05 -1.08 0.61 114.93 119.31 1qvx h MET 1002Ca -0.13 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1qvx h MET 1002Cb 1.25 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.01 1qvx h MET 1002CO -0.01 0.63 0.02 -0.22 0.23 0.00 0.00 176.91 177.56 1qvx h LYS 1003N 0.00 0.11 -0.66 0.39 3.64 -1.58 0.59 116.57 119.05 1qvx h LYS 1003Ca -0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 1003Cb 1.46 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.21 1qvx h LYS 1003CO 0.08 0.07 0.41 1.25 -2.27 0.00 0.00 179.45 178.99 1qvx h LEU 1004N 0.12 0.65 -0.59 5.20 5.85 -0.33 0.75 115.31 126.96 1qvx h LEU 1004Ca 0.13 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1qvx h LEU 1004Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1qvx h LEU 1004CO -0.20 0.45 0.17 0.00 -0.34 0.00 0.00 178.44 178.52 1qvx h ALA 1005N 1.30 0.77 0.00 1.25 0.00 -0.32 0.27 119.26 122.53 1qvx h ALA 1005Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1005Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qvx h ALA 1005CO -0.12 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1qvx n GLN 1006N -4.40 0.13 0.11 0.00 -0.00 0.20 -1.60 117.38 111.83 1qvx n GLN 1006Ca 0.03 0.19 0.05 0.00 -0.00 0.00 0.00 57.00 57.28 1qvx n GLN 1006Cb 0.21 -1.68 0.01 0.00 -0.00 0.00 0.00 30.24 28.79 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1qvx h GLN 1007N 0.00 0.00 0.00 2.61 5.75 0.18 -3.34 115.11 120.31 1qvx h GLN 1007Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1qvx h GLN 1007Cb 0.52 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1qvx h GLN 1007CO 0.00 0.24 -0.40 -0.92 -2.65 0.00 0.00 178.83 175.10 1qvx h TYR 1008N 0.00 0.00 -6.51 3.99 3.20 -0.65 -3.49 116.97 113.51 1qvx h TYR 1008Ca -0.05 0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.44 1qvx h TYR 1008Cb 1.29 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 1qvx h TYR 1008CO 0.00 0.41 -0.79 1.55 -1.64 0.00 0.00 178.16 177.70 1qvx n VAL 1009N -4.64 -2.19 -4.38 1.81 3.14 -0.63 -4.93 118.33 106.52 1qvx n VAL 1009Ca -0.10 -0.12 -0.26 0.00 -2.96 0.00 0.00 64.34 60.91 1qvx n VAL 1009Cb 0.29 -1.93 -0.12 0.00 -1.06 0.00 0.00 33.84 31.02 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1qvx s MET 1010N -4.89 1.40 0.12 1.45 -1.94 -1.26 -4.92 119.30 109.27 1qvx s MET 1010Ca 0.10 -1.43 -0.29 0.00 -1.71 0.00 0.00 55.69 52.36 1qvx s MET 1010Cb -0.06 -1.68 -0.07 0.00 2.01 0.00 0.00 34.83 35.04 1qvx s MET 1010CO 0.66 0.37 1.60 1.79 -0.01 0.00 0.00 175.02 179.43 1qvx h THR 1011N 3.40 0.22 0.00 2.05 1.35 -2.00 0.19 112.91 118.12 1qvx h THR 1011Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1qvx h THR 1011Cb 1.20 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1qvx h THR 1011CO 0.46 0.00 -1.92 -1.54 -0.25 0.00 0.00 175.52 172.28 1qvx n SER 1012N -5.44 0.08 0.15 5.36 3.41 -1.26 -4.38 113.62 111.54 1qvx n SER 1012Ca -0.05 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1qvx n SER 1012Cb 0.35 1.83 0.06 0.00 -0.26 0.00 0.00 64.21 66.20 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qvx h LEU 1013N 0.00 0.00 -0.12 1.04 -0.00 -1.94 -3.34 115.31 110.95 1qvx h LEU 1013Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1qvx h LEU 1013Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1qvx h LEU 1013CO 0.00 0.01 0.06 -0.61 -0.00 0.00 0.00 178.44 177.90 1qvx h GLN 1014N 0.00 0.16 -0.73 1.13 -0.00 -0.83 -2.66 115.11 112.18 1qvx h GLN 1014Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1qvx h GLN 1014Cb 1.00 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 28.42 1qvx h GLN 1014CO 0.00 0.19 0.47 -0.56 0.00 0.00 0.00 178.83 178.93 1qvx h GLN 1015N 0.10 0.98 -0.44 1.69 3.07 -1.79 0.17 115.11 118.87 1qvx h GLN 1015Ca 0.04 -0.07 0.09 0.00 0.09 0.00 0.00 58.65 58.80 1qvx h GLN 1015Cb 0.07 -0.21 -0.09 0.00 0.08 0.00 0.00 27.48 27.33 1qvx h GLN 1015CO -0.01 0.66 -0.13 1.49 0.09 0.00 0.00 178.83 180.93 1qvx h GLU 1016N 1.00 -0.03 0.00 0.06 4.57 -1.61 0.56 114.58 119.13 1qvx h GLU 1016Ca 0.27 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 1qvx h GLU 1016Cb -0.09 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1qvx h GLU 1016CO -0.05 -0.02 -0.34 1.88 -1.18 0.00 0.00 179.01 179.29 1qvx h TYR 1017N -0.03 0.00 -0.22 0.92 -1.99 -0.86 -2.37 116.97 112.42 1qvx h TYR 1017Ca 0.21 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.80 1qvx h TYR 1017Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1qvx h TYR 1017CO -0.40 0.34 -0.46 -0.22 -0.00 0.00 0.00 178.16 177.42 1qvx h LYS 1018N 0.00 0.56 0.00 4.88 3.64 0.61 0.19 116.57 126.45 1qvx h LYS 1018Ca -0.00 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 1qvx h LYS 1018Cb 0.88 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1qvx h LYS 1018CO 0.04 0.91 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.63 1qvx h LYS 1019N 0.45 0.00 0.18 1.90 3.64 0.38 -0.78 116.57 122.33 1qvx h LYS 1019Ca 0.03 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.08 1qvx h LYS 1019Cb 0.98 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1qvx h LYS 1019CO 0.09 0.28 -1.61 1.96 -2.27 0.00 0.00 179.45 177.90 1qvx h GLN 1020N 0.00 0.37 0.00 1.90 4.20 -0.91 -3.08 115.11 117.58 1qvx h GLN 1020Ca -0.00 -0.63 -0.07 0.00 0.06 0.00 0.00 58.65 58.00 1qvx h GLN 1020Cb 0.51 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1qvx h GLN 1020CO 0.04 1.27 -0.34 0.00 -0.67 0.00 0.00 178.83 179.12 1qvx h MET 1021N 0.10 0.00 -0.55 1.46 -0.00 -0.55 -2.80 114.93 112.59 1qvx h MET 1021Ca -0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.36 1qvx h MET 1021Cb 2.08 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.66 1qvx h MET 1021CO 0.19 0.34 0.12 1.25 -0.00 0.00 0.00 176.91 178.81 1qvx h LEU 1022N 0.00 0.85 -1.45 -0.10 7.12 -1.15 0.71 115.31 121.29 1qvx h LEU 1022Ca -0.00 -0.24 0.03 0.00 0.13 0.00 0.00 57.88 57.79 1qvx h LEU 1022Cb 0.84 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 1qvx h LEU 1022CO 0.04 0.88 0.40 0.74 -0.13 0.00 0.00 178.44 180.37 1qvx h THR 1023N 0.79 1.08 0.18 1.05 2.02 -1.41 -0.56 112.91 116.06 1qvx h THR 1023Ca 0.17 -0.25 -0.31 0.00 0.77 0.00 0.00 66.41 66.79 1qvx h THR 1023Cb 0.37 0.30 0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1qvx h THR 1023CO 0.01 0.13 -1.34 0.00 0.37 0.00 0.00 175.52 174.69 1qvx h ALA 1024N 1.65 -0.04 -0.24 6.16 0.00 -1.17 -2.89 119.26 122.73 1qvx h ALA 1024Ca 0.24 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1qvx h ALA 1024Cb 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 1024CO -0.07 0.75 0.07 0.00 0.00 0.00 0.00 179.25 180.00 1qvx h ALA 1025N 0.31 1.67 -0.17 0.00 0.00 0.96 0.49 119.26 122.52 1qvx h ALA 1025Ca -0.20 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1qvx h ALA 1025Cb 2.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.72 1qvx h ALA 1025CO 0.25 0.26 -0.66 1.25 0.00 0.00 0.00 179.25 180.34 1qvx h HIS 1026N 0.34 1.00 -0.61 0.00 6.17 -1.15 0.69 115.15 121.58 1qvx h HIS 1026Ca 0.08 -0.42 -0.04 0.00 0.71 0.00 0.00 60.37 60.70 1qvx h HIS 1026Cb 0.12 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 1qvx h HIS 1026CO 0.00 1.24 0.20 0.00 0.71 0.00 0.00 177.93 180.08 1qvx h ALA 1027N 0.56 1.21 0.03 5.26 0.00 -1.09 0.82 119.26 126.05 1qvx h ALA 1027Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 1027Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qvx h ALA 1027CO 0.14 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 181.18 1qvx h LEU 1028N 0.89 -0.04 -1.00 0.00 6.46 0.05 0.13 115.31 121.80 1qvx h LEU 1028Ca 0.20 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 1qvx h LEU 1028Cb 0.24 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 1qvx h LEU 1028CO -0.01 -0.02 0.63 0.00 -0.62 0.00 0.00 178.44 178.42 1qvx h ALA 1029N 0.91 1.48 -0.20 1.25 0.00 -0.35 0.02 119.26 122.37 1qvx h ALA 1029Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 1029Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qvx h ALA 1029CO 0.01 0.27 -0.18 0.28 0.00 0.00 0.00 179.25 179.63 1qvx h VAL 1030N 1.03 1.23 -0.30 0.00 2.07 -0.28 -0.89 116.25 119.11 1qvx h VAL 1030Ca 0.48 -1.03 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 1qvx h VAL 1030Cb 0.42 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1qvx h VAL 1030CO -0.25 0.32 -0.50 -2.24 0.02 0.00 0.00 177.57 174.93 1qvx h ASP 1031N 0.32 0.93 0.34 0.57 3.04 0.12 0.54 116.42 122.28 1qvx h ASP 1031Ca 0.06 -0.48 -0.02 0.00 -3.24 0.00 0.00 57.03 53.35 1qvx h ASP 1031Cb 0.51 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1qvx h ASP 1031CO 0.03 1.26 -0.16 0.00 -2.04 0.00 0.00 179.24 178.33 1qvx h ALA 1032N 0.76 -0.45 -0.19 4.15 0.00 -1.30 -2.53 119.26 119.70 1qvx h ALA 1032Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1qvx h ALA 1032Cb 1.09 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1qvx h ALA 1032CO 0.11 -0.70 -0.08 0.87 0.00 0.00 0.00 179.25 179.45 1qvx h LYS 1033N -0.56 0.29 -0.27 0.00 1.57 -0.93 -0.21 116.57 116.46 1qvx h LYS 1033Ca -0.05 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1qvx h LYS 1033Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1qvx h LYS 1033CO 0.08 0.39 -0.42 -0.97 -0.57 0.00 0.00 179.45 177.95 1qvx h ASN 1034N 0.28 0.70 1.40 0.86 -1.24 0.09 -2.85 115.58 114.82 1qvx h ASN 1034Ca 0.06 -0.32 -0.08 0.00 0.71 0.00 0.00 56.30 56.67 1qvx h ASN 1034Cb 0.32 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1qvx h ASN 1034CO 0.02 1.03 -0.37 0.25 -1.29 0.00 0.00 177.43 177.06 1qvx h LEU 1035N 0.53 0.00 -0.64 0.34 5.85 -0.90 -2.16 115.31 118.34 1qvx h LEU 1035Ca 0.04 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 1035Cb 0.95 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1qvx h LEU 1035CO 0.09 0.37 0.41 0.17 -0.34 0.00 0.00 178.44 179.14 1qvx h LEU 1036N 0.00 0.70 -0.83 2.25 8.10 -0.83 0.75 115.31 125.45 1qvx h LEU 1036Ca -0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 1qvx h LEU 1036Cb 1.17 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.22 1qvx h LEU 1036CO 0.05 0.50 -0.18 -0.78 -4.11 0.00 0.00 178.44 173.91 1qvx h ASP 1037N 0.83 0.00 0.02 0.17 3.58 -1.43 0.11 116.42 119.70 1qvx h ASP 1037Ca 0.24 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 1qvx h ASP 1037Cb -0.05 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.01 1qvx h ASP 1037CO -0.07 0.18 -0.36 0.58 -2.88 0.00 0.00 179.24 176.69 1qvx h VAL 1038N 0.00 1.55 0.02 2.25 2.07 -0.26 -2.86 116.25 119.01 1qvx h VAL 1038Ca -0.00 -2.10 -0.32 0.00 0.82 0.00 0.00 66.70 65.10 1qvx h VAL 1038Cb 0.84 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1qvx h VAL 1038CO 0.02 0.58 -1.92 2.30 0.02 0.00 0.00 177.57 178.58 1qvx n ILE 1039N -4.41 1.58 -0.12 4.57 -5.35 0.24 0.13 119.36 115.99 1qvx n ILE 1039Ca -0.10 -0.78 -0.04 0.00 -0.27 0.00 0.00 62.75 61.55 1qvx n ILE 1039Cb 0.58 -1.02 0.03 0.00 -1.74 0.00 0.00 39.64 37.48 1qvx n ILE 1039CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1qvx h ASP 1040N 0.01 -0.09 1.36 7.28 3.58 -0.94 0.21 116.42 127.83 1qvx h ASP 1040Ca -0.37 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 1qvx h ASP 1040Cb 2.06 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 43.24 1qvx h ASP 1040CO 0.06 -0.01 -0.18 1.56 -2.88 0.00 0.00 179.24 177.79 1qvx h GLN 1041N 0.15 0.00 -0.01 0.28 4.20 -1.53 -0.85 115.11 117.35 1qvx h GLN 1041Ca 0.20 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1qvx h GLN 1041Cb 0.27 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1qvx h GLN 1041CO -0.30 0.18 -0.18 0.00 -0.67 0.00 0.00 178.83 177.86 1qvx h ALA 1042N 1.82 -0.21 -0.05 3.87 0.00 0.19 1.31 119.26 126.19 1qvx h ALA 1042Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qvx h ALA 1042Cb 0.91 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qvx h ALA 1042CO 0.02 -0.67 0.04 0.00 0.00 0.00 0.00 179.25 178.64 1qvx h ARG 1043N -0.29 0.00 0.00 0.00 -0.00 -0.15 0.16 114.38 114.10 1qvx h ARG 1043Ca 0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.47 1qvx h ARG 1043Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 1qvx h ARG 1043CO -0.18 0.00 -0.32 -0.07 0.00 0.00 0.00 179.97 179.40 1qvx h LEU 1044N 0.00 0.00 -1.13 3.04 3.38 -0.22 -2.37 115.31 118.01 1qvx h LEU 1044Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1qvx h LEU 1044Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qvx h LEU 1044CO -0.00 0.32 0.13 0.11 0.09 0.00 0.00 178.44 179.09 1qvx h LYS 1045N 0.00 0.75 -0.52 1.13 1.79 0.46 0.53 116.57 120.71 1qvx h LYS 1045Ca -0.00 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.21 1qvx h LYS 1045Cb 1.18 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1qvx h LYS 1045CO 0.04 0.67 -0.16 1.98 -1.08 0.00 0.00 179.45 180.90 1qvx h MET 1046N 0.73 1.02 -0.87 3.15 4.05 -1.07 0.32 114.93 122.24 1qvx h MET 1046Ca 0.16 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1qvx h MET 1046Cb 0.25 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 1qvx h MET 1046CO -0.00 1.09 0.55 0.82 0.23 0.00 0.00 176.91 179.59 1qvx h ILE 1047N 0.89 1.23 -0.62 1.77 1.08 -0.85 0.39 117.51 121.40 1qvx h ILE 1047Ca 0.13 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 1qvx h ILE 1047Cb 0.73 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1qvx h ILE 1047CO 0.06 0.24 0.16 0.28 -0.69 0.00 0.00 178.15 178.19 1qvx h SER 1048N 1.20 0.93 -0.08 1.72 0.02 0.77 0.27 113.55 118.38 1qvx h SER 1048Ca 0.32 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1qvx h SER 1048Cb -0.09 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.21 1qvx h SER 1048CO -0.06 0.92 -0.41 -0.61 -1.14 0.00 0.00 176.83 175.53 1qvx h GLN 1049N 0.90 0.42 -0.23 3.45 5.75 0.11 -3.26 115.11 122.26 1qvx h GLN 1049Ca 0.19 -0.34 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 1qvx h GLN 1049Cb 0.35 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1qvx h GLN 1049CO 0.00 0.98 -0.35 1.03 -2.65 0.00 0.00 178.83 177.84 1qvx h SER 1050N -0.04 0.50 -4.74 -0.69 0.87 -0.21 -3.49 113.55 105.75 1qvx h SER 1050Ca -0.03 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1qvx h SER 1050Cb 1.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 1qvx h SER 1050CO 0.08 0.81 -0.97 0.54 -0.53 0.00 0.00 176.83 176.77 1qvx n ARG 1051N -4.06 -3.19 0.00 2.24 5.12 0.08 -4.90 116.66 111.95 1qvx n ARG 1051Ca -0.01 2.58 0.14 0.00 -1.93 0.00 0.00 57.85 58.63 1qvx n ARG 1051Cb 0.47 -4.59 0.69 0.00 -1.16 0.00 0.00 32.46 27.87 1qvx n ARG 1051CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1qvx n PRO 1052N 0.82 0.28 0.00 5.56 -0.04 -1.26 -5.09 135.00 135.26 1qvx n PRO 1052Ca -0.10 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1qvx n PRO 1052Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1qvx n PRO 1052CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07