#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 0.00 -3.37 6.15 2.88 -1.26 -4.07 113.62 113.95 1qvx n SER 921 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1qvx n SER 921 Cb 0.00 -0.80 0.01 0.00 -0.75 0.00 0.00 64.21 62.66 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 0.00 -6.56 -3.11 -3.46 4.13 -1.26 -4.97 115.26 100.03 1qvx n ASN 922 Ca 0.00 -0.48 -0.01 0.00 1.68 0.00 0.00 54.58 55.77 1qvx n ASN 922 Cb 0.00 -3.92 0.01 0.00 -1.54 0.00 0.00 39.78 34.33 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 -2.19 -0.88 0.13 6.41 2.03 -1.26 -3.50 116.55 117.30 1qvx n ASP 923 Ca -0.12 -0.04 0.06 0.00 0.52 0.00 0.00 54.79 55.21 1qvx n ASP 923 Cb 0.58 -0.11 0.09 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.29 0.02 0.21 -0.67 0.00 -1.26 -0.14 118.16 116.03 1qvx n LYS 924 Ca 0.01 0.72 -0.15 0.00 0.00 0.00 0.00 58.31 58.89 1qvx n LYS 924 Cb 0.03 -1.91 -0.07 0.00 0.00 0.00 0.00 35.03 33.07 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 0.31 0.01 3.15 -1.51 -1.89 0.18 116.25 116.50 1qvx h VAL 925 Ca 0.10 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.38 1qvx h VAL 925 Cb 1.69 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1qvx h VAL 925 CO -0.00 0.00 -0.92 0.22 -1.23 0.00 0.00 177.57 175.64 1qvx h TYR 926 N -0.69 0.06 0.09 5.19 3.20 -0.58 -3.19 116.97 121.05 1qvx h TYR 926 Ca -0.02 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1qvx h TYR 926 Cb 0.63 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1qvx h TYR 926 CO -0.19 0.93 -0.04 0.93 -1.64 0.00 0.00 178.16 178.14 1qvx h GLU 927 N 0.01 -0.12 -0.35 1.82 5.08 -1.45 -2.45 114.58 117.13 1qvx h GLU 927 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1qvx h GLU 927 Cb 1.61 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1qvx h GLU 927 CO 0.12 -0.07 0.01 -0.97 -1.00 0.00 0.00 179.01 177.10 1qvx h ASN 928 N -0.14 0.59 0.03 1.42 -0.73 -0.66 -1.73 115.58 114.36 1qvx h ASN 928 Ca -0.01 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 57.83 1qvx h ASN 928 Cb 0.11 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1qvx h ASN 928 CO 0.02 0.75 -0.07 0.58 -0.37 0.00 0.00 177.43 178.34 1qvx h VAL 929 N 0.42 1.10 -0.36 2.57 2.07 -1.56 0.34 116.25 120.84 1qvx h VAL 929 Ca 0.10 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1qvx h VAL 929 Cb 0.44 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1qvx h VAL 929 CO 0.02 0.14 0.00 0.74 0.02 0.00 0.00 177.57 178.49 1qvx h THR 930 N 0.12 1.20 -0.08 2.57 2.02 -0.97 -0.93 112.91 116.84 1qvx h THR 930 Ca 0.03 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.43 1qvx h THR 930 Cb 0.21 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1qvx h THR 930 CO 0.01 0.28 0.07 1.23 0.37 0.00 0.00 175.52 177.48 1qvx h GLY 931 N 0.85 0.00 0.69 2.16 0.00 0.56 -2.12 103.07 105.21 1qvx h GLY 931 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1qvx h GLY 931 CO 0.01 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.54 1qvx h LEU 932 N 0.00 0.09 -1.50 3.11 6.46 -0.50 -0.52 115.31 122.44 1qvx h LEU 932 Ca 0.04 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1qvx h LEU 932 Cb 0.18 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1qvx h LEU 932 CO -0.00 0.41 -0.04 -0.37 -0.62 0.00 0.00 178.44 177.82 1qvx h VAL 933 N -0.24 1.14 0.00 1.05 -1.51 -1.45 0.39 116.25 115.63 1qvx h VAL 933 Ca 0.01 -0.58 -0.04 0.00 -1.23 0.00 0.00 66.70 64.86 1qvx h VAL 933 Cb 0.37 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1qvx h VAL 933 CO 0.00 0.19 -0.21 0.11 -1.23 0.00 0.00 177.57 176.43 1qvx h LYS 934 N 0.27 0.00 0.00 5.19 6.56 -1.09 -1.66 116.57 125.84 1qvx h LYS 934 Ca 0.06 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.51 1qvx h LYS 934 Cb 0.25 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1qvx h LYS 934 CO 0.01 0.21 -0.78 0.00 -2.06 0.00 0.00 179.45 176.84 1qvx h ALA 935 N 1.79 0.62 0.00 3.86 0.00 0.70 -2.71 119.26 123.52 1qvx h ALA 935 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qvx h ALA 935 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qvx h ALA 935 CO 0.03 0.80 -0.04 1.55 0.00 0.00 0.00 179.25 181.58 1qvx n VAL 936 N -3.18 0.05 -0.00 0.00 3.14 -0.50 -1.82 118.33 116.03 1qvx n VAL 936 Ca -0.01 -0.03 -0.11 0.00 -2.96 0.00 0.00 64.34 61.24 1qvx n VAL 936 Cb 0.79 -0.45 0.02 0.00 -1.06 0.00 0.00 33.84 33.15 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 0.00 1.32 -0.56 1.55 1.08 -1.01 0.26 117.51 120.15 1qvx h ILE 937 Ca 0.00 -1.87 0.04 0.00 -0.39 0.00 0.00 64.86 62.64 1qvx h ILE 937 Cb 0.52 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 36.06 1qvx h ILE 937 CO 0.00 0.58 0.31 -0.33 -0.69 0.00 0.00 178.15 178.02 1qvx h GLU 938 N 0.44 0.58 -0.51 2.37 5.08 -1.06 0.09 114.58 121.58 1qvx h GLU 938 Ca -0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1qvx h GLU 938 Cb 1.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1qvx h GLU 938 CO 0.12 0.39 0.31 1.98 -1.00 0.00 0.00 179.01 180.81 1qvx h MET 939 N 0.60 0.61 -0.59 2.33 4.05 -1.17 0.73 114.93 121.49 1qvx h MET 939 Ca 0.24 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.56 1qvx h MET 939 Cb 0.10 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1qvx h MET 939 CO -0.14 0.41 0.12 1.03 0.23 0.00 0.00 176.91 178.56 1qvx h SER 940 N 0.63 0.87 0.17 1.39 0.87 -0.41 -0.70 113.55 116.37 1qvx h SER 940 Ca 0.20 -0.18 -0.28 0.00 -1.23 0.00 0.00 61.79 60.30 1qvx h SER 940 Cb -0.01 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1qvx h SER 940 CO -0.07 0.86 -1.14 0.77 -0.53 0.00 0.00 176.83 176.72 1qvx h SER 941 N 0.89 0.80 -0.36 6.23 4.64 -0.75 -2.89 113.55 122.11 1qvx h SER 941 Ca 0.19 -0.70 0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1qvx h SER 941 Cb 0.35 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 1qvx h SER 941 CO 0.00 1.51 -0.09 0.11 -0.87 0.00 0.00 176.83 177.50 1qvx h LYS 942 N 0.29 0.00 0.00 4.77 1.79 -0.60 -2.25 116.57 120.57 1qvx h LYS 942 Ca -0.15 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1qvx h LYS 942 Cb 1.81 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.45 1qvx h LYS 942 CO 0.21 0.00 -0.21 0.97 -1.08 0.00 0.00 179.45 179.35 1qvx h ILE 943 N 0.00 0.52 0.50 1.86 2.10 -1.11 -3.07 117.51 118.32 1qvx h ILE 943 Ca 0.17 -1.06 -0.02 0.00 1.08 0.00 0.00 64.86 65.03 1qvx h ILE 943 Cb 0.26 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1qvx h ILE 943 CO -0.37 0.20 -0.26 1.56 -1.08 0.00 0.00 178.15 178.21 1qvx h GLN 944 N 0.00 -0.67 -0.40 2.19 1.08 -1.18 -3.32 115.11 112.80 1qvx h GLN 944 Ca -0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1qvx h GLN 944 Cb 0.71 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1qvx h GLN 944 CO 0.03 -0.45 0.00 -0.35 -0.95 0.00 0.00 178.83 177.11 1qvx n PRO 945 N -3.94 2.47 -4.22 1.46 -0.04 -1.25 -4.98 135.00 124.50 1qvx n PRO 945 Ca -0.09 -2.27 -0.25 0.00 -0.04 0.00 0.00 63.50 60.86 1qvx n PRO 945 Cb 0.28 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.39 3.26 0.93 0.55 0.00 -1.16 -5.14 121.76 118.82 1qvx s ALA 946 Ca 0.38 -1.46 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1qvx s ALA 946 Cb 0.22 -0.98 0.18 0.00 0.00 0.00 0.00 23.12 22.53 1qvx s ALA 946 CO 0.30 0.38 1.29 -1.25 0.00 0.00 0.00 175.76 176.48 1qvx s PRO 947 N -3.33 0.91 0.60 0.00 0.04 -1.26 -4.82 135.00 127.14 1qvx s PRO 947 Ca 0.30 -0.30 0.29 0.00 0.04 0.00 0.00 61.00 61.32 1qvx s PRO 947 Cb -0.08 -1.87 1.53 0.00 0.04 0.00 0.00 34.50 34.12 1qvx s PRO 947 CO 0.20 -2.25 1.94 -1.35 0.04 0.00 0.00 177.00 175.58 1qvx h PRO 948 N -1.53 0.00 -0.60 0.56 0.11 -1.97 0.22 132.00 128.79 1qvx h PRO 948 Ca -0.45 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.82 1qvx h PRO 948 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1qvx h PRO 948 CO 0.44 0.00 0.42 0.93 -0.21 0.00 0.00 178.00 179.58 1qvx h GLU 949 N 0.00 0.12 -0.11 1.05 5.08 -1.96 0.26 114.58 119.03 1qvx h GLU 949 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1qvx h GLU 949 Cb 0.97 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1qvx h GLU 949 CO -0.00 0.08 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 1qvx n GLU 950 N -4.40 2.24 -0.22 2.33 -0.58 0.75 -4.10 120.64 116.65 1qvx n GLU 950 Ca 0.11 -1.95 -0.06 0.00 -0.42 0.00 0.00 57.16 54.84 1qvx n GLU 950 Cb 0.59 -1.45 0.09 0.00 -0.57 0.00 0.00 31.44 30.10 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1qvx h TYR 951 N 4.45 1.09 0.04 -0.32 0.05 -0.35 0.34 116.97 122.27 1qvx h TYR 951 Ca 0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1qvx h TYR 951 Cb 0.95 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1qvx h TYR 951 CO 0.06 0.89 -0.02 -0.24 -1.05 0.00 0.00 178.16 177.80 1qvx h VAL 952 N 1.00 1.34 -0.95 -2.88 3.04 -1.65 -3.16 116.25 112.99 1qvx h VAL 952 Ca 0.21 -1.44 0.20 0.00 -1.01 0.00 0.00 66.70 64.66 1qvx h VAL 952 Cb 0.34 2.27 -0.08 0.00 -2.01 0.00 0.00 31.29 31.81 1qvx h VAL 952 CO -0.00 0.35 0.61 -0.65 -1.01 0.00 0.00 177.57 176.87 1qvx h PRO 953 N -0.72 0.53 -0.25 4.17 0.11 -1.69 0.21 132.00 134.36 1qvx h PRO 953 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 953 Cb 0.62 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1qvx h PRO 953 CO 0.01 0.35 0.11 0.00 -0.21 0.00 0.00 178.00 178.26 1qvx h MET 954 N 0.55 0.37 0.00 1.05 -0.00 -0.36 -0.44 114.93 116.09 1qvx h MET 954 Ca 0.52 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.70 60.10 1qvx h MET 954 Cb 1.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.61 1qvx h MET 954 CO -0.25 0.38 -0.27 0.28 -0.00 0.00 0.00 176.91 177.05 1qvx h VAL 955 N 0.27 0.85 -0.84 -0.10 2.07 -1.42 -2.19 116.25 114.88 1qvx h VAL 955 Ca 0.09 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1qvx h VAL 955 Cb 0.14 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1qvx h VAL 955 CO -0.01 0.26 0.55 0.50 0.02 0.00 0.00 177.57 178.90 1qvx h LYS 956 N 0.00 1.01 -0.47 1.57 3.64 0.45 0.28 116.57 123.05 1qvx h LYS 956 Ca -0.00 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1qvx h LYS 956 Cb 0.62 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 1qvx h LYS 956 CO 0.03 0.67 0.16 0.93 -2.27 0.00 0.00 179.45 178.97 1qvx h GLU 957 N 1.04 0.32 0.00 1.90 4.39 -0.48 -0.94 114.58 120.82 1qvx h GLU 957 Ca 0.34 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.98 1qvx h GLU 957 Cb 0.04 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1qvx h GLU 957 CO -0.10 0.21 -0.17 -0.39 -1.16 0.00 0.00 179.01 177.40 1qvx h VAL 958 N 0.33 0.36 -0.24 3.13 -1.51 -1.16 -2.39 116.25 114.77 1qvx h VAL 958 Ca 0.23 -1.12 -0.09 0.00 -1.23 0.00 0.00 66.70 64.48 1qvx h VAL 958 Cb 0.24 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1qvx h VAL 958 CO -0.24 0.16 -0.21 1.23 -1.23 0.00 0.00 177.57 177.28 1qvx h GLY 959 N 2.68 0.63 2.00 5.19 0.00 0.51 -2.18 103.07 111.90 1qvx h GLY 959 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1qvx h GLY 959 CO 0.02 0.57 -0.17 1.41 0.00 0.00 0.00 176.54 178.36 1qvx h LEU 960 N 0.29 0.00 0.59 3.11 -0.00 -1.19 -2.17 115.31 115.93 1qvx h LEU 960 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1qvx h LEU 960 Cb 0.76 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1qvx h LEU 960 CO 0.05 0.17 -0.35 0.00 -0.00 0.00 0.00 178.44 178.32 1qvx h ALA 961 N 1.83 -0.89 -0.54 1.53 0.00 -0.88 0.30 119.26 120.61 1qvx h ALA 961 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 961 Cb 0.35 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1qvx h ALA 961 CO 0.02 -1.02 0.17 1.25 0.00 0.00 0.00 179.25 179.68 1qvx h LEU 962 N -0.88 0.73 0.34 0.00 6.46 -1.33 0.12 115.31 120.75 1qvx h LEU 962 Ca -0.07 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1qvx h LEU 962 Cb 0.71 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1qvx h LEU 962 CO 0.08 0.69 -0.17 -0.09 -0.62 0.00 0.00 178.44 178.33 1qvx h ARG 963 N 0.78 -0.45 -0.94 1.25 2.43 -1.11 0.43 114.38 116.76 1qvx h ARG 963 Ca 0.18 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 1qvx h ARG 963 Cb 0.22 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1qvx h ARG 963 CO -0.01 -0.30 0.58 1.15 -1.51 0.00 0.00 179.97 179.88 1qvx h THR 964 N -0.47 0.98 0.00 0.20 2.02 -0.21 0.57 112.91 116.00 1qvx h THR 964 Ca -0.05 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1qvx h THR 964 Cb 0.37 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1qvx h THR 964 CO 0.07 0.18 -0.04 0.25 0.37 0.00 0.00 175.52 176.36 1qvx h LEU 965 N 0.99 0.00 -1.22 2.58 6.46 -0.26 -1.75 115.31 122.11 1qvx h LEU 965 Ca 0.43 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.11 1qvx h LEU 965 Cb 0.32 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1qvx h LEU 965 CO -0.22 0.04 -0.38 0.25 -0.62 0.00 0.00 178.44 177.50 1qvx h LEU 966 N 0.00 0.00 -0.87 2.25 5.85 0.22 0.33 115.31 123.09 1qvx h LEU 966 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1qvx h LEU 966 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1qvx h LEU 966 CO 0.00 0.38 0.13 0.00 -0.34 0.00 0.00 178.44 178.62 1qvx h ALA 967 N 1.62 1.08 -0.11 1.25 0.00 -1.14 -1.90 119.26 120.05 1qvx h ALA 967 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1qvx h ALA 967 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 967 CO 0.05 0.61 -0.55 1.15 0.00 0.00 0.00 179.25 180.50 1qvx h THR 968 N 0.92 1.35 -0.54 0.00 2.02 -1.14 -2.31 112.91 113.22 1qvx h THR 968 Ca 0.19 -1.85 0.14 0.00 0.77 0.00 0.00 66.41 65.67 1qvx h THR 968 Cb 0.35 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1qvx h THR 968 CO 0.00 0.55 0.38 0.58 0.37 0.00 0.00 175.52 177.41 1qvx h VAL 969 N 0.25 0.78 0.00 3.16 2.07 0.17 0.12 116.25 122.80 1qvx h VAL 969 Ca 0.00 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1qvx h VAL 969 Cb 1.05 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1qvx h VAL 969 CO 0.09 0.02 -0.56 -0.78 0.02 0.00 0.00 177.57 176.36 1qvx h ASP 970 N 0.10 0.00 0.31 0.57 3.58 -0.80 0.60 116.42 120.78 1qvx h ASP 970 Ca 0.26 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1qvx h ASP 970 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1qvx h ASP 970 CO -0.03 0.56 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.41 1qvx h GLU 971 N 0.00 -0.40 0.00 0.28 4.39 -0.79 -3.02 114.58 115.05 1qvx h GLU 971 Ca -0.01 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1qvx h GLU 971 Cb 1.32 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1qvx h GLU 971 CO 0.07 -0.09 -0.10 1.03 -1.16 0.00 0.00 179.01 178.76 1qvx h SER 972 N -0.71 0.00 0.13 1.42 0.87 -0.80 -3.25 113.55 111.21 1qvx h SER 972 Ca -0.04 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1qvx h SER 972 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1qvx h SER 972 CO 0.07 0.10 -0.17 0.25 -0.53 0.00 0.00 176.83 176.54 1qvx h LEU 973 N 0.00 -0.47 -1.93 2.23 6.46 0.35 0.78 115.31 122.73 1qvx h LEU 973 Ca -0.00 0.05 0.14 0.00 -0.12 0.00 0.00 57.88 57.95 1qvx h LEU 973 Cb 0.22 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1qvx h LEU 973 CO 0.01 -0.26 0.37 -0.65 -0.62 0.00 0.00 178.44 177.30 1qvx h PRO 974 N -0.36 0.08 0.00 5.25 0.11 -1.64 0.30 132.00 135.74 1qvx h PRO 974 Ca 0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1qvx h PRO 974 Cb 0.36 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1qvx h PRO 974 CO -0.07 0.05 0.00 0.28 -0.21 0.00 0.00 178.00 178.05 1qvx n VAL 975 N -4.41 0.58 0.27 3.15 0.31 0.14 -3.11 118.33 115.26 1qvx n VAL 975 Ca 0.09 -0.09 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1qvx n VAL 975 Cb 0.54 -0.73 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 1qvx n VAL 975 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1qvx h LEU 976 N 0.00 -0.59 -2.13 7.52 4.07 0.42 0.40 115.31 125.00 1qvx h LEU 976 Ca 0.00 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1qvx h LEU 976 Cb 0.58 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1qvx h LEU 976 CO 0.00 -0.40 0.12 1.55 -1.08 0.00 0.00 178.44 178.63 1qvx h PRO 977 N -0.74 0.00 0.19 1.13 0.13 -1.65 0.75 132.00 131.81 1qvx h PRO 977 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1qvx h PRO 977 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1qvx h PRO 977 CO 0.12 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 177.77 1qvx h ALA 978 N 1.89 -0.28 0.00 -0.56 0.00 -1.47 -3.46 119.26 115.38 1qvx h ALA 978 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qvx h ALA 978 Cb 0.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 978 CO -0.00 -0.67 0.00 0.45 0.00 0.00 0.00 179.25 179.03 1qvx n SER 979 N -5.23 0.00 0.30 0.00 2.88 0.14 -4.85 113.62 106.86 1qvx n SER 979 Ca -0.09 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.63 1qvx n SER 979 Cb 0.15 0.00 0.91 0.00 -0.75 0.00 0.00 64.21 64.52 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1qvx h THR 980 N 0.00 0.25 -0.11 2.46 2.02 0.15 -3.17 112.91 114.51 1qvx h THR 980 Ca 0.00 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1qvx h THR 980 Cb 0.00 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1qvx h THR 980 CO 0.00 0.04 0.36 -0.74 0.37 0.00 0.00 175.52 175.55 1qvx h HIS 981 N 0.00 0.00 0.09 3.16 6.17 -1.10 0.43 115.15 123.91 1qvx h HIS 981 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 1qvx h HIS 981 Cb 0.22 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1qvx h HIS 981 CO 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 177.93 178.59 1qvx h ARG 982 N 0.00 -0.12 -0.06 5.26 3.08 -1.82 -3.14 114.38 117.58 1qvx h ARG 982 Ca 0.05 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 1qvx h ARG 982 Cb 0.78 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.86 1qvx h ARG 982 CO -0.00 0.34 -0.61 1.49 -1.07 0.00 0.00 179.97 180.11 1qvx h GLU 983 N -0.93 0.52 -0.79 0.04 4.57 -1.43 -3.16 114.58 113.39 1qvx h GLU 983 Ca -0.01 -0.48 0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1qvx h GLU 983 Cb 0.52 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1qvx h GLU 983 CO 0.02 1.11 0.52 0.97 -1.18 0.00 0.00 179.01 180.46 1qvx h ILE 984 N 0.11 1.17 -0.67 2.32 -0.00 -0.39 0.65 117.51 120.70 1qvx h ILE 984 Ca -0.06 -0.35 0.05 0.00 -0.00 0.00 0.00 64.86 64.50 1qvx h ILE 984 Cb 1.28 0.05 -0.05 0.00 -0.00 0.00 0.00 36.82 38.10 1qvx h ILE 984 CO 0.12 0.19 0.39 -0.33 -0.00 0.00 0.00 178.15 178.52 1qvx h GLU 985 N 1.03 0.70 -0.17 2.19 4.39 -1.57 0.40 114.58 121.55 1qvx h GLU 985 Ca 0.30 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1qvx h GLU 985 Cb -0.05 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1qvx h GLU 985 CO -0.08 0.47 0.07 0.00 -1.16 0.00 0.00 179.01 178.31 1qvx h MET 986 N 0.72 0.25 0.14 2.33 -0.00 -0.86 -2.85 114.93 114.67 1qvx h MET 986 Ca 0.29 -0.04 -0.21 0.00 -0.00 0.00 0.00 59.70 59.73 1qvx h MET 986 Cb 0.14 -0.04 0.02 0.00 -0.00 0.00 0.00 31.60 31.72 1qvx h MET 986 CO -0.16 0.32 -0.92 0.00 -0.00 0.00 0.00 176.91 176.15 1qvx h ALA 987 N 0.92 -0.08 -0.40 -3.00 0.00 -1.23 -2.89 119.26 112.58 1qvx h ALA 987 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1qvx h ALA 987 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 987 CO -0.01 0.44 0.26 0.37 0.00 0.00 0.00 179.25 180.31 1qvx h GLN 988 N -0.23 0.53 -0.06 0.00 4.15 -0.27 0.73 115.11 119.96 1qvx h GLN 988 Ca -0.16 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.15 1qvx h GLN 988 Cb 1.71 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 1qvx h GLN 988 CO 0.17 0.36 -0.30 -0.22 -1.93 0.00 0.00 178.83 176.92 1qvx h LYS 989 N 0.54 0.11 -0.61 1.69 3.64 -1.64 -1.80 116.57 118.50 1qvx h LYS 989 Ca 0.15 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 989 Cb -0.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1qvx h LYS 989 CO -0.03 0.40 0.03 1.25 -2.27 0.00 0.00 179.45 178.83 1qvx h LEU 990 N 0.10 1.03 0.48 5.20 5.85 -0.91 -2.65 115.31 124.41 1qvx h LEU 990 Ca 0.01 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1qvx h LEU 990 Cb 0.58 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1qvx h LEU 990 CO 0.04 1.07 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.82 1qvx h LEU 991 N 0.96 -0.82 -1.82 2.25 3.38 0.12 -1.71 115.31 117.66 1qvx h LEU 991 Ca 0.18 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.31 1qvx h LEU 991 Cb 0.52 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1qvx h LEU 991 CO 0.03 -0.50 0.35 -1.13 0.09 0.00 0.00 178.44 177.28 1qvx h ASN 992 N -0.78 0.18 0.30 -0.43 -0.73 -1.38 0.38 115.58 113.12 1qvx h ASN 992 Ca -0.05 0.01 -0.23 0.00 1.87 0.00 0.00 56.30 57.89 1qvx h ASN 992 Cb 0.65 -0.03 0.01 0.00 0.27 0.00 0.00 38.32 39.21 1qvx h ASN 992 CO 0.04 0.11 -0.97 0.28 -0.37 0.00 0.00 177.43 176.51 1qvx h SER 993 N 0.20 0.58 0.00 1.15 0.02 -1.05 -2.93 113.55 111.52 1qvx h SER 993 Ca 0.24 -0.47 -0.33 0.00 -0.84 0.00 0.00 61.79 60.39 1qvx h SER 993 Cb 0.69 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 1qvx h SER 993 CO -0.04 1.27 -2.22 0.47 -1.14 0.00 0.00 176.83 175.17 1qvx n ASP 994 N -3.75 0.87 -0.33 3.07 8.00 -0.60 -2.81 116.55 121.01 1qvx n ASP 994 Ca -0.07 -0.02 -0.02 0.00 0.71 0.00 0.00 54.79 55.39 1qvx n ASP 994 Cb 0.85 0.75 0.10 0.00 -0.02 0.00 0.00 41.12 42.80 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N 0.00 0.99 -0.42 0.64 7.12 -0.47 -1.21 115.31 121.97 1qvx h LEU 995 Ca -0.48 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.48 1qvx h LEU 995 Cb 2.05 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.92 1qvx h LEU 995 CO 0.01 0.70 0.15 0.00 -0.13 0.00 0.00 178.44 179.17 1qvx h ALA 996 N 1.34 0.55 -0.79 1.25 0.00 -1.65 -0.29 119.26 119.67 1qvx h ALA 996 Ca 0.34 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1qvx h ALA 996 Cb -0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 1qvx h ALA 996 CO -0.09 0.17 0.39 0.93 0.00 0.00 0.00 179.25 180.65 1qvx h GLU 997 N 0.53 0.58 0.00 0.00 4.39 -1.32 0.47 114.58 119.24 1qvx h GLU 997 Ca 0.14 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1qvx h GLU 997 Cb 0.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1qvx h GLU 997 CO -0.01 0.39 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.83 1qvx h LEU 998 N 0.60 0.00 -0.42 1.33 3.38 -0.48 0.46 115.31 120.18 1qvx h LEU 998 Ca 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.31 1qvx h LEU 998 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1qvx h LEU 998 CO -0.33 0.33 -0.00 0.40 0.09 0.00 0.00 178.44 178.93 1qvx h ILE 999 N 0.00 1.26 0.00 1.22 1.08 0.75 0.46 117.51 122.28 1qvx h ILE 999 Ca -0.00 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1qvx h ILE 999 Cb 0.61 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1qvx h ILE 999 CO 0.04 0.35 0.00 0.78 -0.69 0.00 0.00 178.15 178.63 1qvx h ASN 1000N 0.57 0.00 0.32 1.72 2.35 -0.45 -1.47 115.58 118.61 1qvx h ASN 1000Ca 0.12 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.54 1qvx h ASN 1000Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1qvx h ASN 1000CO 0.02 0.00 -1.73 0.11 -1.65 0.00 0.00 177.43 174.18 1qvx h LYS 1001N 0.00 0.24 -0.61 0.81 6.56 0.45 0.97 116.57 124.99 1qvx h LYS 1001Ca 0.00 -0.41 -0.09 0.00 -1.06 0.00 0.00 60.65 59.09 1qvx h LYS 1001Cb 0.73 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.52 1qvx h LYS 1001CO 0.00 1.08 0.04 0.00 -2.06 0.00 0.00 179.45 178.51 1qvx h MET 1002N 0.07 1.05 0.29 3.15 -0.00 -0.14 0.11 114.93 119.46 1qvx h MET 1002Ca -0.32 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.70 59.06 1qvx h MET 1002Cb 2.04 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 33.53 1qvx h MET 1002CO 0.13 1.00 -0.14 -0.22 -0.00 0.00 0.00 176.91 177.68 1qvx h LYS 1003N 0.97 -0.38 -0.23 -0.10 3.64 -1.31 -1.94 116.57 117.21 1qvx h LYS 1003Ca 0.18 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1qvx h LYS 1003Cb 0.51 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 1qvx h LYS 1003CO 0.02 -0.17 -0.40 1.25 -2.27 0.00 0.00 179.45 177.89 1qvx h LEU 1004N -0.52 -1.27 -0.45 5.20 5.85 0.12 1.31 115.31 125.55 1qvx h LEU 1004Ca -0.04 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1qvx h LEU 1004Cb 0.39 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1qvx h LEU 1004CO 0.07 -0.39 0.27 0.00 -0.34 0.00 0.00 178.44 178.04 1qvx h ALA 1005N 0.32 0.58 0.00 1.25 0.00 -0.80 -0.03 119.26 120.58 1qvx h ALA 1005Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 1005Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qvx h ALA 1005CO -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1qvx n GLN 1006N -4.83 0.05 0.13 0.00 -0.00 -0.73 -0.81 117.38 111.18 1qvx n GLN 1006Ca 0.02 0.13 -0.24 0.00 -0.00 0.00 0.00 57.00 56.91 1qvx n GLN 1006Cb 0.07 -1.57 -0.16 0.00 -0.00 0.00 0.00 30.24 28.58 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 0.50 -0.15 2.61 5.75 0.36 -3.30 115.11 120.88 1qvx h GLN 1007Ca 0.00 -0.85 -0.03 0.00 -0.15 0.00 0.00 58.65 57.62 1qvx h GLN 1007Cb 0.46 0.32 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1qvx h GLN 1007CO 0.00 1.41 -0.06 0.66 -2.65 0.00 0.00 178.83 178.19 1qvx n TYR 1008N -3.72 0.51 -0.71 3.99 4.01 -0.66 -5.05 117.16 115.52 1qvx n TYR 1008Ca -0.19 -1.09 -0.29 0.00 -0.16 0.00 0.00 57.90 56.17 1qvx n TYR 1008Cb 1.08 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.80 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1qvx n VAL 1009N -1.02 0.00 0.00 -0.72 3.14 0.01 -4.54 118.33 115.19 1qvx n VAL 1009Ca 0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1qvx n VAL 1009Cb 0.80 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1qvx n VAL 1009CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1qvx n MET 1010N 2.27 0.00 -1.76 1.45 0.00 -1.26 -5.01 117.12 112.81 1qvx n MET 1010Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.86 1qvx n MET 1010Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.20 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1qvx n THR 1011N -1.93 -3.13 0.00 1.12 -1.04 -1.26 -4.36 114.28 103.68 1qvx n THR 1011Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1qvx n THR 1011Cb 0.00 -4.35 0.00 0.00 -1.82 0.00 0.00 70.33 64.16 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qvx n SER 1012N -0.81 0.00 0.18 8.00 7.64 -1.26 -4.11 113.62 123.26 1qvx n SER 1012Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.02 1qvx n SER 1012Cb 0.30 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.16 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1qvx h LEU 1013N 0.00 0.00 -0.69 -3.43 -0.00 -1.92 -2.97 115.31 106.30 1qvx h LEU 1013Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 1qvx h LEU 1013Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 1qvx h LEU 1013CO 0.00 0.00 0.28 -0.61 -0.00 0.00 0.00 178.44 178.11 1qvx h GLN 1014N 0.00 0.45 -0.74 1.13 -0.00 -1.76 -2.29 115.11 111.90 1qvx h GLN 1014Ca 0.00 -0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.75 1qvx h GLN 1014Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.39 1qvx h GLN 1014CO 0.00 0.30 0.49 1.96 0.00 0.00 0.00 178.83 181.58 1qvx h GLN 1015N 0.46 0.48 -0.58 1.69 4.20 -1.90 0.88 115.11 120.34 1qvx h GLN 1015Ca 0.36 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.16 1qvx h GLN 1015Cb 0.48 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.04 1qvx h GLN 1015CO -0.34 0.32 -0.16 1.49 -0.67 0.00 0.00 178.83 179.46 1qvx h GLU 1016N 0.50 -0.02 0.00 1.46 4.57 -1.66 0.55 114.58 119.98 1qvx h GLU 1016Ca 0.36 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1qvx h GLU 1016Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1qvx h GLU 1016CO -0.12 -0.01 -0.01 1.88 -1.18 0.00 0.00 179.01 179.57 1qvx h TYR 1017N -0.02 0.00 -0.07 0.92 0.05 0.52 0.15 116.97 118.52 1qvx h TYR 1017Ca 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.91 1qvx h TYR 1017Cb 0.44 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1qvx h TYR 1017CO -0.50 0.01 -0.63 -0.22 -1.05 0.00 0.00 178.16 175.77 1qvx h LYS 1018N 0.00 0.27 0.19 4.88 3.64 0.42 -2.01 116.57 123.95 1qvx h LYS 1018Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1qvx h LYS 1018Cb 0.95 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1qvx h LYS 1018CO 0.00 0.81 -0.09 0.87 -2.27 0.00 0.00 179.45 178.77 1qvx h LYS 1019N 0.19 -0.25 -0.93 1.90 1.79 0.12 -0.62 116.57 118.78 1qvx h LYS 1019Ca -0.01 0.02 0.26 0.00 -2.18 0.00 0.00 60.65 58.73 1qvx h LYS 1019Cb 1.15 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.81 1qvx h LYS 1019CO 0.10 0.08 0.65 1.96 -1.08 0.00 0.00 179.45 181.16 1qvx h GLN 1020N -0.98 0.12 -0.21 3.15 4.20 -1.14 0.17 115.11 120.43 1qvx h GLN 1020Ca -0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1qvx h GLN 1020Cb 0.44 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1qvx h GLN 1020CO 0.04 0.08 -0.07 1.98 -0.67 0.00 0.00 178.83 180.19 1qvx h MET 1021N 0.13 0.41 -0.96 1.46 4.05 -1.25 -2.02 114.93 116.75 1qvx h MET 1021Ca 0.46 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1qvx h MET 1021Cb 1.62 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 32.35 1qvx h MET 1021CO -0.07 0.68 0.60 -0.07 0.23 0.00 0.00 176.91 178.28 1qvx h LEU 1022N 0.13 1.14 -1.37 3.39 3.38 0.84 0.50 115.31 123.31 1qvx h LEU 1022Ca 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1qvx h LEU 1022Cb 0.54 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1qvx h LEU 1022CO 0.02 0.85 0.09 0.74 0.09 0.00 0.00 178.44 180.23 1qvx h THR 1023N 1.32 1.16 0.13 0.22 2.02 -0.78 0.35 112.91 117.33 1qvx h THR 1023Ca 0.35 -0.58 -0.25 0.00 0.77 0.00 0.00 66.41 66.70 1qvx h THR 1023Cb -0.09 0.80 0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1qvx h THR 1023CO -0.07 0.21 -1.05 0.00 0.37 0.00 0.00 175.52 174.98 1qvx h ALA 1024N 1.60 -0.04 -0.75 6.16 0.00 -0.49 -2.31 119.26 123.41 1qvx h ALA 1024Ca 0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1qvx h ALA 1024Cb 0.19 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1qvx h ALA 1024CO -0.00 0.54 0.38 0.00 0.00 0.00 0.00 179.25 180.17 1qvx h ALA 1025N 0.21 1.26 -0.09 0.00 0.00 0.21 0.39 119.26 121.24 1qvx h ALA 1025Ca -0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1qvx h ALA 1025Cb 1.78 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1qvx h ALA 1025CO 0.20 0.58 -0.06 1.25 0.00 0.00 0.00 179.25 181.22 1qvx h HIS 1026N 1.06 0.24 -0.46 0.00 6.17 -0.99 0.04 115.15 121.21 1qvx h HIS 1026Ca 0.26 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.27 1qvx h HIS 1026Cb 0.07 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 29.93 1qvx h HIS 1026CO 0.01 0.60 0.24 0.00 0.71 0.00 0.00 177.93 179.49 1qvx h ALA 1027N 0.60 1.56 0.00 5.26 0.00 -1.10 0.54 119.26 126.13 1qvx h ALA 1027Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1027Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 1027CO 0.02 0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.88 1qvx h LEU 1028N 0.64 -0.00 -1.25 0.00 6.46 -0.09 0.23 115.31 121.29 1qvx h LEU 1028Ca 0.16 -0.15 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1qvx h LEU 1028Cb 0.04 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.90 1qvx h LEU 1028CO -0.03 0.15 0.56 0.00 -0.62 0.00 0.00 178.44 178.51 1qvx h ALA 1029N 0.83 1.71 -0.03 1.25 0.00 -0.21 0.16 119.26 122.98 1qvx h ALA 1029Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1qvx h ALA 1029Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qvx h ALA 1029CO 0.00 0.10 -0.37 0.28 0.00 0.00 0.00 179.25 179.26 1qvx h VAL 1030N 0.80 1.27 -0.05 0.00 2.07 -0.43 0.22 116.25 120.14 1qvx h VAL 1030Ca 0.41 -1.30 -0.25 0.00 0.82 0.00 0.00 66.70 66.38 1qvx h VAL 1030Cb 0.49 1.66 0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1qvx h VAL 1030CO -0.18 0.38 -0.95 -2.24 0.02 0.00 0.00 177.57 174.60 1qvx h ASP 1031N 0.05 0.87 0.29 0.57 3.04 0.13 0.17 116.42 121.54 1qvx h ASP 1031Ca 0.00 -0.66 -0.01 0.00 -3.24 0.00 0.00 57.03 53.12 1qvx h ASP 1031Cb 0.67 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 1qvx h ASP 1031CO 0.05 1.46 -0.14 0.00 -2.04 0.00 0.00 179.24 178.57 1qvx h ALA 1032N 0.50 -0.39 -0.87 4.15 0.00 -0.89 -1.51 119.26 120.26 1qvx h ALA 1032Ca -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 1032Cb 1.59 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1qvx h ALA 1032CO 0.19 -0.66 0.45 0.87 0.00 0.00 0.00 179.25 180.10 1qvx h LYS 1033N -0.50 1.22 -0.37 0.00 1.57 -0.53 0.70 116.57 118.66 1qvx h LYS 1033Ca -0.04 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 1qvx h LYS 1033Cb 0.37 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1qvx h LYS 1033CO 0.06 0.91 -0.29 -0.97 -0.57 0.00 0.00 179.45 178.60 1qvx h ASN 1034N 1.22 0.83 1.28 0.86 -1.24 -0.64 -2.81 115.58 115.08 1qvx h ASN 1034Ca 0.30 -0.33 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 1qvx h ASN 1034Cb 0.06 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 1qvx h ASN 1034CO -0.04 1.06 -0.56 0.25 -1.29 0.00 0.00 177.43 176.85 1qvx h LEU 1035N 0.68 0.00 -0.84 0.34 5.85 -0.73 0.61 115.31 121.23 1qvx h LEU 1035Ca 0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 1035Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1qvx h LEU 1035CO 0.07 0.56 -0.11 0.17 -0.34 0.00 0.00 178.44 178.79 1qvx h LEU 1036N 0.00 0.00 0.08 2.25 8.10 -0.77 0.80 115.31 125.78 1qvx h LEU 1036Ca -0.01 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.83 1qvx h LEU 1036Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.57 1qvx h LEU 1036CO 0.07 0.11 -0.74 0.44 -4.11 0.00 0.00 178.44 174.21 1qvx h ASP 1037N 0.00 0.27 -0.09 0.17 3.32 -1.27 -1.66 116.42 117.15 1qvx h ASP 1037Ca -0.00 -0.90 0.04 0.00 0.02 0.00 0.00 57.03 56.19 1qvx h ASP 1037Cb 0.79 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 1qvx h ASP 1037CO 0.01 1.33 -0.41 0.58 -1.72 0.00 0.00 179.24 179.03 1qvx h VAL 1038N -0.61 0.16 -0.10 -1.35 2.07 -0.50 0.33 116.25 116.25 1qvx h VAL 1038Ca -0.15 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1qvx h VAL 1038Cb 1.44 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1qvx h VAL 1038CO 0.05 0.00 -0.73 0.40 0.02 0.00 0.00 177.57 177.31 1qvx h ILE 1039N -0.51 1.36 -0.70 4.57 2.04 0.46 0.81 117.51 125.53 1qvx h ILE 1039Ca 0.07 -2.09 0.14 0.00 1.00 0.00 0.00 64.86 63.97 1qvx h ILE 1039Cb 0.63 2.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.69 1qvx h ILE 1039CO -0.37 0.64 0.22 -0.78 0.00 0.00 0.00 178.15 177.85 1qvx h ASP 1040N 0.33 0.13 0.67 1.72 1.82 -1.11 0.17 116.42 120.15 1qvx h ASP 1040Ca -0.03 0.12 -0.12 0.00 -0.39 0.00 0.00 57.03 56.60 1qvx h ASP 1040Cb 1.31 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.44 1qvx h ASP 1040CO 0.13 0.04 -0.59 1.56 -1.61 0.00 0.00 179.24 178.77 1qvx h GLN 1041N 0.34 0.00 0.28 0.28 4.20 0.35 -3.01 115.11 117.54 1qvx h GLN 1041Ca 0.38 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.10 1qvx h GLN 1041Cb 0.60 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1qvx h GLN 1041CO -0.43 0.59 -0.43 0.00 -0.67 0.00 0.00 178.83 177.88 1qvx h ALA 1042N 1.41 -0.87 -0.04 3.87 0.00 0.26 1.82 119.26 125.72 1qvx h ALA 1042Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qvx h ALA 1042Cb 1.08 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1qvx h ALA 1042CO 0.08 -1.04 0.03 -0.09 0.00 0.00 0.00 179.25 178.23 1qvx h ARG 1043N -0.77 0.00 0.00 0.00 9.65 -1.35 0.32 114.38 122.23 1qvx h ARG 1043Ca -0.01 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 1qvx h ARG 1043Cb 0.73 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1qvx h ARG 1043CO -0.16 0.00 -0.51 1.25 2.80 0.00 0.00 179.97 183.36 1qvx h LEU 1044N 0.00 0.00 -1.35 3.80 5.85 -1.08 -2.98 115.31 119.55 1qvx h LEU 1044Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1qvx h LEU 1044Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1qvx h LEU 1044CO -0.00 0.51 0.00 0.11 -0.34 0.00 0.00 178.44 178.72 1qvx h LYS 1045N 0.00 0.43 -0.45 1.25 1.79 0.67 0.48 116.57 120.73 1qvx h LYS 1045Ca -0.01 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1qvx h LYS 1045Cb 1.26 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1qvx h LYS 1045CO 0.07 0.46 0.10 1.98 -1.08 0.00 0.00 179.45 180.98 1qvx h MET 1046N 0.42 0.73 -0.66 3.15 4.05 -1.17 -1.87 114.93 119.58 1qvx h MET 1046Ca 0.09 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1qvx h MET 1046Cb 0.27 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1qvx h MET 1046CO 0.01 0.73 0.40 0.82 0.23 0.00 0.00 176.91 179.10 1qvx h ILE 1047N 0.61 1.19 -0.58 1.77 1.08 -1.23 0.28 117.51 120.63 1qvx h ILE 1047Ca 0.14 -0.42 0.17 0.00 -0.39 0.00 0.00 64.86 64.36 1qvx h ILE 1047Cb 0.34 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1qvx h ILE 1047CO 0.00 0.20 0.43 0.28 -0.69 0.00 0.00 178.15 178.37 1qvx h SER 1048N 0.90 0.00 0.00 1.72 0.02 0.53 -2.13 113.55 114.59 1qvx h SER 1048Ca 0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.01 1qvx h SER 1048Cb -0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1qvx h SER 1048CO -0.04 0.00 -1.73 0.00 -1.14 0.00 0.00 176.83 173.91 1qvx n GLN 1049N -4.30 1.89 0.24 3.45 1.13 -0.76 -4.52 117.38 114.51 1qvx n GLN 1049Ca 0.11 -0.02 0.13 0.00 -1.94 0.00 0.00 57.00 55.27 1qvx n GLN 1049Cb 0.67 -1.29 0.47 0.00 0.11 0.00 0.00 30.24 30.20 1qvx n GLN 1049CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qvx h SER 1050N 0.00 0.00 -3.52 1.08 0.87 -0.16 -3.41 113.55 108.41 1qvx h SER 1050Ca -0.26 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.71 1qvx h SER 1050Cb 1.52 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 63.09 1qvx h SER 1050CO 0.01 0.12 -0.77 -0.60 -0.53 0.00 0.00 176.83 175.06 1qvx s ARG 1051N -3.54 1.33 0.14 2.24 6.06 -0.83 -4.97 118.95 119.38 1qvx s ARG 1051Ca 0.02 -0.95 -0.11 0.00 -2.50 0.00 0.00 55.73 52.20 1qvx s ARG 1051Cb 0.09 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.58 1qvx s ARG 1051CO 0.61 -0.67 1.45 -1.35 -2.50 0.00 0.00 175.30 172.85 1qvx h PRO 1052N 8.00 0.90 0.00 5.12 0.11 -1.87 -3.45 132.00 140.81 1qvx h PRO 1052Ca -0.16 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1qvx h PRO 1052Cb 1.07 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qvx h PRO 1052CO 0.41 1.16 0.00 1.58 -0.21 0.00 0.00 178.00 180.94