#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvx s SER 921 N 0.00 6.90 -0.90 6.15 0.15 -1.26 -4.86 113.70 119.88 1qvx s SER 921 Ca 0.00 2.56 -0.18 0.00 0.70 0.00 0.00 55.95 59.03 1qvx s SER 921 Cb 0.00 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.56 1qvx s SER 921 CO 0.00 -0.45 2.02 0.59 1.20 0.00 0.00 173.24 176.60 1qvx n ASN 922 N 1.18 3.26 -3.21 5.45 4.13 -1.26 -4.89 115.26 119.91 1qvx n ASN 922 Ca 0.01 -2.63 -0.05 0.00 1.68 0.00 0.00 54.58 53.59 1qvx n ASN 922 Cb 0.43 -1.18 0.05 0.00 -1.54 0.00 0.00 39.78 37.53 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 6.61 -1.61 0.31 6.41 2.03 -1.26 -3.34 116.55 125.69 1qvx n ASP 923 Ca 0.49 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1qvx n ASP 923 Cb 0.35 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -0.67 0.03 0.35 -0.67 0.00 -1.26 -0.20 118.16 115.74 1qvx n LYS 924 Ca 0.02 0.89 -0.17 0.00 0.00 0.00 0.00 58.31 59.05 1qvx n LYS 924 Cb 0.09 -2.46 -0.09 0.00 0.00 0.00 0.00 35.03 32.57 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 0.02 3.15 -1.51 -1.84 -1.36 116.25 115.02 1qvx h VAL 925 Ca 0.00 -0.14 -0.21 0.00 -1.23 0.00 0.00 66.70 65.12 1qvx h VAL 925 Cb 1.90 0.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1qvx h VAL 925 CO 0.00 0.02 -1.00 0.22 -1.23 0.00 0.00 177.57 175.57 1qvx h TYR 926 N -0.98 0.13 0.93 5.19 3.20 -0.61 -3.15 116.97 121.67 1qvx h TYR 926 Ca -0.09 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1qvx h TYR 926 Cb 0.70 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.98 1qvx h TYR 926 CO -0.01 1.02 -0.45 0.93 -1.64 0.00 0.00 178.16 178.02 1qvx h GLU 927 N 0.03 -1.20 -0.04 1.82 4.39 -1.43 -1.95 114.58 116.21 1qvx h GLU 927 Ca -0.04 0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1qvx h GLU 927 Cb 1.73 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1qvx h GLU 927 CO 0.14 -0.80 -0.71 -0.97 -1.16 0.00 0.00 179.01 175.51 1qvx h ASN 928 N -1.29 0.24 -0.56 1.42 -1.24 -1.37 -0.94 115.58 111.85 1qvx h ASN 928 Ca -0.13 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.69 1qvx h ASN 928 Cb 0.96 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 1qvx h ASN 928 CO 0.21 0.87 0.24 1.62 -1.29 0.00 0.00 177.43 179.08 1qvx h VAL 929 N 0.14 1.21 -0.23 2.57 3.04 -1.57 0.13 116.25 121.53 1qvx h VAL 929 Ca -0.02 -0.67 -0.08 0.00 -1.01 0.00 0.00 66.70 64.91 1qvx h VAL 929 Cb 1.27 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1qvx h VAL 929 CO 0.11 0.27 -0.22 0.74 -1.01 0.00 0.00 177.57 177.46 1qvx h THR 930 N 0.86 1.25 -0.26 3.17 2.02 -1.05 -2.10 112.91 116.79 1qvx h THR 930 Ca 0.20 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.27 1qvx h THR 930 Cb 0.17 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1qvx h THR 930 CO -0.02 0.37 0.18 1.23 0.37 0.00 0.00 175.52 177.65 1qvx h GLY 931 N 0.98 0.16 1.01 2.16 0.00 0.51 0.55 103.07 108.44 1qvx h GLY 931 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qvx h GLY 931 CO 0.04 0.04 0.29 -2.00 0.00 0.00 0.00 176.54 174.91 1qvx h LEU 932 N 0.13 0.92 -0.60 3.11 5.85 -0.15 -0.03 115.31 124.54 1qvx h LEU 932 Ca 0.12 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1qvx h LEU 932 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1qvx h LEU 932 CO -0.02 0.83 0.29 0.58 -0.34 0.00 0.00 178.44 179.78 1qvx h VAL 933 N 0.95 1.21 -0.94 1.05 2.07 -0.99 -1.35 116.25 118.25 1qvx h VAL 933 Ca 0.23 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1qvx h VAL 933 Cb 0.18 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1qvx h VAL 933 CO -0.02 0.24 0.58 0.11 0.02 0.00 0.00 177.57 178.50 1qvx h LYS 934 N 0.82 0.97 -0.02 1.57 1.79 -0.42 0.10 116.57 121.39 1qvx h LYS 934 Ca 0.21 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.45 1qvx h LYS 934 Cb 0.11 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1qvx h LYS 934 CO -0.03 0.64 -0.74 0.00 -1.08 0.00 0.00 179.45 178.24 1qvx h ALA 935 N 1.47 0.72 0.00 3.86 0.00 -0.61 0.13 119.26 124.84 1qvx h ALA 935 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 935 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qvx h ALA 935 CO -0.22 0.86 0.00 -0.24 0.00 0.00 0.00 179.25 179.65 1qvx h VAL 936 N 0.08 0.00 -0.16 0.00 3.04 -0.60 0.32 116.25 118.93 1qvx h VAL 936 Ca -0.02 -0.59 -0.16 0.00 -1.01 0.00 0.00 66.70 64.92 1qvx h VAL 936 Cb 1.31 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 1qvx h VAL 936 CO 0.11 0.00 -0.52 0.40 -1.01 0.00 0.00 177.57 176.55 1qvx h ILE 937 N 0.00 1.33 -0.88 3.17 1.08 -0.16 -2.98 117.51 119.07 1qvx h ILE 937 Ca 0.00 -1.77 0.13 0.00 -0.39 0.00 0.00 64.86 62.83 1qvx h ILE 937 Cb 0.73 2.00 -0.07 0.00 -3.07 0.00 0.00 36.82 36.41 1qvx h ILE 937 CO 0.00 0.55 0.57 -0.33 -0.69 0.00 0.00 178.15 178.25 1qvx h GLU 938 N 0.30 0.69 -0.48 2.37 5.08 0.08 0.36 114.58 122.98 1qvx h GLU 938 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1qvx h GLU 938 Cb 1.14 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1qvx h GLU 938 CO 0.11 0.46 0.26 1.98 -1.00 0.00 0.00 179.01 180.81 1qvx h MET 939 N 0.71 0.49 -0.06 2.33 4.05 -0.89 0.27 114.93 121.84 1qvx h MET 939 Ca 0.44 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.67 1qvx h MET 939 Cb 0.66 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1qvx h MET 939 CO -0.20 0.33 -0.64 1.03 0.23 0.00 0.00 176.91 177.66 1qvx h SER 940 N 0.51 0.28 0.03 1.39 0.87 -0.97 -2.49 113.55 113.17 1qvx h SER 940 Ca 0.20 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1qvx h SER 940 Cb 0.08 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1qvx h SER 940 CO -0.12 0.84 -0.37 0.28 -0.53 0.00 0.00 176.83 176.93 1qvx h SER 941 N 0.17 0.27 1.50 6.23 0.02 0.31 -2.82 113.55 119.24 1qvx h SER 941 Ca -0.01 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1qvx h SER 941 Cb 1.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1qvx h SER 941 CO 0.10 1.10 0.00 0.07 -1.14 0.00 0.00 176.83 176.96 1qvx h LYS 942 N -0.53 0.00 0.00 3.45 5.09 -0.58 -2.11 116.57 121.89 1qvx h LYS 942 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.57 1qvx h LYS 942 Cb 1.19 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.50 1qvx h LYS 942 CO 0.07 0.00 -0.53 0.97 -2.09 0.00 0.00 179.45 177.87 1qvx h ILE 943 N 0.00 0.95 -0.25 0.07 2.10 -1.47 -3.21 117.51 115.70 1qvx h ILE 943 Ca 0.00 -2.25 0.06 0.00 1.08 0.00 0.00 64.86 63.75 1qvx h ILE 943 Cb 0.75 2.40 -0.07 0.00 -1.09 0.00 0.00 36.82 38.81 1qvx h ILE 943 CO 0.00 0.52 -0.27 1.56 -1.08 0.00 0.00 178.15 178.88 1qvx h GLN 944 N 0.00 -0.27 -0.88 2.19 1.08 -1.11 -2.64 115.11 113.49 1qvx h GLN 944 Ca -0.01 0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.65 1qvx h GLN 944 Cb 1.36 0.06 -0.29 0.00 -0.05 0.00 0.00 27.48 28.56 1qvx h GLN 944 CO 0.07 -0.18 0.47 -0.35 -0.95 0.00 0.00 178.83 177.89 1qvx n PRO 945 N -5.39 2.60 -4.08 1.46 -0.04 -1.25 -5.01 135.00 123.29 1qvx n PRO 945 Ca -0.01 -3.33 -0.10 0.00 -0.04 0.00 0.00 63.50 60.02 1qvx n PRO 945 Cb 0.31 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.46 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 -3.60 0.54 0.69 0.55 0.00 -1.00 -5.10 121.76 113.85 1qvx s ALA 946 Ca 0.58 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1qvx s ALA 946 Cb 0.48 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.87 1qvx s ALA 946 CO 0.03 -0.21 0.73 -0.35 0.00 0.00 0.00 175.76 175.95 1qvx n PRO 947 N 0.71 -0.05 -0.17 0.00 -0.04 -1.26 -4.87 135.00 129.31 1qvx n PRO 947 Ca -0.18 -1.81 0.24 0.00 -0.04 0.00 0.00 63.50 61.71 1qvx n PRO 947 Cb 0.58 -0.54 0.64 0.00 -0.04 0.00 0.00 33.50 34.15 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1qvx h PRO 948 N 0.00 0.14 -0.85 0.54 0.11 -1.98 0.35 132.00 130.31 1qvx h PRO 948 Ca -0.24 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.01 1qvx h PRO 948 Cb 0.84 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 1qvx h PRO 948 CO 0.24 0.09 0.55 0.93 -0.21 0.00 0.00 178.00 179.61 1qvx h GLU 949 N 0.15 0.57 -0.03 1.05 5.08 -1.98 0.20 114.58 119.62 1qvx h GLU 949 Ca 0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1qvx h GLU 949 Cb 1.41 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1qvx h GLU 949 CO -0.07 0.38 0.00 0.39 -1.00 0.00 0.00 179.01 178.71 1qvx n GLU 950 N -4.53 2.24 -0.30 2.33 4.71 0.08 -4.04 120.64 121.13 1qvx n GLU 950 Ca 0.17 -1.81 -0.05 0.00 -0.01 0.00 0.00 57.16 55.46 1qvx n GLU 950 Cb 0.50 -1.46 0.07 0.00 -1.01 0.00 0.00 31.44 29.54 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 4.39 1.10 0.03 -0.32 0.05 -0.23 0.31 116.97 122.30 1qvx h TYR 951 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1qvx h TYR 951 Cb 0.93 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1qvx h TYR 951 CO 0.00 0.75 -0.02 -0.24 -1.05 0.00 0.00 178.16 177.61 1qvx h VAL 952 N 1.13 1.40 -0.91 -2.88 3.04 -1.70 -3.16 116.25 113.17 1qvx h VAL 952 Ca 0.29 -1.64 0.22 0.00 -1.01 0.00 0.00 66.70 64.56 1qvx h VAL 952 Cb -0.00 2.45 -0.06 0.00 -2.01 0.00 0.00 31.29 31.67 1qvx h VAL 952 CO -0.05 0.40 0.61 -0.65 -1.01 0.00 0.00 177.57 176.87 1qvx h PRO 953 N -0.79 0.29 -0.22 4.17 0.11 -1.68 -0.33 132.00 133.54 1qvx h PRO 953 Ca -0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1qvx h PRO 953 Cb 0.69 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1qvx h PRO 953 CO 0.01 0.19 -0.06 0.00 -0.21 0.00 0.00 178.00 177.93 1qvx h MET 954 N 0.30 0.43 0.00 1.05 -0.00 -0.45 -1.86 114.93 114.40 1qvx h MET 954 Ca 0.47 -0.17 -0.04 0.00 -0.00 0.00 0.00 59.70 59.96 1qvx h MET 954 Cb 1.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.90 1qvx h MET 954 CO -0.14 0.67 -0.17 0.28 -0.00 0.00 0.00 176.91 177.55 1qvx h VAL 955 N 0.16 0.83 -0.73 -0.10 2.07 -1.38 -1.42 116.25 115.69 1qvx h VAL 955 Ca 0.06 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1qvx h VAL 955 Cb 0.52 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1qvx h VAL 955 CO 0.02 0.16 0.48 0.50 0.02 0.00 0.00 177.57 178.76 1qvx h LYS 956 N 0.00 0.91 -0.56 1.57 3.64 -0.31 0.29 116.57 122.11 1qvx h LYS 956 Ca -0.00 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 956 Cb 0.36 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1qvx h LYS 956 CO 0.02 0.60 0.21 0.93 -2.27 0.00 0.00 179.45 178.94 1qvx h GLU 957 N 0.93 0.38 -0.24 1.90 4.39 -0.49 0.99 114.58 122.45 1qvx h GLU 957 Ca 0.28 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 1qvx h GLU 957 Cb -0.03 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1qvx h GLU 957 CO -0.07 0.25 -0.44 0.28 -1.16 0.00 0.00 179.01 177.87 1qvx h VAL 958 N 0.39 1.30 -0.24 3.13 2.07 -1.11 -2.50 116.25 119.29 1qvx h VAL 958 Ca 0.27 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 1qvx h VAL 958 Cb 0.31 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1qvx h VAL 958 CO -0.27 0.51 -0.17 1.23 0.02 0.00 0.00 177.57 178.90 1qvx h GLY 959 N 1.04 0.59 1.77 2.17 0.00 0.38 0.47 103.07 109.49 1qvx h GLY 959 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1qvx h GLY 959 CO 0.09 0.51 0.08 1.41 0.00 0.00 0.00 176.54 178.63 1qvx h LEU 960 N 0.25 0.27 0.51 3.11 3.38 -0.91 0.09 115.31 122.01 1qvx h LEU 960 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1qvx h LEU 960 Cb 0.70 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1qvx h LEU 960 CO 0.05 0.26 -0.24 0.00 0.09 0.00 0.00 178.44 178.59 1qvx h ALA 961 N 1.79 -0.68 -0.39 1.53 0.00 -0.90 0.20 119.26 120.81 1qvx h ALA 961 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1qvx h ALA 961 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qvx h ALA 961 CO -0.01 -0.80 0.04 1.25 0.00 0.00 0.00 179.25 179.73 1qvx h LEU 962 N -0.84 0.55 0.53 0.00 7.12 -0.78 0.45 115.31 122.34 1qvx h LEU 962 Ca -0.07 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 1qvx h LEU 962 Cb 0.59 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1qvx h LEU 962 CO 0.11 0.60 -0.38 -0.09 -0.13 0.00 0.00 178.44 178.56 1qvx h ARG 963 N 0.57 -0.85 -0.48 1.25 9.65 -0.90 0.19 114.38 123.81 1qvx h ARG 963 Ca 0.12 0.06 0.12 0.00 -1.10 0.00 0.00 59.98 59.18 1qvx h ARG 963 Cb 0.31 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1qvx h ARG 963 CO 0.01 -0.57 0.34 1.15 2.80 0.00 0.00 179.97 183.70 1qvx h THR 964 N -0.88 0.81 -0.65 0.20 2.02 -0.19 0.42 112.91 114.64 1qvx h THR 964 Ca -0.06 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1qvx h THR 964 Cb 0.74 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1qvx h THR 964 CO 0.02 0.02 0.06 0.25 0.37 0.00 0.00 175.52 176.25 1qvx h LEU 965 N 0.12 1.06 -1.65 2.58 7.12 0.60 -2.24 115.31 122.90 1qvx h LEU 965 Ca 0.23 -0.27 0.14 0.00 0.13 0.00 0.00 57.88 58.10 1qvx h LEU 965 Cb 0.75 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 1qvx h LEU 965 CO -0.03 1.07 0.47 0.25 -0.13 0.00 0.00 178.44 180.08 1qvx h LEU 966 N 1.02 0.33 -0.34 2.25 6.46 0.16 0.50 115.31 125.69 1qvx h LEU 966 Ca 0.19 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.88 1qvx h LEU 966 Cb 0.49 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1qvx h LEU 966 CO 0.02 0.18 -0.13 0.00 -0.62 0.00 0.00 178.44 177.89 1qvx h ALA 967 N 1.67 0.47 -0.95 1.25 0.00 -1.24 -2.44 119.26 118.02 1qvx h ALA 967 Ca 0.34 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 967 Cb 0.82 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1qvx h ALA 967 CO -0.09 0.36 0.59 1.15 0.00 0.00 0.00 179.25 181.26 1qvx h THR 968 N 0.47 0.99 -0.67 0.00 2.02 -0.61 -0.20 112.91 114.91 1qvx h THR 968 Ca 0.08 -0.35 0.16 0.00 0.77 0.00 0.00 66.41 67.07 1qvx h THR 968 Cb 0.65 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1qvx h THR 968 CO 0.04 0.19 0.46 0.58 0.37 0.00 0.00 175.52 177.16 1qvx h VAL 969 N 1.02 0.75 -0.12 3.16 2.07 0.32 -0.70 116.25 122.74 1qvx h VAL 969 Ca 0.44 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.80 1qvx h VAL 969 Cb 0.31 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1qvx h VAL 969 CO -0.22 0.04 -0.36 -0.78 0.02 0.00 0.00 177.57 176.27 1qvx h ASP 970 N 0.19 0.25 0.28 0.57 3.58 -0.58 0.81 116.42 121.52 1qvx h ASP 970 Ca 0.32 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1qvx h ASP 970 Cb 0.99 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 1qvx h ASP 970 CO -0.06 0.59 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.41 1qvx h GLU 971 N 0.21 -0.39 0.00 0.28 4.39 -1.04 -2.63 114.58 115.40 1qvx h GLU 971 Ca 0.02 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1qvx h GLU 971 Cb 0.73 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1qvx h GLU 971 CO 0.06 -0.26 -0.06 1.03 -1.16 0.00 0.00 179.01 178.61 1qvx h SER 972 N -0.40 0.00 0.49 1.42 0.87 -0.96 -3.23 113.55 111.74 1qvx h SER 972 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1qvx h SER 972 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1qvx h SER 972 CO 0.05 0.06 -0.25 0.25 -0.53 0.00 0.00 176.83 176.42 1qvx h LEU 973 N 0.00 -0.59 -2.63 2.23 6.46 0.10 0.26 115.31 121.15 1qvx h LEU 973 Ca -0.00 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1qvx h LEU 973 Cb 0.32 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1qvx h LEU 973 CO 0.01 -0.41 0.06 1.55 -0.62 0.00 0.00 178.44 179.03 1qvx h PRO 974 N -0.67 0.00 0.00 5.25 0.13 -1.63 0.39 132.00 135.47 1qvx h PRO 974 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1qvx h PRO 974 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1qvx h PRO 974 CO 0.10 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.15 1qvx h VAL 975 N 0.00 0.00 -0.04 1.56 2.07 -0.96 -3.18 116.25 115.70 1qvx h VAL 975 Ca 0.01 -0.46 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 1qvx h VAL 975 Cb 0.14 1.36 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1qvx h VAL 975 CO -0.00 0.00 -0.84 0.17 0.02 0.00 0.00 177.57 176.92 1qvx h LEU 976 N 0.00 0.80 -1.64 2.57 8.10 0.31 0.30 115.31 125.74 1qvx h LEU 976 Ca 0.00 -0.71 -0.04 0.00 0.11 0.00 0.00 57.88 57.23 1qvx h LEU 976 Cb 0.59 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1qvx h LEU 976 CO 0.00 1.41 -0.20 -0.65 -4.11 0.00 0.00 178.44 174.88 1qvx h PRO 977 N 0.28 0.00 0.72 0.17 0.11 -1.62 -2.97 132.00 128.69 1qvx h PRO 977 Ca -0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 1qvx h PRO 977 Cb 1.50 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.62 1qvx h PRO 977 CO 0.17 0.20 -0.35 0.00 -0.21 0.00 0.00 178.00 177.81 1qvx h ALA 978 N 1.80 -1.01 0.00 -0.75 0.00 -1.48 -3.48 119.26 114.34 1qvx h ALA 978 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 978 Cb 0.44 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1qvx h ALA 978 CO 0.03 -0.94 0.00 0.43 0.00 0.00 0.00 179.25 178.77 1qvx n SER 979 N -5.28 0.00 0.18 0.00 7.64 0.77 -4.78 113.62 112.15 1qvx n SER 979 Ca -0.12 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.89 1qvx n SER 979 Cb 0.38 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 64.23 1qvx n SER 979 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qvx h THR 980 N 0.00 0.00 -0.11 0.44 1.03 -0.90 -3.24 112.91 110.13 1qvx h THR 980 Ca 0.00 -0.10 0.03 0.00 -0.01 0.00 0.00 66.41 66.34 1qvx h THR 980 Cb 0.00 0.74 -0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1qvx h THR 980 CO 0.00 0.00 0.55 -0.74 -0.01 0.00 0.00 175.52 175.32 1qvx h HIS 981 N 0.00 0.00 0.16 0.00 2.76 -1.73 0.15 115.15 116.49 1qvx h HIS 981 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1qvx h HIS 981 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1qvx h HIS 981 CO 0.00 0.00 -0.08 -0.09 -1.30 0.00 0.00 177.93 176.46 1qvx h ARG 982 N 0.00 -0.21 0.04 5.26 2.43 -1.88 -3.17 114.38 116.86 1qvx h ARG 982 Ca 0.05 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1qvx h ARG 982 Cb 1.16 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1qvx h ARG 982 CO -0.00 0.22 -0.83 0.93 -1.51 0.00 0.00 179.97 178.78 1qvx h GLU 983 N -0.78 0.49 -0.05 0.20 3.07 -1.29 -3.10 114.58 113.12 1qvx h GLU 983 Ca -0.02 -0.58 0.02 0.00 -0.50 0.00 0.00 59.36 58.27 1qvx h GLU 983 Cb 0.53 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1qvx h GLU 983 CO 0.04 1.22 0.04 0.97 -1.40 0.00 0.00 179.01 179.88 1qvx h ILE 984 N 0.03 0.83 -0.14 3.13 6.09 -0.95 0.19 117.51 126.69 1qvx h ILE 984 Ca -0.12 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 63.17 1qvx h ILE 984 Cb 1.54 0.97 0.01 0.00 0.47 0.00 0.00 36.82 39.81 1qvx h ILE 984 CO 0.16 0.00 -0.72 -0.33 -3.07 0.00 0.00 178.15 174.20 1qvx h GLU 985 N 0.00 0.73 0.58 2.19 4.39 -1.61 -2.91 114.58 117.95 1qvx h GLU 985 Ca 0.03 -0.60 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 1qvx h GLU 985 Cb 0.11 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1qvx h GLU 985 CO -0.00 1.21 -0.28 0.00 -1.16 0.00 0.00 179.01 178.78 1qvx h MET 986 N 0.43 -0.75 0.16 2.33 -0.00 -0.55 -3.06 114.93 113.50 1qvx h MET 986 Ca -0.05 0.05 -0.26 0.00 -0.00 0.00 0.00 59.70 59.44 1qvx h MET 986 Cb 1.35 0.17 0.03 0.00 -0.00 0.00 0.00 31.60 33.15 1qvx h MET 986 CO 0.15 -0.44 -1.11 0.00 -0.00 0.00 0.00 176.91 175.51 1qvx h ALA 987 N -0.77 -0.09 -0.75 -3.00 0.00 -1.62 -3.01 119.26 110.02 1qvx h ALA 987 Ca -0.08 -0.76 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1qvx h ALA 987 Cb 0.66 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1qvx h ALA 987 CO 0.13 0.54 0.45 0.37 0.00 0.00 0.00 179.25 180.75 1qvx h GLN 988 N -0.03 0.82 -0.05 0.00 4.15 -1.63 1.21 115.11 119.57 1qvx h GLN 988 Ca -0.19 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.09 1qvx h GLN 988 Cb 1.85 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.35 1qvx h GLN 988 CO 0.21 0.54 -0.41 -0.22 -1.93 0.00 0.00 178.83 177.02 1qvx h LYS 989 N 0.84 0.10 -0.01 1.69 3.64 -1.64 -1.91 116.57 119.28 1qvx h LYS 989 Ca 0.33 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1qvx h LYS 989 Cb 0.14 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1qvx h LYS 989 CO -0.16 0.50 -0.81 1.25 -2.27 0.00 0.00 179.45 177.96 1qvx h LEU 990 N 0.09 0.17 -0.02 5.20 5.85 -0.64 -2.98 115.31 122.98 1qvx h LEU 990 Ca 0.01 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1qvx h LEU 990 Cb 0.77 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1qvx h LEU 990 CO 0.06 0.91 0.00 -0.07 -0.34 0.00 0.00 178.44 179.00 1qvx h LEU 991 N 0.08 0.02 -0.97 2.25 3.38 0.18 -0.50 115.31 119.74 1qvx h LEU 991 Ca -0.03 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1qvx h LEU 991 Cb 1.42 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 1qvx h LEU 991 CO 0.12 0.25 0.63 -1.13 0.09 0.00 0.00 178.44 178.40 1qvx h ASN 992 N -0.21 1.04 0.43 -0.43 -0.73 -1.38 0.35 115.58 114.66 1qvx h ASN 992 Ca 0.00 -0.00 -0.24 0.00 1.87 0.00 0.00 56.30 57.94 1qvx h ASN 992 Cb 0.24 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1qvx h ASN 992 CO 0.00 0.70 -1.02 0.28 -0.37 0.00 0.00 177.43 177.02 1qvx h SER 993 N 1.20 0.48 0.09 1.15 0.02 -1.38 -2.80 113.55 112.31 1qvx h SER 993 Ca 0.40 -0.42 -0.36 0.00 -0.84 0.00 0.00 61.79 60.57 1qvx h SER 993 Cb 0.05 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 1qvx h SER 993 CO -0.14 1.24 -2.27 0.47 -1.14 0.00 0.00 176.83 175.00 1qvx n ASP 994 N -3.68 0.45 -0.26 3.07 9.92 -0.21 -1.87 116.55 123.97 1qvx n ASP 994 Ca -0.07 0.06 0.07 0.00 -0.53 0.00 0.00 54.79 54.32 1qvx n ASP 994 Cb 0.88 0.59 0.31 0.00 -0.64 0.00 0.00 41.12 42.26 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 0.00 0.77 -0.20 0.64 7.12 -0.47 -0.56 115.31 122.61 1qvx h LEU 995 Ca -0.50 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.52 1qvx h LEU 995 Cb 2.16 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 42.14 1qvx h LEU 995 CO 0.03 0.47 0.12 0.00 -0.13 0.00 0.00 178.44 178.93 1qvx h ALA 996 N 1.56 0.25 -0.73 1.25 0.00 -1.48 0.48 119.26 120.59 1qvx h ALA 996 Ca 0.39 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1qvx h ALA 996 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1qvx h ALA 996 CO -0.16 -0.26 0.48 0.93 0.00 0.00 0.00 179.25 180.25 1qvx h GLU 997 N 0.25 0.92 -0.16 0.00 5.08 -0.80 0.13 114.58 120.00 1qvx h GLU 997 Ca 0.07 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1qvx h GLU 997 Cb -0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1qvx h GLU 997 CO -0.01 0.61 -0.37 1.25 -1.00 0.00 0.00 179.01 179.48 1qvx h LEU 998 N 0.95 0.35 -0.09 1.33 5.85 -0.36 0.67 115.31 124.01 1qvx h LEU 998 Ca 0.28 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1qvx h LEU 998 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1qvx h LEU 998 CO -0.07 0.70 -0.50 0.16 -0.34 0.00 0.00 178.44 178.39 1qvx h ILE 999 N 0.29 0.89 0.00 4.05 3.07 -0.15 0.26 117.51 125.92 1qvx h ILE 999 Ca 0.03 -2.19 0.00 0.00 1.55 0.00 0.00 64.86 64.25 1qvx h ILE 999 Cb 0.79 2.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 1qvx h ILE 999 CO 0.06 0.49 0.00 0.78 -1.05 0.00 0.00 178.15 178.44 1qvx h ASN 1000N 0.00 0.00 0.59 2.16 2.35 -0.32 -1.88 115.58 118.48 1qvx h ASN 1000Ca -0.01 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1qvx h ASN 1000Cb 1.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 1qvx h ASN 1000CO 0.07 0.00 -1.51 0.11 -1.65 0.00 0.00 177.43 174.44 1qvx h LYS 1001N 0.00 0.06 -0.27 0.81 6.56 0.12 1.06 116.57 124.92 1qvx h LYS 1001Ca 0.00 -0.11 -0.13 0.00 -1.06 0.00 0.00 60.65 59.35 1qvx h LYS 1001Cb 0.84 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 1qvx h LYS 1001CO 0.00 0.78 -0.37 0.00 -2.06 0.00 0.00 179.45 177.80 1qvx h MET 1002N 0.02 0.61 0.55 3.15 -0.00 -0.59 0.47 114.93 119.14 1qvx h MET 1002Ca -0.22 -0.30 -0.03 0.00 -0.00 0.00 0.00 59.70 59.16 1qvx h MET 1002Cb 1.95 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 33.56 1qvx h MET 1002CO 0.11 0.89 -0.26 -0.22 -0.00 0.00 0.00 176.91 177.42 1qvx h LYS 1003N 0.51 -0.71 -0.64 -0.10 3.64 -1.29 -1.41 116.57 116.57 1qvx h LYS 1003Ca 0.05 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1qvx h LYS 1003Cb 0.88 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1qvx h LYS 1003CO 0.08 -0.43 0.40 -0.07 -2.27 0.00 0.00 179.45 177.16 1qvx h LEU 1004N -0.86 0.66 -0.38 5.20 3.38 0.13 1.17 115.31 124.60 1qvx h LEU 1004Ca -0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1qvx h LEU 1004Cb 0.61 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1qvx h LEU 1004CO 0.12 0.46 0.20 0.00 0.09 0.00 0.00 178.44 179.32 1qvx h ALA 1005N 1.27 0.47 0.00 1.53 0.00 -0.06 0.26 119.26 122.74 1qvx h ALA 1005Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qvx h ALA 1005Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qvx h ALA 1005CO -0.10 -0.16 0.00 -0.56 0.00 0.00 0.00 179.25 178.43 1qvx h GLN 1006N 0.40 0.00 0.01 0.00 -0.00 -0.89 -2.18 115.11 112.46 1qvx h GLN 1006Ca 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.67 1qvx h GLN 1006Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.55 1qvx h GLN 1006CO -0.10 0.00 -0.56 0.37 -0.00 0.00 0.00 178.83 178.54 1qvx h GLN 1007N 0.00 0.36 0.36 0.06 5.75 0.26 -3.35 115.11 118.55 1qvx h GLN 1007Ca 0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.08 1qvx h GLN 1007Cb 0.83 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.50 1qvx h GLN 1007CO 0.00 1.09 -0.17 -0.92 -2.65 0.00 0.00 178.83 176.17 1qvx h TYR 1008N -0.19 -0.44 -7.05 3.99 3.20 -0.57 -3.48 116.97 112.42 1qvx h TYR 1008Ca -0.07 -0.01 -0.47 0.00 3.14 0.00 0.00 58.73 61.32 1qvx h TYR 1008Cb 1.29 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.68 1qvx h TYR 1008CO 0.16 -0.28 -0.78 1.55 -1.64 0.00 0.00 178.16 177.17 1qvx n VAL 1009N -4.68 -1.91 -2.22 1.81 3.14 -0.82 -4.88 118.33 108.77 1qvx n VAL 1009Ca -0.06 -0.45 -0.22 0.00 -2.96 0.00 0.00 64.34 60.65 1qvx n VAL 1009Cb 0.19 -1.63 0.02 0.00 -1.06 0.00 0.00 33.84 31.36 1qvx n VAL 1009CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1qvx n MET 1010N -4.12 3.32 0.00 1.45 2.81 -1.26 -4.93 117.12 114.38 1qvx n MET 1010Ca -0.10 -4.16 0.00 0.00 -1.81 0.00 0.00 57.70 51.64 1qvx n MET 1010Cb 0.44 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1qvx n THR 1011N -0.63 0.00 0.05 2.03 -1.04 -1.26 -1.42 114.28 112.01 1qvx n THR 1011Ca 0.38 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.30 1qvx n THR 1011Cb 0.88 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.26 1qvx n THR 1011CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1qvx h SER 1012N 0.00 0.08 0.78 8.00 0.02 -2.00 -2.64 113.55 117.78 1qvx h SER 1012Ca 0.00 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 1qvx h SER 1012Cb 0.00 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1qvx h SER 1012CO 0.00 1.08 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.27 1qvx h LEU 1013N 0.01 0.00 -0.93 5.07 3.38 -1.67 -2.88 115.31 118.29 1qvx h LEU 1013Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1qvx h LEU 1013Cb 1.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1qvx h LEU 1013CO 0.13 0.43 0.08 -0.61 0.09 0.00 0.00 178.44 178.56 1qvx h GLN 1014N 0.00 0.86 -0.72 1.13 -0.00 -1.47 -2.99 115.11 111.91 1qvx h GLN 1014Ca -0.00 -0.20 0.09 0.00 -0.00 0.00 0.00 58.65 58.53 1qvx h GLN 1014Cb 0.94 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 28.23 1qvx h GLN 1014CO 0.06 0.81 0.37 0.37 0.00 0.00 0.00 178.83 180.44 1qvx h GLN 1015N 0.82 0.62 -0.81 1.69 4.15 -1.25 0.19 115.11 120.53 1qvx h GLN 1015Ca 0.17 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.72 1qvx h GLN 1015Cb 0.37 -0.14 -0.11 0.00 0.21 0.00 0.00 27.48 27.82 1qvx h GLN 1015CO 0.01 0.41 0.33 1.49 -1.93 0.00 0.00 178.83 179.14 1qvx h GLU 1016N 0.64 0.42 0.00 1.69 4.81 -1.62 0.72 114.58 121.25 1qvx h GLU 1016Ca 0.35 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1qvx h GLU 1016Cb 0.35 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1qvx h GLU 1016CO -0.26 0.28 -0.31 1.88 -0.73 0.00 0.00 179.01 179.88 1qvx h TYR 1017N 0.43 0.00 -0.45 0.92 -1.99 -0.82 -0.74 116.97 114.32 1qvx h TYR 1017Ca 0.46 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.11 1qvx h TYR 1017Cb 0.76 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.47 1qvx h TYR 1017CO -0.16 0.31 -0.05 -0.22 -0.00 0.00 0.00 178.16 178.03 1qvx h LYS 1018N 0.00 0.77 -0.03 4.88 3.64 0.11 0.29 116.57 126.23 1qvx h LYS 1018Ca -0.00 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1qvx h LYS 1018Cb 1.13 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1qvx h LYS 1018CO 0.04 0.82 -0.06 0.87 -2.27 0.00 0.00 179.45 178.85 1qvx h LYS 1019N 0.71 0.09 -0.95 1.90 1.57 -0.55 -0.26 116.57 119.09 1qvx h LYS 1019Ca 0.13 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.04 1qvx h LYS 1019Cb 0.51 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 1qvx h LYS 1019CO 0.03 0.63 0.61 1.96 -0.57 0.00 0.00 179.45 182.10 1qvx h GLN 1020N -0.44 0.60 0.02 3.15 1.08 -1.07 0.26 115.11 118.72 1qvx h GLN 1020Ca 0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1qvx h GLN 1020Cb 0.63 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1qvx h GLN 1020CO 0.01 0.40 -0.01 1.98 -0.95 0.00 0.00 178.83 180.26 1qvx h MET 1021N 0.62 -0.02 0.00 1.46 4.05 -0.21 -2.29 114.93 118.55 1qvx h MET 1021Ca 0.51 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.92 1qvx h MET 1021Cb 0.97 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1qvx h MET 1021CO -0.26 0.16 -0.08 -0.07 0.23 0.00 0.00 176.91 176.88 1qvx h LEU 1022N -0.20 0.00 -0.85 3.39 3.38 0.19 0.29 115.31 121.51 1qvx h LEU 1022Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1qvx h LEU 1022Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1qvx h LEU 1022CO 0.00 0.08 -0.12 0.74 0.09 0.00 0.00 178.44 179.23 1qvx h THR 1023N 0.00 1.26 0.17 0.22 2.02 -0.22 0.20 112.91 116.55 1qvx h THR 1023Ca -0.00 -1.16 -0.31 0.00 0.77 0.00 0.00 66.41 65.70 1qvx h THR 1023Cb 0.16 1.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1qvx h THR 1023CO 0.01 0.39 -1.33 0.00 0.37 0.00 0.00 175.52 174.96 1qvx h ALA 1024N 1.21 -0.07 -0.78 6.16 0.00 -0.60 -3.02 119.26 122.16 1qvx h ALA 1024Ca 0.11 -0.80 0.06 0.00 0.00 0.00 0.00 54.91 54.28 1qvx h ALA 1024Cb 0.59 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1qvx h ALA 1024CO 0.04 0.69 0.46 0.00 0.00 0.00 0.00 179.25 180.44 1qvx h ALA 1025N 0.24 1.07 -0.14 0.00 0.00 -0.35 -0.71 119.26 119.36 1qvx h ALA 1025Ca -0.21 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 1025Cb 2.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1qvx h ALA 1025CO 0.25 0.17 -0.14 1.25 0.00 0.00 0.00 179.25 180.79 1qvx h HIS 1026N 0.84 -0.34 -0.39 0.00 6.17 -0.62 0.49 115.15 121.30 1qvx h HIS 1026Ca 0.35 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.43 1qvx h HIS 1026Cb 0.19 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.28 1qvx h HIS 1026CO -0.05 -0.20 0.19 0.00 0.71 0.00 0.00 177.93 178.57 1qvx h ALA 1027N 0.92 0.50 -0.12 5.26 0.00 -1.23 0.53 119.26 125.12 1qvx h ALA 1027Ca 0.10 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 1027Cb 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qvx h ALA 1027CO -0.24 0.06 -0.57 1.25 0.00 0.00 0.00 179.25 179.75 1qvx h LEU 1028N 0.49 0.71 -1.08 0.00 5.85 -0.98 -0.85 115.31 119.45 1qvx h LEU 1028Ca 0.13 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1qvx h LEU 1028Cb 0.12 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1qvx h LEU 1028CO -0.02 1.23 0.62 0.00 -0.34 0.00 0.00 178.44 179.93 1qvx h ALA 1029N 0.50 1.35 -0.45 1.25 0.00 0.09 0.57 119.26 122.55 1qvx h ALA 1029Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1qvx h ALA 1029Cb 1.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1qvx h ALA 1029CO 0.12 0.60 -0.07 0.28 0.00 0.00 0.00 179.25 180.18 1qvx h VAL 1030N 1.25 1.27 -0.14 0.00 2.07 -0.85 -2.14 116.25 117.71 1qvx h VAL 1030Ca 0.35 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1qvx h VAL 1030Cb -0.12 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1qvx h VAL 1030CO -0.08 0.40 -0.23 -0.78 0.02 0.00 0.00 177.57 176.90 1qvx h ASP 1031N 0.68 0.25 -0.65 0.57 3.58 -0.33 0.76 116.42 121.28 1qvx h ASP 1031Ca 0.12 -0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.59 1qvx h ASP 1031Cb 0.60 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1qvx h ASP 1031CO 0.04 0.49 0.28 0.00 -2.88 0.00 0.00 179.24 177.17 1qvx h ALA 1032N 1.54 0.87 0.00 -0.78 0.00 0.32 0.37 119.26 121.58 1qvx h ALA 1032Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qvx h ALA 1032Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1qvx h ALA 1032CO 0.04 -0.13 -0.17 0.87 0.00 0.00 0.00 179.25 179.86 1qvx h LYS 1033N 0.49 0.00 -0.08 0.00 1.57 -0.42 -0.61 116.57 117.52 1qvx h LYS 1033Ca 0.33 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1qvx h LYS 1033Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1qvx h LYS 1033CO -0.29 0.17 -0.52 -0.97 -0.57 0.00 0.00 179.45 177.26 1qvx h ASN 1034N 0.00 0.59 1.84 0.86 -1.24 0.26 -2.83 115.58 115.05 1qvx h ASN 1034Ca -0.00 -0.67 -0.03 0.00 0.71 0.00 0.00 56.30 56.31 1qvx h ASN 1034Cb 0.67 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 1qvx h ASN 1034CO 0.02 1.17 -0.15 0.25 -1.29 0.00 0.00 177.43 177.43 1qvx h LEU 1035N 0.06 0.00 -1.11 0.34 5.85 -0.29 0.14 115.31 120.29 1qvx h LEU 1035Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 1035Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1qvx h LEU 1035CO 0.11 0.15 -0.12 0.17 -0.34 0.00 0.00 178.44 178.40 1qvx h LEU 1036N 0.00 0.00 0.05 2.25 8.10 -1.11 0.88 115.31 125.48 1qvx h LEU 1036Ca -0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1qvx h LEU 1036Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.33 1qvx h LEU 1036CO 0.02 0.12 -0.42 -0.78 -4.11 0.00 0.00 178.44 173.28 1qvx h ASP 1037N 0.00 0.16 -0.17 0.17 3.58 -1.22 -2.79 116.42 116.15 1qvx h ASP 1037Ca -0.00 -0.94 0.03 0.00 0.42 0.00 0.00 57.03 56.54 1qvx h ASP 1037Cb 0.70 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 1qvx h ASP 1037CO 0.02 1.19 -0.46 0.58 -2.88 0.00 0.00 179.24 177.69 1qvx h VAL 1038N -0.78 0.00 0.00 2.25 2.07 0.03 0.21 116.25 120.04 1qvx h VAL 1038Ca -0.09 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1qvx h VAL 1038Cb 1.25 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1qvx h VAL 1038CO 0.03 0.00 -1.36 -0.29 0.02 0.00 0.00 177.57 175.97 1qvx h ILE 1039N -0.45 0.48 -0.27 4.57 2.10 0.58 0.59 117.51 125.11 1qvx h ILE 1039Ca 0.03 -1.95 -0.04 0.00 1.08 0.00 0.00 64.86 63.99 1qvx h ILE 1039Cb 0.55 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 38.28 1qvx h ILE 1039CO -0.40 0.27 -0.01 -0.78 -1.08 0.00 0.00 178.15 176.16 1qvx h ASP 1040N 0.00 0.37 1.09 2.19 3.58 -1.52 0.41 116.42 122.54 1qvx h ASP 1040Ca -0.15 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.12 1qvx h ASP 1040Cb 1.55 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 1qvx h ASP 1040CO 0.04 0.44 -0.57 1.56 -2.88 0.00 0.00 179.24 177.84 1qvx h GLN 1041N 0.39 0.00 -0.23 0.28 4.20 -0.09 -3.07 115.11 116.60 1qvx h GLN 1041Ca 0.09 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1qvx h GLN 1041Cb 0.27 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1qvx h GLN 1041CO 0.01 0.57 -0.08 0.00 -0.67 0.00 0.00 178.83 178.66 1qvx h ALA 1042N 1.43 0.12 -0.92 3.87 0.00 0.13 1.85 119.26 125.74 1qvx h ALA 1042Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1qvx h ALA 1042Cb 1.27 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1qvx h ALA 1042CO 0.07 -0.49 0.53 0.07 0.00 0.00 0.00 179.25 179.43 1qvx h ARG 1043N -0.03 0.77 0.00 0.00 -0.00 -0.88 0.14 114.38 114.38 1qvx h ARG 1043Ca 0.11 -0.05 -0.20 0.00 -0.00 0.00 0.00 59.98 59.84 1qvx h ARG 1043Cb 0.20 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.97 29.97 1qvx h ARG 1043CO -0.25 0.51 -0.97 1.25 -0.00 0.00 0.00 179.97 180.51 1qvx h LEU 1044N 0.80 0.00 -0.52 0.08 5.85 -1.33 -3.14 115.31 117.04 1qvx h LEU 1044Ca 0.48 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.27 1qvx h LEU 1044Cb 0.58 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1qvx h LEU 1044CO -0.31 0.97 0.19 0.11 -0.34 0.00 0.00 178.44 179.06 1qvx h LYS 1045N 0.00 0.36 -0.43 1.25 6.56 0.48 0.88 116.57 125.67 1qvx h LYS 1045Ca -0.01 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1qvx h LYS 1045Cb 1.74 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 33.30 1qvx h LYS 1045CO 0.13 0.24 0.21 1.98 -2.06 0.00 0.00 179.45 179.95 1qvx h MET 1046N 0.37 0.62 0.00 3.15 4.05 -0.88 -1.37 114.93 120.88 1qvx h MET 1046Ca 0.25 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1qvx h MET 1046Cb 0.27 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1qvx h MET 1046CO -0.25 0.53 -0.06 0.82 0.23 0.00 0.00 176.91 178.17 1qvx h ILE 1047N 0.56 0.19 -0.40 1.77 5.03 -1.29 -2.82 117.51 120.55 1qvx h ILE 1047Ca 0.15 -0.54 -0.09 0.00 -0.12 0.00 0.00 64.86 64.25 1qvx h ILE 1047Cb 0.11 1.45 -0.02 0.00 -3.03 0.00 0.00 36.82 35.33 1qvx h ILE 1047CO -0.02 0.06 -0.14 -1.28 -0.68 0.00 0.00 178.15 176.09 1qvx h SER 1048N 0.00 0.73 0.51 1.72 0.87 0.19 0.88 113.55 118.44 1qvx h SER 1048Ca -0.00 -0.22 -0.23 0.00 -1.23 0.00 0.00 61.79 60.10 1qvx h SER 1048Cb 0.44 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1qvx h SER 1048CO 0.01 0.88 -1.03 -0.61 -0.53 0.00 0.00 176.83 175.55 1qvx h GLN 1049N 0.66 0.31 0.00 2.24 4.15 -1.29 -3.27 115.11 117.90 1qvx h GLN 1049Ca 0.11 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1qvx h GLN 1049Cb 0.61 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1qvx h GLN 1049CO 0.04 1.11 -0.87 1.03 -1.93 0.00 0.00 178.83 178.21 1qvx h SER 1050N 0.15 0.00 -3.88 -0.69 0.87 -1.38 -3.51 113.55 105.11 1qvx h SER 1050Ca -0.09 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1qvx h SER 1050Cb 1.69 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.62 1qvx h SER 1050CO 0.17 0.00 -0.63 0.54 -0.53 0.00 0.00 176.83 176.38 1qvx n ARG 1051N -2.71 -2.31 0.12 2.24 1.74 0.30 -4.86 116.66 111.18 1qvx n ARG 1051Ca 0.01 1.82 -0.06 0.00 -0.77 0.00 0.00 57.85 58.85 1qvx n ARG 1051Cb 0.54 -2.36 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1qvx n ARG 1051CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qvx h PRO 1052N -0.18 -0.35 0.00 5.56 0.13 -1.93 -3.47 132.00 131.76 1qvx h PRO 1052Ca -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1qvx h PRO 1052Cb 0.65 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1qvx h PRO 1052CO 0.01 -0.23 0.00 -2.39 -0.23 0.00 0.00 178.00 175.16