#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 6.10 -4.16 6.15 7.64 -1.26 -4.74 113.62 123.35 1qvx n SER 921 Ca 0.00 -2.91 -0.33 0.00 1.01 0.00 0.00 58.87 56.64 1qvx n SER 921 Cb 0.00 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 61.83 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qvx n ASN 922 N 1.58 -0.61 -3.09 6.43 4.13 -1.26 -4.89 115.26 117.55 1qvx n ASN 922 Ca 0.48 -1.22 -0.02 0.00 1.68 0.00 0.00 54.58 55.50 1qvx n ASN 922 Cb 0.67 -2.00 0.02 0.00 -1.54 0.00 0.00 39.78 36.93 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 -2.75 -1.02 0.17 6.41 2.03 -1.26 -3.49 116.55 116.64 1qvx n ASP 923 Ca -0.27 -0.05 0.05 0.00 0.52 0.00 0.00 54.79 55.04 1qvx n ASP 923 Cb 0.66 -0.11 0.08 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.57 0.02 0.22 -0.67 0.00 -1.26 -0.05 118.16 115.86 1qvx n LYS 924 Ca 0.01 0.79 -0.15 0.00 0.00 0.00 0.00 58.31 58.96 1qvx n LYS 924 Cb 0.03 -2.10 -0.08 0.00 0.00 0.00 0.00 35.03 32.88 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 0.63 0.18 3.15 -1.51 -1.88 0.02 116.25 116.83 1qvx h VAL 925 Ca 0.09 -0.04 -0.30 0.00 -1.23 0.00 0.00 66.70 65.21 1qvx h VAL 925 Cb 1.81 0.65 0.02 0.00 -2.13 0.00 0.00 31.29 31.65 1qvx h VAL 925 CO -0.00 0.01 -1.34 0.22 -1.23 0.00 0.00 177.57 175.23 1qvx h TYR 926 N -0.54 0.74 0.37 5.19 3.20 -0.50 -3.16 116.97 122.27 1qvx h TYR 926 Ca -0.05 -0.53 -0.01 0.00 3.14 0.00 0.00 58.73 61.28 1qvx h TYR 926 Cb 0.41 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1qvx h TYR 926 CO -0.04 1.41 -0.25 0.93 -1.64 0.00 0.00 178.16 178.56 1qvx h GLU 927 N 0.12 -0.59 -0.04 1.82 5.08 -1.53 -2.16 114.58 117.28 1qvx h GLU 927 Ca -0.19 0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1qvx h GLU 927 Cb 2.05 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.42 1qvx h GLU 927 CO 0.24 -0.39 -0.72 -0.97 -1.00 0.00 0.00 179.01 176.16 1qvx h ASN 928 N -0.61 0.29 -0.14 1.42 -1.24 -1.11 -1.65 115.58 112.55 1qvx h ASN 928 Ca -0.04 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.75 1qvx h ASN 928 Cb 0.51 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1qvx h ASN 928 CO 0.02 0.91 -0.01 0.58 -1.29 0.00 0.00 177.43 177.65 1qvx h VAL 929 N 0.16 1.16 -0.54 2.57 2.07 -1.54 0.18 116.25 120.30 1qvx h VAL 929 Ca -0.02 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1qvx h VAL 929 Cb 1.28 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1qvx h VAL 929 CO 0.11 0.20 0.28 0.74 0.02 0.00 0.00 177.57 178.93 1qvx h THR 930 N 0.35 1.17 -0.29 2.57 2.02 -0.69 -0.88 112.91 117.16 1qvx h THR 930 Ca 0.08 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.84 1qvx h THR 930 Cb 0.25 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1qvx h THR 930 CO 0.01 0.19 0.20 1.23 0.37 0.00 0.00 175.52 177.52 1qvx h GLY 931 N 0.83 0.29 1.21 2.16 0.00 0.21 0.27 103.07 108.05 1qvx h GLY 931 Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1qvx h GLY 931 CO -0.03 0.09 0.16 -2.00 0.00 0.00 0.00 176.54 174.75 1qvx h LEU 932 N 0.26 0.92 -0.35 3.11 6.46 -0.08 0.15 115.31 125.77 1qvx h LEU 932 Ca 0.12 -0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.57 1qvx h LEU 932 Cb 0.17 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1qvx h LEU 932 CO -0.02 0.89 -0.29 0.58 -0.62 0.00 0.00 178.44 178.97 1qvx h VAL 933 N 0.94 1.29 -0.60 1.05 2.07 -0.94 -1.37 116.25 118.68 1qvx h VAL 933 Ca 0.20 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1qvx h VAL 933 Cb 0.33 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1qvx h VAL 933 CO -0.00 0.48 0.39 0.11 0.02 0.00 0.00 177.57 178.57 1qvx h LYS 934 N 0.61 0.66 0.00 1.57 1.79 0.01 0.21 116.57 121.41 1qvx h LYS 934 Ca 0.06 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1qvx h LYS 934 Cb 0.87 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1qvx h LYS 934 CO 0.08 0.43 -0.46 0.00 -1.08 0.00 0.00 179.45 178.42 1qvx h ALA 935 N 1.66 0.71 0.00 3.86 0.00 -0.47 -1.13 119.26 123.89 1qvx h ALA 935 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 935 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qvx h ALA 935 CO -0.07 0.58 -0.24 -0.24 0.00 0.00 0.00 179.25 179.28 1qvx h VAL 936 N 0.00 0.00 -0.34 0.00 3.04 -0.29 -2.53 116.25 116.13 1qvx h VAL 936 Ca -0.00 -0.54 -0.13 0.00 -1.01 0.00 0.00 66.70 65.01 1qvx h VAL 936 Cb 1.33 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1qvx h VAL 936 CO 0.06 0.00 -0.33 0.40 -1.01 0.00 0.00 177.57 176.69 1qvx h ILE 937 N 0.00 1.28 -0.93 3.17 1.08 -0.19 -2.42 117.51 119.50 1qvx h ILE 937 Ca 0.00 -1.48 0.18 0.00 -0.39 0.00 0.00 64.86 63.17 1qvx h ILE 937 Cb 0.77 1.37 -0.08 0.00 -3.07 0.00 0.00 36.82 35.81 1qvx h ILE 937 CO 0.00 0.49 0.60 -0.33 -0.69 0.00 0.00 178.15 178.21 1qvx h GLU 938 N 0.64 0.57 -0.77 2.37 4.39 -0.80 0.21 114.58 121.19 1qvx h GLU 938 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1qvx h GLU 938 Cb 0.86 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1qvx h GLU 938 CO 0.08 0.38 0.46 1.98 -1.16 0.00 0.00 179.01 180.74 1qvx h MET 939 N 0.59 1.04 -0.02 2.33 4.05 -1.12 0.47 114.93 122.28 1qvx h MET 939 Ca 0.49 -0.10 -0.16 0.00 -0.28 0.00 0.00 59.70 59.66 1qvx h MET 939 Cb 0.96 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1qvx h MET 939 CO -0.23 0.74 -0.71 0.77 0.23 0.00 0.00 176.91 177.71 1qvx h SER 940 N 1.05 0.12 0.05 1.39 0.02 -0.74 -0.40 113.55 115.04 1qvx h SER 940 Ca 0.27 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.95 1qvx h SER 940 Cb -0.03 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.50 1qvx h SER 940 CO -0.05 0.79 -0.78 0.77 -1.14 0.00 0.00 176.83 176.42 1qvx h SER 941 N 0.07 0.60 -0.15 3.07 4.64 -0.35 -3.07 113.55 118.36 1qvx h SER 941 Ca -0.01 -0.81 0.05 0.00 -0.47 0.00 0.00 61.79 60.54 1qvx h SER 941 Cb 1.25 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 1qvx h SER 941 CO 0.10 1.34 -0.23 0.11 -0.87 0.00 0.00 176.83 177.28 1qvx h LYS 942 N -0.07 -0.27 0.00 4.77 1.79 -0.03 -2.32 116.57 120.44 1qvx h LYS 942 Ca -0.11 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1qvx h LYS 942 Cb 1.51 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.22 1qvx h LYS 942 CO 0.15 -0.18 -0.06 0.97 -1.08 0.00 0.00 179.45 179.24 1qvx h ILE 943 N -0.28 0.41 0.40 1.86 2.10 -1.10 -2.05 117.51 118.85 1qvx h ILE 943 Ca 0.11 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.70 1qvx h ILE 943 Cb 0.44 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1qvx h ILE 943 CO -0.31 0.06 -0.37 1.56 -1.08 0.00 0.00 178.15 178.01 1qvx h GLN 944 N 0.00 -0.73 -0.84 2.19 4.20 -1.31 -3.07 115.11 115.55 1qvx h GLN 944 Ca -0.00 0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.51 1qvx h GLN 944 Cb 0.23 0.17 -0.15 0.00 0.30 0.00 0.00 27.48 28.03 1qvx h GLN 944 CO 0.01 -0.49 0.31 -0.35 -0.67 0.00 0.00 178.83 177.64 1qvx n PRO 945 N -4.65 3.14 -4.84 1.46 -0.04 -1.13 -4.97 135.00 123.98 1qvx n PRO 945 Ca -0.09 -2.67 -0.33 0.00 -0.04 0.00 0.00 63.50 60.37 1qvx n PRO 945 Cb 0.34 -2.09 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 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 -2.71 2.71 0.68 0.55 0.00 -0.78 -5.07 121.76 117.13 1qvx s ALA 946 Ca 0.49 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1qvx s ALA 946 Cb 0.39 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.55 1qvx s ALA 946 CO 0.11 0.52 0.46 -0.35 0.00 0.00 0.00 175.76 176.51 1qvx n PRO 947 N 2.44 0.03 -0.18 0.00 -0.04 -1.26 -4.85 135.00 131.14 1qvx n PRO 947 Ca -0.17 -1.05 0.24 0.00 -0.04 0.00 0.00 63.50 62.48 1qvx n PRO 947 Cb 0.52 -0.37 0.64 0.00 -0.04 0.00 0.00 33.50 34.25 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 0.15 -0.97 0.54 0.13 -1.99 -0.62 132.00 129.25 1qvx h PRO 948 Ca -0.15 -0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.14 1qvx h PRO 948 Cb 0.51 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.51 1qvx h PRO 948 CO 0.14 0.10 0.61 0.93 -0.23 0.00 0.00 178.00 179.55 1qvx h GLU 949 N 0.16 0.73 -0.38 0.86 5.08 -1.93 0.32 114.58 119.41 1qvx h GLU 949 Ca 0.42 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1qvx h GLU 949 Cb 1.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1qvx h GLU 949 CO -0.07 0.48 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 1qvx n GLU 950 N -4.64 2.36 -0.14 2.33 1.02 -0.28 -4.05 120.64 117.24 1qvx n GLU 950 Ca 0.20 -2.13 -0.07 0.00 -0.02 0.00 0.00 57.16 55.14 1qvx n GLU 950 Cb 0.52 -1.42 0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1qvx h TYR 951 N 3.48 0.98 -0.00 -0.32 0.05 -0.50 0.62 116.97 121.29 1qvx h TYR 951 Ca 0.00 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 1qvx h TYR 951 Cb 0.85 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1qvx h TYR 951 CO 0.25 0.93 -0.24 -0.24 -1.05 0.00 0.00 178.16 177.81 1qvx h VAL 952 N 0.81 1.55 -0.31 -2.88 3.04 -1.70 -3.13 116.25 113.63 1qvx h VAL 952 Ca 0.14 -1.95 0.09 0.00 -1.01 0.00 0.00 66.70 63.96 1qvx h VAL 952 Cb 0.60 2.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.65 1qvx h VAL 952 CO 0.04 0.53 0.30 -0.65 -1.01 0.00 0.00 177.57 176.78 1qvx h PRO 953 N -0.52 0.00 -0.10 4.17 0.11 -1.69 -1.35 132.00 132.62 1qvx h PRO 953 Ca -0.03 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 1qvx h PRO 953 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1qvx h PRO 953 CO 0.05 0.00 -0.73 0.00 -0.21 0.00 0.00 178.00 177.10 1qvx h MET 954 N 0.00 0.49 0.00 1.05 -0.00 -0.90 -1.75 114.93 113.81 1qvx h MET 954 Ca 0.15 -0.39 -0.03 0.00 -0.00 0.00 0.00 59.70 59.42 1qvx h MET 954 Cb 0.75 0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.43 1qvx h MET 954 CO -0.00 1.02 -0.15 -0.24 -0.00 0.00 0.00 176.91 177.54 1qvx h VAL 955 N 0.33 0.86 -0.88 -0.10 3.04 -1.23 -1.79 116.25 116.48 1qvx h VAL 955 Ca -0.03 -0.57 0.04 0.00 -1.01 0.00 0.00 66.70 65.12 1qvx h VAL 955 Cb 1.32 1.33 -0.05 0.00 -2.01 0.00 0.00 31.29 31.88 1qvx h VAL 955 CO 0.13 0.15 0.57 0.50 -1.01 0.00 0.00 177.57 177.92 1qvx h LYS 956 N 0.00 1.04 -0.27 4.17 3.64 -0.41 0.17 116.57 124.90 1qvx h LYS 956 Ca -0.00 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1qvx h LYS 956 Cb 0.32 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1qvx h LYS 956 CO 0.02 0.69 0.10 0.93 -2.27 0.00 0.00 179.45 178.92 1qvx h GLU 957 N 1.07 0.22 0.00 1.90 4.39 -0.96 0.33 114.58 121.53 1qvx h GLU 957 Ca 0.35 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 1qvx h GLU 957 Cb 0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1qvx h GLU 957 CO -0.11 0.14 -0.17 -0.39 -1.16 0.00 0.00 179.01 177.32 1qvx h VAL 958 N 0.22 0.39 -0.09 3.13 -1.51 -1.36 -1.62 116.25 115.41 1qvx h VAL 958 Ca 0.12 -1.09 -0.12 0.00 -1.23 0.00 0.00 66.70 64.38 1qvx h VAL 958 Cb 0.08 1.81 0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1qvx h VAL 958 CO -0.12 0.17 -0.43 1.23 -1.23 0.00 0.00 177.57 177.20 1qvx h GLY 959 N 2.49 0.50 2.00 5.19 0.00 0.21 -1.79 103.07 111.67 1qvx h GLY 959 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1qvx h GLY 959 CO 0.02 0.62 -0.04 1.41 0.00 0.00 0.00 176.54 178.55 1qvx h LEU 960 N 0.02 0.00 0.38 3.11 3.38 -0.33 0.22 115.31 122.09 1qvx h LEU 960 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1qvx h LEU 960 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qvx h LEU 960 CO 0.09 0.04 -0.18 0.00 0.09 0.00 0.00 178.44 178.48 1qvx h ALA 961 N 1.96 -0.50 -0.63 1.53 0.00 -0.97 0.23 119.26 120.88 1qvx h ALA 961 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 961 Cb 0.10 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1qvx h ALA 961 CO 0.01 -0.70 0.29 1.25 0.00 0.00 0.00 179.25 180.09 1qvx h LEU 962 N -0.67 0.81 0.63 0.00 7.12 -0.90 0.34 115.31 122.64 1qvx h LEU 962 Ca -0.05 -0.09 -0.02 0.00 0.13 0.00 0.00 57.88 57.85 1qvx h LEU 962 Cb 0.48 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1qvx h LEU 962 CO 0.08 0.70 -0.50 0.03 -0.13 0.00 0.00 178.44 178.62 1qvx h ARG 963 N 0.89 -1.05 -0.96 1.25 2.47 -0.81 0.13 114.38 116.30 1qvx h ARG 963 Ca 0.22 0.07 0.15 0.00 -1.26 0.00 0.00 59.98 59.16 1qvx h ARG 963 Cb 0.11 0.24 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 1qvx h ARG 963 CO -0.03 -0.70 0.57 1.79 0.56 0.00 0.00 179.97 182.16 1qvx h THR 964 N -1.09 0.79 -0.67 2.04 1.35 -0.35 0.58 112.91 115.56 1qvx h THR 964 Ca -0.08 -0.28 0.08 0.00 -0.55 0.00 0.00 66.41 65.58 1qvx h THR 964 Cb 0.91 -0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.20 1qvx h THR 964 CO 0.01 0.15 0.44 0.25 -0.25 0.00 0.00 175.52 176.12 1qvx h LEU 965 N 0.81 0.55 -1.61 3.87 7.12 0.10 -1.03 115.31 125.12 1qvx h LEU 965 Ca 0.52 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.49 1qvx h LEU 965 Cb 0.68 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1qvx h LEU 965 CO -0.33 0.34 -0.21 0.25 -0.13 0.00 0.00 178.44 178.36 1qvx h LEU 966 N 0.62 0.00 -0.61 2.25 5.85 0.16 0.19 115.31 123.77 1qvx h LEU 966 Ca 0.30 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1qvx h LEU 966 Cb 0.37 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1qvx h LEU 966 CO -0.10 0.21 0.16 0.00 -0.34 0.00 0.00 178.44 178.38 1qvx h ALA 967 N 1.79 0.81 -0.44 1.25 0.00 -1.11 -2.28 119.26 119.28 1qvx h ALA 967 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1qvx h ALA 967 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1qvx h ALA 967 CO 0.03 0.51 0.04 1.15 0.00 0.00 0.00 179.25 180.98 1qvx h THR 968 N 0.89 1.22 -0.56 0.00 2.02 -0.91 -1.44 112.91 114.14 1qvx h THR 968 Ca 0.19 -0.86 0.14 0.00 0.77 0.00 0.00 66.41 66.66 1qvx h THR 968 Cb 0.33 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1qvx h THR 968 CO -0.00 0.30 0.39 0.58 0.37 0.00 0.00 175.52 177.17 1qvx h VAL 969 N 0.66 0.77 0.00 3.16 2.07 -0.17 0.12 116.25 122.86 1qvx h VAL 969 Ca 0.14 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 1qvx h VAL 969 Cb 0.35 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1qvx h VAL 969 CO 0.01 0.02 -0.62 -0.78 0.02 0.00 0.00 177.57 176.22 1qvx h ASP 970 N 0.11 0.00 0.31 0.57 3.58 -0.78 0.79 116.42 121.00 1qvx h ASP 970 Ca 0.27 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1qvx h ASP 970 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1qvx h ASP 970 CO -0.03 0.62 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.47 1qvx h GLU 971 N 0.00 -0.40 0.00 0.28 4.39 -0.65 -2.90 114.58 115.30 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 1.22 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1qvx h GLU 971 CO 0.08 -0.12 -0.08 0.66 -1.16 0.00 0.00 179.01 178.39 1qvx h SER 972 N -0.66 0.00 0.06 1.42 4.64 -1.08 -3.24 113.55 114.70 1qvx h SER 972 Ca -0.04 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1qvx h SER 972 Cb 0.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 1qvx h SER 972 CO 0.07 0.08 -0.28 0.25 -0.87 0.00 0.00 176.83 176.08 1qvx h LEU 973 N 0.00 -0.82 -2.17 5.97 5.85 0.84 0.70 115.31 125.68 1qvx h LEU 973 Ca -0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1qvx h LEU 973 Cb 0.42 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1qvx h LEU 973 CO 0.01 -0.36 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.04 1qvx h PRO 974 N -0.46 0.00 0.00 5.25 0.11 -1.64 0.97 132.00 136.23 1qvx h PRO 974 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1qvx h PRO 974 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1qvx h PRO 974 CO -0.20 0.06 0.00 0.28 -0.21 0.00 0.00 178.00 177.93 1qvx n VAL 975 N -3.79 0.70 0.02 3.15 0.31 0.50 -3.03 118.33 116.19 1qvx n VAL 975 Ca -0.02 0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1qvx n VAL 975 Cb 0.16 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 1qvx n VAL 975 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1qvx h LEU 976 N 0.00 -0.13 -2.45 7.52 6.46 0.29 0.67 115.31 127.68 1qvx h LEU 976 Ca 0.00 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1qvx h LEU 976 Cb 0.44 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1qvx h LEU 976 CO 0.00 0.49 -0.03 -0.65 -0.62 0.00 0.00 178.44 177.63 1qvx h PRO 977 N -0.87 0.00 0.24 5.25 0.11 -1.63 -2.75 132.00 132.34 1qvx h PRO 977 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1qvx h PRO 977 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1qvx h PRO 977 CO 0.03 0.03 -0.12 0.00 -0.21 0.00 0.00 178.00 177.73 1qvx h ALA 978 N 1.97 -0.57 0.00 -0.75 0.00 -1.44 -3.48 119.26 114.99 1qvx h ALA 978 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 978 Cb 0.14 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qvx h ALA 978 CO 0.00 -0.55 0.00 0.43 0.00 0.00 0.00 179.25 179.14 1qvx n SER 979 N -3.56 0.00 0.12 0.00 7.64 0.17 -4.76 113.62 113.22 1qvx n SER 979 Ca -0.04 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.94 1qvx n SER 979 Cb 0.13 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.79 1qvx n SER 979 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1qvx n THR 980 N -0.73 1.00 0.23 0.44 5.66 0.18 -3.50 114.28 117.55 1qvx n THR 980 Ca 0.00 0.40 0.15 0.00 -3.05 0.00 0.00 64.05 61.55 1qvx n THR 980 Cb 0.00 -1.34 0.63 0.00 -1.55 0.00 0.00 70.33 68.07 1qvx n THR 980 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1qvx h HIS 981 N 0.00 0.00 0.02 1.09 6.17 -1.66 0.39 115.15 121.17 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 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 -0.01 0.07 0.71 0.00 0.00 177.93 178.70 1qvx h ARG 982 N 0.00 -0.03 0.04 5.26 0.11 -1.87 -3.33 114.38 114.56 1qvx h ARG 982 Ca 0.09 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 1qvx h ARG 982 Cb 1.19 0.01 0.01 0.00 1.11 0.00 0.00 29.97 32.28 1qvx h ARG 982 CO -0.00 0.59 -0.45 1.49 0.10 0.00 0.00 179.97 181.70 1qvx h GLU 983 N -0.97 0.24 -0.71 0.08 4.57 -0.93 -3.08 114.58 113.79 1qvx h GLU 983 Ca -0.00 -0.31 0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1qvx h GLU 983 Cb 0.64 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 1qvx h GLU 983 CO 0.01 1.06 0.47 0.97 -1.18 0.00 0.00 179.01 180.34 1qvx h ILE 984 N -0.43 0.86 -0.08 2.32 2.10 -0.61 0.17 117.51 121.84 1qvx h ILE 984 Ca -0.07 -0.17 -0.17 0.00 1.08 0.00 0.00 64.86 65.54 1qvx h ILE 984 Cb 1.25 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1qvx h ILE 984 CO 0.09 0.09 -0.68 -0.33 -1.08 0.00 0.00 178.15 176.23 1qvx h GLU 985 N 0.48 0.35 0.57 2.19 4.39 -1.67 -2.71 114.58 118.18 1qvx h GLU 985 Ca 0.34 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1qvx h GLU 985 Cb 0.65 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1qvx h GLU 985 CO -0.11 0.90 -0.27 0.00 -1.16 0.00 0.00 179.01 178.37 1qvx h MET 986 N 0.25 -0.73 0.16 2.33 -0.00 -0.57 -2.90 114.93 113.47 1qvx h MET 986 Ca -0.02 0.05 -0.29 0.00 -0.00 0.00 0.00 59.70 59.44 1qvx h MET 986 Cb 1.23 0.17 0.01 0.00 -0.00 0.00 0.00 31.60 33.01 1qvx h MET 986 CO 0.11 -0.43 -1.33 0.00 -0.00 0.00 0.00 176.91 175.26 1qvx h ALA 987 N -0.87 0.04 -0.35 -3.00 0.00 -1.63 -2.89 119.26 110.56 1qvx h ALA 987 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 1qvx h ALA 987 Cb 0.64 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1qvx h ALA 987 CO 0.13 0.92 -0.20 0.37 0.00 0.00 0.00 179.25 180.47 1qvx h GLN 988 N 0.09 0.66 -0.08 0.00 5.75 -1.62 0.50 115.11 120.41 1qvx h GLN 988 Ca -0.18 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.00 1qvx h GLN 988 Cb 2.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.52 1qvx h GLN 988 CO 0.22 0.81 -0.30 -0.22 -2.65 0.00 0.00 178.83 176.69 1qvx h LYS 989 N 0.58 0.15 -0.27 1.69 3.64 -1.58 -0.52 116.57 120.27 1qvx h LYS 989 Ca 0.09 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 1qvx h LYS 989 Cb 0.66 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1qvx h LYS 989 CO 0.05 0.45 -0.57 1.25 -2.27 0.00 0.00 179.45 178.36 1qvx h LEU 990 N 0.13 0.93 -0.62 5.20 5.85 -0.94 -3.03 115.31 122.83 1qvx h LEU 990 Ca 0.02 -0.51 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 1qvx h LEU 990 Cb 0.61 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1qvx h LEU 990 CO 0.04 1.30 -0.64 -0.07 -0.34 0.00 0.00 178.44 178.74 1qvx h LEU 991 N 0.63 0.00 -0.61 2.25 3.38 0.33 -0.28 115.31 121.03 1qvx h LEU 991 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qvx h LEU 991 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1qvx h LEU 991 CO 0.12 0.64 0.36 -1.13 0.09 0.00 0.00 178.44 178.53 1qvx h ASN 992 N 0.00 0.73 0.58 -0.43 -0.73 -1.09 -1.35 115.58 113.30 1qvx h ASN 992 Ca -0.01 -0.06 -0.23 0.00 1.87 0.00 0.00 56.30 57.87 1qvx h ASN 992 Cb 1.19 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.59 1qvx h ASN 992 CO 0.08 0.58 -1.02 0.28 -0.37 0.00 0.00 177.43 176.98 1qvx h SER 993 N 0.82 0.35 0.17 1.15 0.02 -1.32 -3.02 113.55 111.72 1qvx h SER 993 Ca 0.22 -0.31 -0.36 0.00 -0.84 0.00 0.00 61.79 60.50 1qvx h SER 993 Cb -0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1qvx h SER 993 CO -0.04 1.17 -2.00 -0.90 -1.14 0.00 0.00 176.83 173.91 1qvx n ASP 994 N -3.61 1.85 -0.21 3.07 5.75 -0.16 -1.79 116.55 121.46 1qvx n ASP 994 Ca -0.05 0.21 0.03 0.00 -0.01 0.00 0.00 54.79 54.96 1qvx n ASP 994 Cb 0.89 -0.65 0.28 0.00 -1.03 0.00 0.00 41.12 40.62 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1qvx h LEU 995 N 0.05 0.80 0.18 -2.12 7.12 -1.42 0.31 115.31 120.24 1qvx h LEU 995 Ca -0.42 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 1qvx h LEU 995 Cb 2.03 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.97 1qvx h LEU 995 CO 0.07 0.55 -0.09 0.00 -0.13 0.00 0.00 178.44 178.84 1qvx h ALA 996 N 1.56 -0.25 -0.41 1.25 0.00 -1.52 -0.70 119.26 119.19 1qvx h ALA 996 Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1qvx h ALA 996 Cb 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1qvx h ALA 996 CO -0.08 -0.64 0.05 1.05 0.00 0.00 0.00 179.25 179.63 1qvx h GLU 997 N -0.25 0.62 -0.32 0.00 4.11 -0.81 -2.98 114.58 114.95 1qvx h GLU 997 Ca -0.02 -0.13 -0.12 0.00 0.07 0.00 0.00 59.36 59.16 1qvx h GLU 997 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1qvx h GLU 997 CO 0.04 0.60 -0.27 -0.07 0.07 0.00 0.00 179.01 179.39 1qvx h LEU 998 N 0.60 0.78 -2.44 3.06 -0.00 -0.61 0.56 115.31 117.26 1qvx h LEU 998 Ca 0.13 -0.45 0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1qvx h LEU 998 Cb 0.30 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1qvx h LEU 998 CO 0.00 1.07 0.02 -0.29 -0.00 0.00 0.00 178.44 179.25 1qvx h ILE 999 N 0.50 0.53 -0.01 1.22 2.10 -0.99 0.37 117.51 121.24 1qvx h ILE 999 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.00 1qvx h ILE 999 Cb 0.83 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 1qvx h ILE 999 CO 0.07 0.00 -0.62 -0.46 -1.08 0.00 0.00 178.15 176.06 1qvx n ASN 1000N -3.85 1.21 0.09 2.19 0.23 -0.84 -2.73 115.26 111.55 1qvx n ASN 1000Ca -0.03 -1.11 -0.20 0.00 -0.53 0.00 0.00 54.58 52.72 1qvx n ASN 1000Cb 0.11 0.77 -0.15 0.00 -2.08 0.00 0.00 39.78 38.43 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1qvx h LYS 1001N 0.86 0.35 -0.15 -3.83 1.79 0.17 0.42 116.57 116.18 1qvx h LYS 1001Ca 0.00 -0.60 -0.17 0.00 -2.18 0.00 0.00 60.65 57.70 1qvx h LYS 1001Cb 0.49 0.22 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1qvx h LYS 1001CO 0.00 1.25 -0.58 0.52 -1.08 0.00 0.00 179.45 179.55 1qvx h MET 1002N 0.10 0.66 -0.21 3.15 2.86 -1.16 0.13 114.93 120.46 1qvx h MET 1002Ca -0.27 -0.51 0.02 0.00 -2.06 0.00 0.00 59.70 56.89 1qvx h MET 1002Cb 2.07 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.80 1qvx h MET 1002CO 0.19 1.13 0.06 -0.22 1.06 0.00 0.00 176.91 179.14 1qvx h LYS 1003N 0.34 0.16 -0.47 1.72 3.64 -1.59 -0.63 116.57 119.73 1qvx h LYS 1003Ca -0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1qvx h LYS 1003Cb 1.21 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1qvx h LYS 1003CO 0.12 0.10 0.27 1.25 -2.27 0.00 0.00 179.45 178.93 1qvx h LEU 1004N 0.16 0.43 -0.05 5.20 5.85 0.01 0.83 115.31 127.74 1qvx h LEU 1004Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1qvx h LEU 1004Cb 0.07 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1qvx h LEU 1004CO -0.10 0.30 0.02 0.00 -0.34 0.00 0.00 178.44 178.32 1qvx h ALA 1005N 1.22 0.07 0.00 1.25 0.00 -0.56 0.41 119.26 121.65 1qvx h ALA 1005Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 1005Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qvx h ALA 1005CO -0.10 -0.33 0.00 -0.56 0.00 0.00 0.00 179.25 178.26 1qvx h GLN 1006N -0.10 0.00 0.04 0.00 -0.00 -0.98 -2.15 115.11 111.93 1qvx h GLN 1006Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.44 1qvx h GLN 1006Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 1qvx h GLN 1006CO -0.00 0.00 -1.02 0.37 -0.00 0.00 0.00 178.83 178.18 1qvx h GLN 1007N 0.00 0.23 0.00 0.06 5.75 0.20 -3.39 115.11 117.97 1qvx h GLN 1007Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1qvx h GLN 1007Cb 0.32 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1qvx h GLN 1007CO 0.00 1.07 0.00 0.98 -2.65 0.00 0.00 178.83 178.23 1qvx n TYR 1008N -3.60 0.00 -2.77 3.99 9.36 0.00 -4.97 117.16 119.18 1qvx n TYR 1008Ca -0.05 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.95 1qvx n TYR 1008Cb 0.90 -0.16 0.02 0.00 -0.63 0.00 0.00 39.34 39.47 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N -0.97 -2.25 0.00 2.97 3.14 -1.05 -4.93 118.33 115.24 1qvx n VAL 1009Ca 0.00 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1qvx n VAL 1009Cb 0.00 -2.04 0.00 0.00 -1.06 0.00 0.00 33.84 30.74 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 -0.61 0.00 -2.94 1.45 2.81 -1.05 -4.91 117.12 111.87 1qvx n MET 1010Ca -0.10 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.39 1qvx n MET 1010Cb 0.43 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.89 1qvx n MET 1010CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1qvx s THR 1011N 1.37 4.86 -1.21 2.03 2.01 -1.26 -2.88 115.64 120.55 1qvx s THR 1011Ca 0.00 1.67 -0.31 0.00 0.31 0.00 0.00 61.69 63.36 1qvx s THR 1011Cb 0.00 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.40 1qvx s THR 1011CO 0.00 0.28 0.69 -1.54 -0.69 0.00 0.00 174.62 173.36 1qvx n SER 1012N 3.35 -4.25 -0.20 3.53 3.41 -1.26 -4.74 113.62 113.46 1qvx n SER 1012Ca -0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 1qvx n SER 1012Cb 0.51 -2.02 -0.06 0.00 -0.26 0.00 0.00 64.21 62.37 1qvx n SER 1012CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1qvx h LEU 1013N -2.48 -1.70 0.11 1.04 8.10 -1.88 -2.25 115.31 116.25 1qvx h LEU 1013Ca -0.71 0.25 -0.31 0.00 0.11 0.00 0.00 57.88 57.23 1qvx h LEU 1013Cb 1.40 0.74 -0.01 0.00 -0.44 0.00 0.00 40.66 42.34 1qvx h LEU 1013CO 0.52 -0.35 -1.67 1.56 -4.11 0.00 0.00 178.44 174.39 1qvx h GLN 1014N -0.26 0.22 -0.18 0.17 1.08 -1.87 -2.70 115.11 111.56 1qvx h GLN 1014Ca 0.14 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1qvx h GLN 1014Cb 0.56 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1qvx h GLN 1014CO -0.68 1.18 0.11 1.96 -0.95 0.00 0.00 178.83 180.45 1qvx h GLN 1015N -0.23 0.23 -0.34 1.46 4.20 -1.75 0.25 115.11 118.92 1qvx h GLN 1015Ca -0.37 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.40 1qvx h GLN 1015Cb 1.83 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.48 1qvx h GLN 1015CO 0.03 0.15 -0.20 1.49 -0.67 0.00 0.00 178.83 179.63 1qvx h GLU 1016N 0.23 -0.15 0.00 1.46 4.57 -1.84 0.23 114.58 119.08 1qvx h GLU 1016Ca 0.07 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1qvx h GLU 1016Cb -0.02 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1qvx h GLU 1016CO -0.02 -0.10 -0.29 1.88 -1.18 0.00 0.00 179.01 179.30 1qvx h TYR 1017N -0.16 0.00 -0.06 0.92 -1.99 -1.70 -2.73 116.97 111.25 1qvx h TYR 1017Ca 0.17 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 1qvx h TYR 1017Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1qvx h TYR 1017CO -0.41 0.29 -0.37 -0.22 -0.00 0.00 0.00 178.16 177.45 1qvx h LYS 1018N 0.00 0.13 0.73 4.88 3.64 0.16 0.49 116.57 126.60 1qvx h LYS 1018Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1qvx h LYS 1018Cb 0.82 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1qvx h LYS 1018CO 0.04 0.49 -0.35 0.87 -2.27 0.00 0.00 179.45 178.23 1qvx h LYS 1019N 0.11 -0.94 -0.71 1.90 1.57 -0.33 0.56 116.57 118.73 1qvx h LYS 1019Ca 0.01 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1qvx h LYS 1019Cb 0.71 0.21 -0.10 0.00 0.08 0.00 0.00 32.23 33.13 1qvx h LYS 1019CO 0.05 -0.61 0.21 1.96 -0.57 0.00 0.00 179.45 180.50 1qvx h GLN 1020N -1.05 0.32 0.16 3.15 4.20 -1.49 -0.34 115.11 120.06 1qvx h GLN 1020Ca -0.10 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.60 1qvx h GLN 1020Cb 0.76 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1qvx h GLN 1020CO 0.16 0.21 -0.23 1.98 -0.67 0.00 0.00 178.83 180.28 1qvx h MET 1021N 0.33 -0.44 -0.36 1.46 -1.53 0.30 -1.72 114.93 112.97 1qvx h MET 1021Ca 0.40 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.66 1qvx h MET 1021Cb 0.63 0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.77 1qvx h MET 1021CO -0.45 -0.29 0.12 1.25 0.14 0.00 0.00 176.91 177.68 1qvx h LEU 1022N -0.46 0.53 -1.65 3.39 6.46 0.59 0.16 115.31 124.34 1qvx h LEU 1022Ca 0.02 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1qvx h LEU 1022Cb 0.46 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1qvx h LEU 1022CO -0.10 0.59 0.08 0.74 -0.62 0.00 0.00 178.44 179.13 1qvx h THR 1023N 0.44 1.10 0.09 1.05 2.02 -1.03 -0.73 112.91 115.85 1qvx h THR 1023Ca 0.12 -0.30 -0.20 0.00 0.77 0.00 0.00 66.41 66.79 1qvx h THR 1023Cb 0.25 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1qvx h THR 1023CO -0.00 0.11 -0.84 0.00 0.37 0.00 0.00 175.52 175.16 1qvx h ALA 1024N 1.78 -0.03 -0.23 6.16 0.00 -0.76 -3.05 119.26 123.14 1qvx h ALA 1024Ca 0.08 -0.67 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1qvx h ALA 1024Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qvx h ALA 1024CO -0.01 0.43 0.15 0.00 0.00 0.00 0.00 179.25 179.82 1qvx h ALA 1025N 0.20 1.97 -0.32 0.00 0.00 -0.20 -0.65 119.26 120.26 1qvx h ALA 1025Ca -0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1qvx h ALA 1025Cb 1.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1qvx h ALA 1025CO 0.16 -0.01 -0.42 1.25 0.00 0.00 0.00 179.25 180.23 1qvx h HIS 1026N 0.19 0.96 -0.60 0.00 6.17 -1.15 0.66 115.15 121.38 1qvx h HIS 1026Ca 0.09 -0.30 0.01 0.00 0.71 0.00 0.00 60.37 60.89 1qvx h HIS 1026Cb 0.14 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 1qvx h HIS 1026CO -0.00 1.08 0.39 0.00 0.71 0.00 0.00 177.93 180.11 1qvx h ALA 1027N 0.88 0.76 0.45 5.26 0.00 -1.05 -1.36 119.26 124.20 1qvx h ALA 1027Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qvx h ALA 1027Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1qvx h ALA 1027CO 0.09 0.19 -0.22 1.25 0.00 0.00 0.00 179.25 180.56 1qvx h LEU 1028N 0.81 -0.51 -1.32 0.00 6.46 -1.03 0.31 115.31 120.02 1qvx h LEU 1028Ca 0.22 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 1qvx h LEU 1028Cb -0.09 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 1qvx h LEU 1028CO -0.05 -0.30 0.52 0.00 -0.62 0.00 0.00 178.44 177.99 1qvx h ALA 1029N -0.18 1.72 -0.04 1.25 0.00 -0.77 0.39 119.26 121.64 1qvx h ALA 1029Ca -0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1qvx h ALA 1029Cb 0.51 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qvx h ALA 1029CO 0.10 0.12 -0.81 0.28 0.00 0.00 0.00 179.25 178.95 1qvx h VAL 1030N 0.77 1.33 0.00 0.00 2.07 -1.10 -2.93 116.25 116.39 1qvx h VAL 1030Ca 0.36 -2.10 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1qvx h VAL 1030Cb 0.39 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1qvx h VAL 1030CO -0.14 0.64 -0.35 0.44 0.02 0.00 0.00 177.57 178.18 1qvx h ASP 1031N 0.24 0.00 -0.33 0.57 3.32 0.07 -0.12 116.42 120.17 1qvx h ASP 1031Ca -0.09 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.03 1qvx h ASP 1031Cb 1.47 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.95 1qvx h ASP 1031CO 0.16 0.35 -0.14 0.00 -1.72 0.00 0.00 179.24 177.90 1qvx h ALA 1032N 1.65 0.14 0.00 3.45 0.00 -0.28 -1.30 119.26 122.91 1qvx h ALA 1032Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qvx h ALA 1032Cb 0.62 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qvx h ALA 1032CO 0.05 -0.52 0.00 0.87 0.00 0.00 0.00 179.25 179.65 1qvx h LYS 1033N -0.08 0.00 -0.02 0.00 1.57 -0.89 -2.29 116.57 114.86 1qvx h LYS 1033Ca 0.17 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 1qvx h LYS 1033Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1qvx h LYS 1033CO -0.38 0.00 -0.93 -0.97 -0.57 0.00 0.00 179.45 176.60 1qvx h ASN 1034N 0.00 0.68 1.49 0.86 -1.24 0.02 -2.99 115.58 114.40 1qvx h ASN 1034Ca 0.00 -0.52 -0.01 0.00 0.71 0.00 0.00 56.30 56.48 1qvx h ASN 1034Cb 0.18 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1qvx h ASN 1034CO 0.00 1.31 -0.03 0.25 -1.29 0.00 0.00 177.43 177.67 1qvx h LEU 1035N 0.32 0.00 -0.01 0.34 5.85 -1.24 -1.46 115.31 119.11 1qvx h LEU 1035Ca -0.09 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 1035Cb 1.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 1qvx h LEU 1035CO 0.17 0.03 -0.08 0.25 -0.34 0.00 0.00 178.44 178.47 1qvx h LEU 1036N 0.00 -0.23 -0.77 2.25 5.85 -1.35 0.37 115.31 121.43 1qvx h LEU 1036Ca -0.00 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 1036Cb 0.79 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1qvx h LEU 1036CO 0.00 -0.12 -0.58 0.44 -0.34 0.00 0.00 178.44 177.85 1qvx h ASP 1037N -0.13 0.14 0.74 1.25 5.19 -1.43 0.16 116.42 122.34 1qvx h ASP 1037Ca 0.04 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1qvx h ASP 1037Cb 0.18 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1qvx h ASP 1037CO -0.09 0.69 -0.36 0.58 -3.12 0.00 0.00 179.24 176.94 1qvx h VAL 1038N 0.10 0.00 0.00 -1.35 2.07 -0.64 0.45 116.25 116.88 1qvx h VAL 1038Ca -0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1qvx h VAL 1038Cb 1.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1qvx h VAL 1038CO 0.08 0.00 -0.42 0.40 0.02 0.00 0.00 177.57 177.65 1qvx h ILE 1039N -1.02 0.78 -0.70 4.57 2.04 -0.34 0.52 117.51 123.36 1qvx h ILE 1039Ca -0.10 -1.91 -0.02 0.00 1.00 0.00 0.00 64.86 63.83 1qvx h ILE 1039Cb 0.77 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1qvx h ILE 1039CO 0.17 0.41 0.35 -0.78 0.00 0.00 0.00 178.15 178.31 1qvx h ASP 1040N 0.00 0.89 0.34 1.72 3.58 -0.73 0.44 116.42 122.66 1qvx h ASP 1040Ca -0.00 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 1qvx h ASP 1040Cb 1.21 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1qvx h ASP 1040CO 0.05 0.74 -0.53 1.56 -2.88 0.00 0.00 179.24 178.19 1qvx h GLN 1041N 0.99 0.21 -0.61 0.28 1.08 0.11 -2.65 115.11 114.52 1qvx h GLN 1041Ca 0.25 -0.13 0.08 0.00 -1.45 0.00 0.00 58.65 57.40 1qvx h GLN 1041Cb 0.08 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.45 1qvx h GLN 1041CO -0.03 0.69 0.26 0.00 -0.95 0.00 0.00 178.83 178.80 1qvx h ALA 1042N 1.29 0.80 -0.69 3.87 0.00 0.12 1.39 119.26 126.04 1qvx h ALA 1042Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1qvx h ALA 1042Cb 0.98 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1qvx h ALA 1042CO 0.08 -0.13 -0.18 -0.09 0.00 0.00 0.00 179.25 178.93 1qvx h ARG 1043N 0.48 -0.01 0.00 0.00 1.12 0.18 0.28 114.38 116.43 1qvx h ARG 1043Ca 0.30 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1qvx h ARG 1043Cb 0.32 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1qvx h ARG 1043CO -0.26 -0.01 -0.09 1.25 -3.11 0.00 0.00 179.97 177.76 1qvx h LEU 1044N -0.01 0.00 -0.65 3.80 6.46 -0.90 -3.07 115.31 120.93 1qvx h LEU 1044Ca 0.33 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1qvx h LEU 1044Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1qvx h LEU 1044CO -0.71 0.09 0.10 0.11 -0.62 0.00 0.00 178.44 177.40 1qvx h LYS 1045N 0.00 1.08 -0.54 1.25 1.79 0.38 0.96 116.57 121.50 1qvx h LYS 1045Ca -0.00 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1qvx h LYS 1045Cb 1.05 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 1qvx h LYS 1045CO 0.01 1.00 0.33 1.98 -1.08 0.00 0.00 179.45 181.69 1qvx h MET 1046N 1.00 0.72 -0.13 3.15 4.05 -0.46 -0.42 114.93 122.85 1qvx h MET 1046Ca 0.20 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1qvx h MET 1046Cb 0.44 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1qvx h MET 1046CO 0.01 0.51 0.03 0.82 0.23 0.00 0.00 176.91 178.52 1qvx h ILE 1047N 0.72 1.20 -0.98 1.77 1.08 -1.40 -2.15 117.51 117.76 1qvx h ILE 1047Ca 0.19 -0.62 0.24 0.00 -0.39 0.00 0.00 64.86 64.28 1qvx h ILE 1047Cb -0.03 1.37 -0.08 0.00 -3.07 0.00 0.00 36.82 35.01 1qvx h ILE 1047CO -0.04 0.18 0.64 -1.28 -0.69 0.00 0.00 178.15 176.97 1qvx h SER 1048N 0.00 0.40 0.00 1.72 0.87 0.15 0.58 113.55 117.28 1qvx h SER 1048Ca 0.04 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1qvx h SER 1048Cb 0.26 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1qvx h SER 1048CO 0.00 0.12 -0.00 -0.61 -0.53 0.00 0.00 176.83 175.81 1qvx h GLN 1049N 0.38 -0.00 -0.21 2.24 -0.00 -0.97 -3.22 115.11 113.34 1qvx h GLN 1049Ca 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.16 1qvx h GLN 1049Cb 1.38 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.85 1qvx h GLN 1049CO -0.22 0.95 0.05 0.77 0.00 0.00 0.00 178.83 180.38 1qvx h SER 1050N -0.96 0.32 -0.33 -0.69 0.02 -0.67 -3.44 113.55 107.81 1qvx h SER 1050Ca -0.00 -0.24 0.18 0.00 -0.84 0.00 0.00 61.79 60.89 1qvx h SER 1050Cb 0.95 -0.08 -0.19 0.00 0.14 0.00 0.00 62.40 63.22 1qvx h SER 1050CO 0.00 0.48 -0.07 -0.60 -1.14 0.00 0.00 176.83 175.50 1qvx s ARG 1051N -5.25 0.20 0.00 3.45 3.00 0.20 -5.09 118.95 115.45 1qvx s ARG 1051Ca -0.14 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.73 1qvx s ARG 1051Cb 0.07 0.07 0.00 0.00 0.00 0.00 0.00 34.95 35.09 1qvx s ARG 1051CO 0.72 -0.36 0.57 -0.35 0.00 0.00 0.00 175.30 175.88 1qvx n PRO 1052N 4.90 0.00 0.00 5.12 -0.04 -1.16 -4.44 135.00 139.39 1qvx n PRO 1052Ca 0.09 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1qvx n PRO 1052Cb 0.58 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1qvx n PRO 1052CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18