#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 6.45 -1.01 6.15 0.01 -1.26 -4.80 113.70 119.24 1qvx s SER 921 Ca 0.00 2.74 -0.25 0.00 1.31 0.00 0.00 55.95 59.75 1qvx s SER 921 Cb 0.00 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.51 1qvx s SER 921 CO 0.00 -0.97 2.11 0.20 0.41 0.00 0.00 173.24 174.99 1qvx s ASN 922 N 2.24 4.21 0.56 2.44 -0.87 -1.26 -4.88 114.94 117.38 1qvx s ASN 922 Ca 0.78 -0.86 -0.04 0.00 -1.57 0.00 0.00 52.86 51.17 1qvx s ASN 922 Cb -0.46 -2.58 0.06 0.00 -0.02 0.00 0.00 41.25 38.25 1qvx s ASN 922 CO 0.35 -3.82 0.13 -0.67 -2.57 0.00 0.00 177.10 170.51 1qvx n ASP 923 N 17.23 -1.58 -0.33 -1.22 2.03 -1.26 -3.51 116.55 127.91 1qvx n ASP 923 Ca 0.43 -0.13 0.30 0.00 0.52 0.00 0.00 54.79 55.92 1qvx n ASP 923 Cb 0.46 -0.28 0.47 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.47 0.01 0.08 -0.67 0.00 -1.26 0.35 118.16 116.20 1qvx n LYS 924 Ca 0.02 0.84 -0.12 0.00 0.00 0.00 0.00 58.31 59.05 1qvx n LYS 924 Cb 0.09 -2.03 -0.05 0.00 0.00 0.00 0.00 35.03 33.04 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 0.49 -0.00 3.15 -1.51 -1.87 0.52 116.25 117.02 1qvx h VAL 925 Ca 0.53 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.80 1qvx h VAL 925 Cb 2.63 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 1qvx h VAL 925 CO -0.01 0.00 -0.88 0.22 -1.23 0.00 0.00 177.57 175.67 1qvx h TYR 926 N -0.38 0.41 -0.21 5.19 3.20 -0.14 -3.05 116.97 121.99 1qvx h TYR 926 Ca 0.05 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 1qvx h TYR 926 Cb 0.44 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1qvx h TYR 926 CO -0.24 1.03 -0.02 1.49 -1.64 0.00 0.00 178.16 178.78 1qvx h GLU 927 N 0.16 0.39 -0.11 1.82 4.22 -1.42 -2.38 114.58 117.26 1qvx h GLU 927 Ca -0.05 -0.14 -0.23 0.00 0.08 0.00 0.00 59.36 59.03 1qvx h GLU 927 Cb 1.51 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.74 1qvx h GLU 927 CO 0.14 0.61 -0.82 -0.97 -2.18 0.00 0.00 179.01 175.78 1qvx h ASN 928 N 0.13 0.85 -0.08 1.04 -1.24 -0.93 0.32 115.58 115.68 1qvx h ASN 928 Ca 0.06 -0.59 -0.06 0.00 0.71 0.00 0.00 56.30 56.42 1qvx h ASN 928 Cb 0.45 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1qvx h ASN 928 CO 0.02 1.38 -0.13 0.58 -1.29 0.00 0.00 177.43 177.98 1qvx h VAL 929 N 0.47 1.22 0.00 2.57 2.07 -1.56 0.31 116.25 121.32 1qvx h VAL 929 Ca -0.06 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1qvx h VAL 929 Cb 1.45 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1qvx h VAL 929 CO 0.16 0.31 -0.47 0.71 0.02 0.00 0.00 177.57 178.30 1qvx h THR 930 N 0.38 1.09 -0.06 2.57 1.35 -1.33 -1.70 112.91 115.20 1qvx h THR 930 Ca 0.07 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 1qvx h THR 930 Cb 0.46 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1qvx h THR 930 CO 0.03 0.46 -0.00 1.23 -0.25 0.00 0.00 175.52 176.99 1qvx h GLY 931 N 2.07 0.08 1.22 5.82 0.00 0.14 -0.03 103.07 112.37 1qvx h GLY 931 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1qvx h GLY 931 CO 0.06 0.03 0.27 -2.00 0.00 0.00 0.00 176.54 174.91 1qvx h LEU 932 N 0.08 0.92 -0.58 3.11 6.46 0.43 0.11 115.31 125.83 1qvx h LEU 932 Ca 0.02 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.58 1qvx h LEU 932 Cb 0.06 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1qvx h LEU 932 CO 0.00 0.82 0.09 0.58 -0.62 0.00 0.00 178.44 179.31 1qvx h VAL 933 N 0.98 1.26 -0.36 1.05 2.07 -1.11 -1.32 116.25 118.82 1qvx h VAL 933 Ca 0.23 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1qvx h VAL 933 Cb 0.19 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1qvx h VAL 933 CO -0.02 0.37 0.20 0.11 0.02 0.00 0.00 177.57 178.24 1qvx h LYS 934 N 0.87 0.48 0.00 1.57 1.79 -0.10 0.77 116.57 121.94 1qvx h LYS 934 Ca 0.18 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 1qvx h LYS 934 Cb 0.43 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1qvx h LYS 934 CO 0.01 0.36 -0.59 0.00 -1.08 0.00 0.00 179.45 178.15 1qvx h ALA 935 N 1.73 0.65 0.00 3.86 0.00 -0.41 -1.14 119.26 123.95 1qvx h ALA 935 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qvx h ALA 935 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1qvx h ALA 935 CO -0.02 0.74 -0.17 1.55 0.00 0.00 0.00 179.25 181.34 1qvx n VAL 936 N -3.29 0.22 -0.09 0.00 3.14 -0.53 -1.43 118.33 116.35 1qvx n VAL 936 Ca 0.01 -0.12 -0.14 0.00 -2.96 0.00 0.00 64.34 61.13 1qvx n VAL 936 Cb 0.75 -0.35 -0.04 0.00 -1.06 0.00 0.00 33.84 33.14 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 1.29 -0.79 1.55 2.04 -0.32 -1.81 117.51 119.47 1qvx h ILE 937 Ca 0.00 -1.60 0.11 0.00 1.00 0.00 0.00 64.86 64.38 1qvx h ILE 937 Cb 0.60 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1qvx h ILE 937 CO 0.00 0.52 0.41 -0.33 0.00 0.00 0.00 178.15 178.75 1qvx h GLU 938 N 0.57 0.63 -0.90 2.37 4.39 -0.73 0.13 114.58 121.04 1qvx h GLU 938 Ca 0.03 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1qvx h GLU 938 Cb 1.01 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1qvx h GLU 938 CO 0.10 0.42 0.58 1.98 -1.16 0.00 0.00 179.01 180.92 1qvx h MET 939 N 0.65 1.08 -0.45 2.33 4.05 -1.03 0.38 114.93 121.93 1qvx h MET 939 Ca 0.41 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.65 1qvx h MET 939 Cb 0.48 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1qvx h MET 939 CO -0.30 0.71 -0.15 0.77 0.23 0.00 0.00 176.91 178.16 1qvx h SER 940 N 1.11 0.91 0.03 1.39 0.02 -0.32 -2.53 113.55 114.16 1qvx h SER 940 Ca 0.37 -0.38 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 1qvx h SER 940 Cb 0.05 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.36 1qvx h SER 940 CO -0.13 1.09 -1.03 0.77 -1.14 0.00 0.00 176.83 176.38 1qvx h SER 941 N 0.73 0.86 -0.35 3.07 4.64 -0.53 -3.11 113.55 118.86 1qvx h SER 941 Ca 0.11 -0.76 0.07 0.00 -0.47 0.00 0.00 61.79 60.73 1qvx h SER 941 Cb 0.71 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 1qvx h SER 941 CO 0.05 1.52 -0.05 0.11 -0.87 0.00 0.00 176.83 177.59 1qvx h LYS 942 N 0.30 0.04 0.00 4.77 1.79 -0.27 -2.53 116.57 120.66 1qvx h LYS 942 Ca -0.14 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.24 1qvx h LYS 942 Cb 1.70 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.33 1qvx h LYS 942 CO 0.20 0.03 -0.44 0.97 -1.08 0.00 0.00 179.45 179.13 1qvx h ILE 943 N 0.04 1.09 0.45 1.86 2.10 -1.47 -2.81 117.51 118.77 1qvx h ILE 943 Ca 0.17 -1.63 -0.02 0.00 1.08 0.00 0.00 64.86 64.47 1qvx h ILE 943 Cb 0.25 1.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1qvx h ILE 943 CO -0.33 0.43 -0.34 1.56 -1.08 0.00 0.00 178.15 178.39 1qvx h GLN 944 N 0.00 -0.74 0.00 2.19 4.20 -1.38 -3.32 115.11 116.07 1qvx h GLN 944 Ca -0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1qvx h GLN 944 Cb 0.90 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1qvx h GLN 944 CO 0.06 -0.49 -1.05 -0.35 -0.67 0.00 0.00 178.83 176.33 1qvx n PRO 945 N -4.50 0.14 -3.66 1.46 -0.04 -1.25 -4.98 135.00 122.17 1qvx n PRO 945 Ca -0.09 -0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1qvx n PRO 945 Cb 0.33 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.10 3.80 1.05 0.55 0.00 -1.06 -5.10 121.76 117.90 1qvx s ALA 946 Ca 0.06 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 1qvx s ALA 946 Cb 0.16 -2.08 0.24 0.00 0.00 0.00 0.00 23.12 21.43 1qvx s ALA 946 CO 0.84 0.54 1.27 -2.14 0.00 0.00 0.00 175.76 176.26 1qvx s PRO 947 N -3.01 -0.06 0.57 0.00 0.02 -1.26 -4.79 135.00 126.47 1qvx s PRO 947 Ca 0.40 -0.36 0.27 0.00 0.02 0.00 0.00 61.00 61.33 1qvx s PRO 947 Cb -0.12 -1.76 1.52 0.00 0.02 0.00 0.00 34.50 34.17 1qvx s PRO 947 CO 0.27 -2.89 2.05 -1.35 -0.33 0.00 0.00 177.00 174.75 1qvx h PRO 948 N -1.99 0.00 -0.32 5.54 0.11 -1.99 0.37 132.00 133.72 1qvx h PRO 948 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1qvx h PRO 948 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qvx h PRO 948 CO 0.34 0.00 0.28 0.93 -0.21 0.00 0.00 178.00 179.35 1qvx h GLU 949 N 0.00 0.00 -0.01 1.05 5.08 -2.00 0.34 114.58 119.04 1qvx h GLU 949 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1qvx h GLU 949 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1qvx h GLU 949 CO -0.00 0.00 -0.46 0.39 -1.00 0.00 0.00 179.01 177.94 1qvx n GLU 950 N -4.04 1.34 -0.24 2.33 4.71 0.12 -4.20 120.64 120.66 1qvx n GLU 950 Ca 0.05 -0.87 -0.01 0.00 -0.01 0.00 0.00 57.16 56.32 1qvx n GLU 950 Cb 0.45 -1.41 0.11 0.00 -1.01 0.00 0.00 31.44 29.58 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 2.07 0.71 0.05 -0.32 -1.99 0.26 0.56 116.97 118.32 1qvx h TYR 951 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1qvx h TYR 951 Cb 0.67 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1qvx h TYR 951 CO 0.00 0.33 -0.02 -0.24 -0.00 0.00 0.00 178.16 178.23 1qvx h VAL 952 N 0.71 1.30 -0.87 -2.88 3.04 -1.73 -3.14 116.25 112.69 1qvx h VAL 952 Ca 0.32 -1.55 0.22 0.00 -1.01 0.00 0.00 66.70 64.68 1qvx h VAL 952 Cb 0.22 2.27 -0.05 0.00 -2.01 0.00 0.00 31.29 31.71 1qvx h VAL 952 CO -0.20 0.37 0.60 -0.65 -1.01 0.00 0.00 177.57 176.68 1qvx h PRO 953 N -0.80 0.23 0.50 4.17 0.11 -1.69 0.59 132.00 135.11 1qvx h PRO 953 Ca -0.01 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1qvx h PRO 953 Cb 0.65 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1qvx h PRO 953 CO 0.01 0.15 -0.24 1.98 -0.21 0.00 0.00 178.00 179.69 1qvx h MET 954 N 0.23 -0.65 0.00 1.05 1.85 0.09 -0.40 114.93 117.10 1qvx h MET 954 Ca 0.44 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.55 1qvx h MET 954 Cb 1.34 0.15 -0.00 0.00 0.43 0.00 0.00 31.60 33.52 1qvx h MET 954 CO -0.11 -0.43 -0.10 0.28 -0.40 0.00 0.00 176.91 176.15 1qvx h VAL 955 N -0.67 0.73 0.00 -5.77 2.07 -1.37 -1.07 116.25 110.16 1qvx h VAL 955 Ca -0.07 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1qvx h VAL 955 Cb 0.52 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1qvx h VAL 955 CO 0.11 0.10 -0.18 0.50 0.02 0.00 0.00 177.57 178.12 1qvx h LYS 956 N 0.00 0.00 -0.37 1.57 1.63 0.30 0.24 116.57 119.93 1qvx h LYS 956 Ca -0.00 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1qvx h LYS 956 Cb 0.24 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1qvx h LYS 956 CO 0.01 0.18 0.23 0.93 -3.45 0.00 0.00 179.45 177.35 1qvx h GLU 957 N 0.00 0.45 0.00 1.90 4.39 0.25 0.31 114.58 121.88 1qvx h GLU 957 Ca -0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1qvx h GLU 957 Cb 0.39 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1qvx h GLU 957 CO 0.02 0.30 -0.25 -0.39 -1.16 0.00 0.00 179.01 177.53 1qvx h VAL 958 N 0.46 0.59 -0.20 3.13 -1.51 -1.10 -1.73 116.25 115.89 1qvx h VAL 958 Ca 0.15 -1.22 -0.12 0.00 -1.23 0.00 0.00 66.70 64.27 1qvx h VAL 958 Cb -0.01 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1qvx h VAL 958 CO -0.06 0.25 -0.34 1.23 -1.23 0.00 0.00 177.57 177.42 1qvx h GLY 959 N 2.21 0.64 1.33 5.19 0.00 0.01 -2.33 103.07 110.12 1qvx h GLY 959 Ca -0.00 -0.73 0.06 0.00 0.00 0.00 0.00 47.33 46.66 1qvx h GLY 959 CO 0.03 0.66 0.31 -2.00 0.00 0.00 0.00 176.54 175.54 1qvx h LEU 960 N 0.26 0.34 0.57 3.11 5.85 -0.29 -0.75 115.31 124.40 1qvx h LEU 960 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1qvx h LEU 960 Cb 0.93 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1qvx h LEU 960 CO 0.08 0.22 -0.33 0.00 -0.34 0.00 0.00 178.44 178.07 1qvx h ALA 961 N 1.75 -0.84 -0.05 1.25 0.00 -0.80 0.26 119.26 120.83 1qvx h ALA 961 Ca 0.20 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 961 Cb 0.31 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1qvx h ALA 961 CO -0.05 -0.99 -0.57 1.25 0.00 0.00 0.00 179.25 178.90 1qvx h LEU 962 N -0.84 0.16 0.41 0.00 6.46 -1.28 0.18 115.31 120.41 1qvx h LEU 962 Ca -0.07 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1qvx h LEU 962 Cb 0.67 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1qvx h LEU 962 CO 0.08 0.70 -0.29 -0.09 -0.62 0.00 0.00 178.44 178.23 1qvx h ARG 963 N 0.11 -0.66 -0.39 1.25 2.43 -0.98 0.47 114.38 116.61 1qvx h ARG 963 Ca -0.00 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1qvx h ARG 963 Cb 1.04 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1qvx h ARG 963 CO 0.08 -0.44 0.26 1.15 -1.51 0.00 0.00 179.97 179.52 1qvx h THR 964 N -0.68 1.01 -0.32 0.20 2.02 -0.38 0.71 112.91 115.46 1qvx h THR 964 Ca -0.04 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1qvx h THR 964 Cb 0.58 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1qvx h THR 964 CO 0.02 0.07 0.02 0.25 0.37 0.00 0.00 175.52 176.25 1qvx h LEU 965 N 0.39 0.46 -2.12 2.58 7.12 0.01 -1.75 115.31 121.99 1qvx h LEU 965 Ca 0.16 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1qvx h LEU 965 Cb 0.16 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1qvx h LEU 965 CO -0.04 0.51 -0.07 0.25 -0.13 0.00 0.00 178.44 178.96 1qvx h LEU 966 N 0.48 0.00 -0.39 2.25 5.85 0.24 0.36 115.31 124.09 1qvx h LEU 966 Ca 0.11 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1qvx h LEU 966 Cb 0.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1qvx h LEU 966 CO 0.01 0.07 -0.06 0.00 -0.34 0.00 0.00 178.44 178.12 1qvx h ALA 967 N 1.93 0.54 -0.66 1.25 0.00 -1.17 -2.13 119.26 119.02 1qvx h ALA 967 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1qvx h ALA 967 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1qvx h ALA 967 CO 0.01 0.37 0.32 1.15 0.00 0.00 0.00 179.25 181.10 1qvx h THR 968 N 0.55 1.21 -0.29 0.00 2.02 -0.67 -0.91 112.91 114.81 1qvx h THR 968 Ca 0.10 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1qvx h THR 968 Cb 0.56 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1qvx h THR 968 CO 0.03 0.25 0.20 0.58 0.37 0.00 0.00 175.52 176.95 1qvx h VAL 969 N 0.93 0.94 0.00 3.16 2.07 -0.16 0.10 116.25 123.30 1qvx h VAL 969 Ca 0.23 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.63 1qvx h VAL 969 Cb 0.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1qvx h VAL 969 CO -0.03 0.03 -0.30 -0.78 0.02 0.00 0.00 177.57 176.50 1qvx h ASP 970 N 0.16 0.00 0.18 0.57 3.58 -0.50 0.81 116.42 121.21 1qvx h ASP 970 Ca 0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1qvx h ASP 970 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1qvx h ASP 970 CO -0.02 0.30 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.23 1qvx h GLU 971 N 0.00 -0.23 0.00 0.28 4.39 -0.71 -3.30 114.58 115.01 1qvx h GLU 971 Ca -0.00 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 971 Cb 1.07 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1qvx h GLU 971 CO 0.04 0.18 -0.21 1.03 -1.16 0.00 0.00 179.01 178.89 1qvx h SER 972 N -0.77 0.00 0.28 1.42 0.87 -0.72 -3.20 113.55 111.44 1qvx h SER 972 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1qvx h SER 972 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1qvx h SER 972 CO 0.04 0.21 -0.14 0.25 -0.53 0.00 0.00 176.83 176.66 1qvx h LEU 973 N 0.00 -0.32 -1.78 2.23 5.85 0.57 0.64 115.31 122.49 1qvx h LEU 973 Ca -0.00 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 973 Cb 0.51 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1qvx h LEU 973 CO 0.03 -0.12 0.43 -0.65 -0.34 0.00 0.00 178.44 177.78 1qvx h PRO 974 N -0.51 0.22 0.00 5.25 0.11 -1.67 0.25 132.00 135.65 1qvx h PRO 974 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 974 Cb 0.38 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1qvx h PRO 974 CO 0.06 0.14 0.00 0.28 -0.21 0.00 0.00 178.00 178.28 1qvx n VAL 975 N -4.43 0.29 0.13 3.15 0.31 -0.45 -3.28 118.33 114.05 1qvx n VAL 975 Ca 0.11 0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1qvx n VAL 975 Cb 0.54 -0.64 -0.08 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.27 -1.49 7.52 6.46 0.38 0.55 115.31 128.47 1qvx h LEU 976 Ca 0.00 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1qvx h LEU 976 Cb 0.46 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1qvx h LEU 976 CO 0.00 0.04 0.11 -0.65 -0.62 0.00 0.00 178.44 177.32 1qvx h PRO 977 N -0.60 0.45 0.34 5.25 0.11 -1.61 -1.62 132.00 134.32 1qvx h PRO 977 Ca -0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1qvx h PRO 977 Cb 0.43 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1qvx h PRO 977 CO 0.05 0.39 -0.32 0.00 -0.21 0.00 0.00 178.00 177.92 1qvx h ALA 978 N 1.68 -0.69 0.00 -0.75 0.00 -1.50 -3.46 119.26 114.54 1qvx h ALA 978 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qvx h ALA 978 Cb 0.13 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qvx h ALA 978 CO -0.01 -0.92 0.00 0.43 0.00 0.00 0.00 179.25 178.75 1qvx n SER 979 N -5.44 0.00 0.31 0.00 7.64 0.29 -4.82 113.62 111.60 1qvx n SER 979 Ca -0.10 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.98 1qvx n SER 979 Cb 0.34 0.00 1.01 0.00 -1.01 0.00 0.00 64.21 64.55 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qvx h THR 980 N 0.00 0.10 -0.18 0.44 2.02 0.10 -3.25 112.91 112.14 1qvx h THR 980 Ca 0.00 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.04 1qvx h THR 980 Cb 0.00 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1qvx h THR 980 CO 0.00 0.01 0.50 1.12 0.37 0.00 0.00 175.52 177.52 1qvx h HIS 981 N 0.00 0.00 0.25 3.16 -0.00 -1.49 -0.24 115.15 116.82 1qvx h HIS 981 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1qvx h HIS 981 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1qvx h HIS 981 CO 0.00 0.00 -0.12 -0.09 -0.00 0.00 0.00 177.93 177.72 1qvx h ARG 982 N 0.00 -0.32 0.09 5.12 2.43 -1.86 -2.88 114.38 116.97 1qvx h ARG 982 Ca 0.08 0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1qvx h ARG 982 Cb 1.08 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1qvx h ARG 982 CO -0.00 0.04 -0.88 0.93 -1.51 0.00 0.00 179.97 178.55 1qvx h GLU 983 N -0.79 0.44 0.00 0.20 3.07 -1.40 -2.89 114.58 113.20 1qvx h GLU 983 Ca -0.03 -0.59 -0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1qvx h GLU 983 Cb 0.51 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1qvx h GLU 983 CO 0.06 1.24 -0.01 0.97 -1.40 0.00 0.00 179.01 179.87 1qvx h ILE 984 N -0.09 0.92 -0.06 3.13 6.09 -1.26 0.33 117.51 126.57 1qvx h ILE 984 Ca -0.14 -0.04 -0.21 0.00 -1.37 0.00 0.00 64.86 63.10 1qvx h ILE 984 Cb 1.62 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.94 1qvx h ILE 984 CO 0.17 0.01 -0.83 -0.33 -3.07 0.00 0.00 178.15 174.10 1qvx h GLU 985 N 0.00 0.51 0.15 2.19 5.08 -1.57 -2.49 114.58 118.45 1qvx h GLU 985 Ca -0.00 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1qvx h GLU 985 Cb 0.02 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qvx h GLU 985 CO 0.00 1.10 -0.07 0.00 -1.00 0.00 0.00 179.01 179.04 1qvx h MET 986 N 0.33 -0.20 0.05 2.33 -0.00 -0.21 -3.00 114.93 114.23 1qvx h MET 986 Ca -0.06 0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.54 1qvx h MET 986 Cb 1.44 0.05 0.01 0.00 -0.00 0.00 0.00 31.60 33.10 1qvx h MET 986 CO 0.15 0.19 -0.49 0.00 -0.00 0.00 0.00 176.91 176.76 1qvx h ALA 987 N 0.07 -0.01 -0.73 -3.00 0.00 -1.19 -3.10 119.26 111.30 1qvx h ALA 987 Ca -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1qvx h ALA 987 Cb 0.48 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1qvx h ALA 987 CO 0.03 0.23 0.45 0.37 0.00 0.00 0.00 179.25 180.33 1qvx h GLN 988 N -0.47 0.99 -0.82 0.00 5.75 -1.59 1.13 115.11 120.10 1qvx h GLN 988 Ca -0.08 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1qvx h GLN 988 Cb 1.31 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 1qvx h GLN 988 CO 0.09 0.69 0.54 -0.22 -2.65 0.00 0.00 178.83 177.28 1qvx h LYS 989 N 1.01 1.05 -0.11 1.69 3.64 -1.63 -0.71 116.57 121.50 1qvx h LYS 989 Ca 0.26 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 989 Cb -0.05 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 1qvx h LYS 989 CO -0.05 0.70 -0.68 1.25 -2.27 0.00 0.00 179.45 178.40 1qvx h LEU 990 N 1.08 0.55 0.01 5.20 5.85 -0.72 -3.10 115.31 124.19 1qvx h LEU 990 Ca 0.31 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 990 Cb -0.09 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1qvx h LEU 990 CO -0.08 1.07 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.02 1qvx h LEU 991 N 0.34 -0.01 -0.85 2.25 3.38 0.17 -1.01 115.31 119.57 1qvx h LEU 991 Ca -0.02 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1qvx h LEU 991 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1qvx h LEU 991 CO 0.12 0.02 0.52 -1.13 0.09 0.00 0.00 178.44 178.07 1qvx h ASN 992 N -0.05 0.80 0.52 -0.43 -0.73 -1.16 0.86 115.58 115.38 1qvx h ASN 992 Ca -0.00 0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.00 1qvx h ASN 992 Cb 0.05 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1qvx h ASN 992 CO 0.00 0.50 -0.85 0.77 -0.37 0.00 0.00 177.43 177.48 1qvx h SER 993 N 0.93 0.30 0.08 1.15 4.64 -1.43 -2.97 113.55 116.25 1qvx h SER 993 Ca 0.38 -0.23 -0.35 0.00 -0.47 0.00 0.00 61.79 61.12 1qvx h SER 993 Cb 0.22 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1qvx h SER 993 CO -0.19 1.02 -1.99 0.47 -0.87 0.00 0.00 176.83 175.27 1qvx n ASP 994 N -3.70 2.06 -0.32 4.97 9.92 -0.40 -2.85 116.55 126.23 1qvx n ASP 994 Ca -0.04 0.19 -0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1qvx n ASP 994 Cb 0.79 -0.81 0.17 0.00 -0.64 0.00 0.00 41.12 40.62 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 -0.14 1.04 -0.34 0.64 7.12 -1.04 -2.69 115.31 119.91 1qvx h LEU 995 Ca -0.45 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 57.60 1qvx h LEU 995 Cb 1.89 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.72 1qvx h LEU 995 CO -0.00 0.74 0.01 0.00 -0.13 0.00 0.00 178.44 179.06 1qvx h ALA 996 N 1.44 0.31 -0.93 1.25 0.00 -1.60 -0.65 119.26 119.08 1qvx h ALA 996 Ca 0.35 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1qvx h ALA 996 Cb -0.09 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1qvx h ALA 996 CO -0.09 -0.39 0.60 0.93 0.00 0.00 0.00 179.25 180.30 1qvx h GLU 997 N 0.11 1.05 0.00 0.00 4.39 -1.33 -0.75 114.58 118.04 1qvx h GLU 997 Ca 0.16 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 1qvx h GLU 997 Cb 0.22 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1qvx h GLU 997 CO -0.26 0.69 -0.51 1.25 -1.16 0.00 0.00 179.01 179.02 1qvx h LEU 998 N 1.08 0.00 -1.29 1.33 5.85 -1.07 0.36 115.31 121.57 1qvx h LEU 998 Ca 0.39 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1qvx h LEU 998 Cb 0.16 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1qvx h LEU 998 CO -0.15 0.51 0.23 0.40 -0.34 0.00 0.00 178.44 179.10 1qvx h ILE 999 N 0.00 1.18 -0.01 4.05 2.04 0.28 0.31 117.51 125.36 1qvx h ILE 999 Ca -0.01 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1qvx h ILE 999 Cb 0.91 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1qvx h ILE 999 CO 0.07 0.21 -0.23 0.59 0.00 0.00 0.00 178.15 178.79 1qvx n ASN 1000N -4.37 0.80 0.03 1.72 3.02 -0.30 -1.93 115.26 114.24 1qvx n ASN 1000Ca 0.04 -0.71 -0.15 0.00 -0.03 0.00 0.00 54.58 53.73 1qvx n ASN 1000Cb 0.13 0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.24 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1qvx h LYS 1001N 0.89 0.18 -0.09 3.52 6.56 0.15 0.54 116.57 128.31 1qvx h LYS 1001Ca 0.00 -0.30 -0.19 0.00 -1.06 0.00 0.00 60.65 59.10 1qvx h LYS 1001Cb 0.46 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1qvx h LYS 1001CO 0.00 0.98 -0.74 0.00 -2.06 0.00 0.00 179.45 177.63 1qvx h MET 1002N 0.05 0.48 0.62 3.15 -0.00 -1.07 0.50 114.93 118.67 1qvx h MET 1002Ca -0.26 -0.39 -0.03 0.00 -0.00 0.00 0.00 59.70 59.02 1qvx h MET 1002Cb 2.00 0.08 0.01 0.00 -0.00 0.00 0.00 31.60 33.69 1qvx h MET 1002CO 0.13 1.02 -0.30 -0.22 -0.00 0.00 0.00 176.91 177.55 1qvx h LYS 1003N 0.33 -0.81 -0.40 -0.10 3.64 -1.45 -1.28 116.57 116.51 1qvx h LYS 1003Ca -0.04 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1qvx h LYS 1003Cb 1.33 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1qvx h LYS 1003CO 0.13 -0.50 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.71 1qvx h LEU 1004N -0.95 0.63 -0.21 5.20 4.07 0.09 0.43 115.31 124.57 1qvx h LEU 1004Ca -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1qvx h LEU 1004Cb 0.68 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1qvx h LEU 1004CO 0.14 0.72 0.08 0.00 -1.08 0.00 0.00 178.44 178.30 1qvx h ALA 1005N 1.35 0.27 0.00 1.53 0.00 0.02 0.34 119.26 122.78 1qvx h ALA 1005Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qvx h ALA 1005Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qvx h ALA 1005CO 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1qvx n GLN 1006N -4.82 0.13 0.09 0.00 -0.00 -0.48 -1.20 117.38 111.09 1qvx n GLN 1006Ca -0.04 0.08 0.09 0.00 -0.00 0.00 0.00 57.00 57.14 1qvx n GLN 1006Cb 0.13 -1.50 -0.02 0.00 -0.00 0.00 0.00 30.24 28.84 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1qvx n GLN 1007N -1.42 0.61 -0.03 2.61 -0.06 0.15 -4.09 117.38 115.15 1qvx n GLN 1007Ca 0.08 0.13 0.02 0.00 -2.00 0.00 0.00 57.00 55.23 1qvx n GLN 1007Cb 0.24 -1.81 0.03 0.00 -4.06 0.00 0.00 30.24 24.64 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -2.71 0.07 -1.50 3.69 9.36 0.11 -5.00 117.16 121.18 1qvx n TYR 1008Ca -0.02 -0.19 -0.42 0.00 3.32 0.00 0.00 57.90 60.59 1qvx n TYR 1008Cb 0.61 -0.02 -0.09 0.00 -0.63 0.00 0.00 39.34 39.22 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 0.12 0.01 -3.48 2.97 3.14 -0.34 -4.56 118.33 116.20 1qvx n VAL 1009Ca 0.03 -0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 60.93 1qvx n VAL 1009Cb 0.19 -1.62 -0.11 0.00 -1.06 0.00 0.00 33.84 31.25 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1qvx s MET 1010N 8.00 0.26 1.54 1.45 0.00 -1.26 -5.02 119.30 124.27 1qvx s MET 1010Ca 1.15 0.51 0.00 0.00 0.00 0.00 0.00 55.69 57.35 1qvx s MET 1010Cb -0.77 -0.57 0.00 0.00 0.00 0.00 0.00 34.83 33.49 1qvx s MET 1010CO 0.41 -0.55 0.00 0.25 0.00 0.00 0.00 175.02 175.13 1qvx n THR 1011N 5.35 0.00 -0.20 10.11 -2.24 -1.26 -1.09 114.28 124.95 1qvx n THR 1011Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1qvx n THR 1011Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1qvx n SER 1012N 5.45 0.71 -0.01 3.42 2.88 -1.26 -4.62 113.62 120.20 1qvx n SER 1012Ca 0.00 -0.95 0.13 0.00 -1.33 0.00 0.00 58.87 56.73 1qvx n SER 1012Cb 0.00 0.07 0.50 0.00 -0.75 0.00 0.00 64.21 64.03 1qvx n SER 1012CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1qvx n LEU 1013N -0.07 0.21 0.32 2.46 7.94 -0.25 -3.45 117.00 124.16 1qvx n LEU 1013Ca 0.00 0.29 0.20 0.00 -1.11 0.00 0.00 56.01 55.38 1qvx n LEU 1013Cb 0.05 -0.38 1.07 0.00 0.53 0.00 0.00 43.42 44.69 1qvx n LEU 1013CO 0.00 0.05 1.14 -0.61 -1.11 0.00 0.00 177.39 176.86 1qvx h GLN 1014N 0.05 0.00 -0.68 1.96 -0.00 -1.73 -2.70 115.11 112.02 1qvx h GLN 1014Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.77 1qvx h GLN 1014Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.92 1qvx h GLN 1014CO 0.00 0.01 0.45 -0.56 0.00 0.00 0.00 178.83 178.73 1qvx h GLN 1015N 0.00 0.40 -0.53 1.69 3.07 -1.89 0.38 115.11 118.22 1qvx h GLN 1015Ca -0.00 -0.02 0.11 0.00 0.09 0.00 0.00 58.65 58.82 1qvx h GLN 1015Cb 0.06 -0.09 -0.09 0.00 0.08 0.00 0.00 27.48 27.43 1qvx h GLN 1015CO 0.00 0.26 -0.06 1.49 0.09 0.00 0.00 178.83 180.61 1qvx h GLU 1016N 0.41 0.06 0.00 0.06 4.81 -1.78 0.70 114.58 118.84 1qvx h GLU 1016Ca 0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1qvx h GLU 1016Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1qvx h GLU 1016CO -0.10 0.04 -0.00 0.66 -0.73 0.00 0.00 179.01 178.88 1qvx n TYR 1017N -5.31 0.90 -0.03 0.92 4.02 0.11 -2.27 117.16 115.50 1qvx n TYR 1017Ca 0.06 0.26 -0.07 0.00 -0.01 0.00 0.00 57.90 58.14 1qvx n TYR 1017Cb 0.29 -0.93 0.11 0.00 -0.02 0.00 0.00 39.34 38.80 1qvx n TYR 1017CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1qvx h LYS 1018N 0.00 0.61 0.30 -0.72 3.64 0.42 0.15 116.57 120.98 1qvx h LYS 1018Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1qvx h LYS 1018Cb 0.73 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1qvx h LYS 1018CO 0.00 0.86 -0.15 0.87 -2.27 0.00 0.00 179.45 178.77 1qvx h LYS 1019N 0.52 -0.39 -1.03 1.90 1.79 -0.56 -1.43 116.57 117.37 1qvx h LYS 1019Ca 0.06 0.03 0.26 0.00 -2.18 0.00 0.00 60.65 58.82 1qvx h LYS 1019Cb 0.82 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 31.44 1qvx h LYS 1019CO 0.07 -0.06 0.63 1.96 -1.08 0.00 0.00 179.45 180.97 1qvx h GLN 1020N -0.84 0.47 0.66 3.15 1.08 -1.47 0.26 115.11 118.42 1qvx h GLN 1020Ca -0.04 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1qvx h GLN 1020Cb 0.52 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1qvx h GLN 1020CO 0.07 0.31 -0.37 1.98 -0.95 0.00 0.00 178.83 179.86 1qvx h MET 1021N 0.48 -0.93 -0.49 1.46 4.05 -0.48 -1.51 114.93 117.51 1qvx h MET 1021Ca 0.63 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 60.12 1qvx h MET 1021Cb 1.40 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 32.38 1qvx h MET 1021CO -0.41 -0.62 0.29 1.25 0.23 0.00 0.00 176.91 177.66 1qvx h LEU 1022N -0.96 0.57 -0.95 3.39 5.85 -0.14 0.11 115.31 123.18 1qvx h LEU 1022Ca -0.08 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1qvx h LEU 1022Cb 0.77 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1qvx h LEU 1022CO 0.10 0.44 0.58 0.74 -0.34 0.00 0.00 178.44 179.97 1qvx h THR 1023N 0.67 1.26 0.02 1.05 2.02 -0.32 0.23 112.91 117.84 1qvx h THR 1023Ca 0.18 -0.54 -0.21 0.00 0.77 0.00 0.00 66.41 66.60 1qvx h THR 1023Cb -0.03 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1qvx h THR 1023CO -0.03 0.27 -0.99 0.00 0.37 0.00 0.00 175.52 175.13 1qvx h ALA 1024N 1.32 0.39 -0.61 6.16 0.00 -0.22 -1.85 119.26 124.46 1qvx h ALA 1024Ca 0.34 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1qvx h ALA 1024Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1qvx h ALA 1024CO -0.07 1.11 0.10 0.00 0.00 0.00 0.00 179.25 180.39 1qvx h ALA 1025N 0.96 0.81 -0.77 0.00 0.00 -0.27 0.39 119.26 120.38 1qvx h ALA 1025Ca -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1qvx h ALA 1025Cb 1.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1qvx h ALA 1025CO 0.14 0.56 0.26 1.25 0.00 0.00 0.00 179.25 181.45 1qvx h HIS 1026N 0.91 1.22 -0.26 0.00 6.17 -0.54 0.20 115.15 122.84 1qvx h HIS 1026Ca 0.18 -0.12 -0.04 0.00 0.71 0.00 0.00 60.37 61.11 1qvx h HIS 1026Cb 0.42 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.99 1qvx h HIS 1026CO 0.03 0.95 0.01 0.00 0.71 0.00 0.00 177.93 179.63 1qvx h ALA 1027N 1.14 0.35 0.00 5.26 0.00 -0.76 -1.32 119.26 123.92 1qvx h ALA 1027Ca 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 1027Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 1027CO -0.01 0.06 -0.49 1.25 0.00 0.00 0.00 179.25 180.07 1qvx h LEU 1028N 0.24 0.00 -0.87 0.00 6.46 -0.16 -1.83 115.31 119.14 1qvx h LEU 1028Ca 0.08 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1qvx h LEU 1028Cb 0.39 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 1qvx h LEU 1028CO 0.01 0.49 0.56 0.00 -0.62 0.00 0.00 178.44 178.88 1qvx h ALA 1029N 1.51 1.16 -0.08 1.25 0.00 -0.30 -0.60 119.26 122.20 1qvx h ALA 1029Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qvx h ALA 1029Cb 0.93 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qvx h ALA 1029CO 0.06 0.41 0.05 0.28 0.00 0.00 0.00 179.25 180.05 1qvx h VAL 1030N 1.09 1.02 0.03 0.00 2.07 -0.40 -0.13 116.25 119.94 1qvx h VAL 1030Ca 0.35 -0.03 -0.25 0.00 0.82 0.00 0.00 66.70 67.58 1qvx h VAL 1030Cb 0.01 0.91 0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1qvx h VAL 1030CO -0.12 0.02 -1.01 -2.24 0.02 0.00 0.00 177.57 174.24 1qvx h ASP 1031N 0.10 0.83 0.17 0.57 3.04 -0.83 -2.80 116.42 117.50 1qvx h ASP 1031Ca 0.03 -0.77 0.00 0.00 -3.24 0.00 0.00 57.03 53.05 1qvx h ASP 1031Cb -0.00 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.02 1qvx h ASP 1031CO -0.01 1.50 -0.15 0.00 -2.04 0.00 0.00 179.24 178.54 1qvx h ALA 1032N 0.35 -0.31 -0.14 4.15 0.00 -0.84 -2.48 119.26 119.99 1qvx h ALA 1032Ca -0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 1032Cb 1.68 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1qvx h ALA 1032CO 0.20 -0.69 -0.22 1.57 0.00 0.00 0.00 179.25 180.10 1qvx h LYS 1033N -0.33 0.24 -0.08 0.00 2.10 -1.09 0.35 116.57 117.76 1qvx h LYS 1033Ca -0.00 -0.07 -0.19 0.00 -2.00 0.00 0.00 60.65 58.38 1qvx h LYS 1033Cb 0.31 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1qvx h LYS 1033CO -0.02 0.46 -0.75 -0.97 -2.00 0.00 0.00 179.45 176.17 1qvx h ASN 1034N 0.22 0.54 0.62 7.07 -1.24 -1.43 -3.07 115.58 118.29 1qvx h ASN 1034Ca 0.04 -0.36 -0.20 0.00 0.71 0.00 0.00 56.30 56.49 1qvx h ASN 1034Cb 0.52 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1qvx h ASN 1034CO 0.04 1.11 -0.89 0.25 -1.29 0.00 0.00 177.43 176.65 1qvx h LEU 1035N 0.31 0.23 -1.78 0.34 5.85 -0.92 0.02 115.31 119.36 1qvx h LEU 1035Ca -0.04 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1qvx h LEU 1035Cb 1.33 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1qvx h LEU 1035CO 0.13 1.00 -0.12 0.17 -0.34 0.00 0.00 178.44 179.29 1qvx h LEU 1036N 0.09 0.00 0.23 2.25 8.10 -0.94 0.62 115.31 125.67 1qvx h LEU 1036Ca -0.04 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.61 1qvx h LEU 1036Cb 1.52 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.77 1qvx h LEU 1036CO 0.13 0.12 -1.53 -0.78 -4.11 0.00 0.00 178.44 172.27 1qvx h ASP 1037N 0.00 0.77 0.17 0.17 3.58 -1.41 -2.84 116.42 116.85 1qvx h ASP 1037Ca -0.00 -0.88 -0.00 0.00 0.42 0.00 0.00 57.03 56.56 1qvx h ASP 1037Cb 0.42 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1qvx h ASP 1037CO 0.02 1.70 -0.24 0.58 -2.88 0.00 0.00 179.24 178.42 1qvx h VAL 1038N 0.13 0.00 0.00 2.25 2.07 0.12 -0.82 116.25 120.01 1qvx h VAL 1038Ca -0.27 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1qvx h VAL 1038Cb 2.15 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1qvx h VAL 1038CO 0.25 0.00 -0.52 0.16 0.02 0.00 0.00 177.57 177.48 1qvx h ILE 1039N -0.43 1.08 -0.71 4.57 -0.00 -0.08 0.71 117.51 122.65 1qvx h ILE 1039Ca -0.02 -2.02 0.15 0.00 -0.00 0.00 0.00 64.86 62.97 1qvx h ILE 1039Cb 0.39 2.19 -0.10 0.00 -0.00 0.00 0.00 36.82 39.30 1qvx h ILE 1039CO -0.07 0.51 0.20 -0.78 -0.00 0.00 0.00 178.15 178.02 1qvx h ASP 1040N 0.00 0.09 0.95 2.16 1.82 -1.50 0.13 116.42 120.06 1qvx h ASP 1040Ca -0.01 0.13 -0.15 0.00 -0.39 0.00 0.00 57.03 56.61 1qvx h ASP 1040Cb 1.15 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1qvx h ASP 1040CO 0.07 0.01 -0.73 1.56 -1.61 0.00 0.00 179.24 178.54 1qvx h GLN 1041N 0.31 0.00 0.03 0.28 4.20 0.04 -3.05 115.11 116.92 1qvx h GLN 1041Ca 0.40 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.13 1qvx h GLN 1041Cb 0.64 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1qvx h GLN 1041CO -0.46 0.73 -0.35 0.00 -0.67 0.00 0.00 178.83 178.08 1qvx h ALA 1042N 1.27 -0.55 -0.27 3.87 0.00 0.23 1.83 119.26 125.65 1qvx h ALA 1042Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1qvx h ALA 1042Cb 1.40 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1qvx h ALA 1042CO 0.09 -0.88 0.18 0.00 0.00 0.00 0.00 179.25 178.65 1qvx h ARG 1043N -0.53 0.17 0.00 0.00 -0.00 -1.34 0.16 114.38 112.84 1qvx h ARG 1043Ca 0.05 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1qvx h ARG 1043Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.53 1qvx h ARG 1043CO -0.26 0.11 -0.07 1.25 0.00 0.00 0.00 179.97 181.00 1qvx h LEU 1044N 0.17 0.00 -1.07 3.04 5.85 -0.84 -2.89 115.31 119.58 1qvx h LEU 1044Ca 0.12 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1qvx h LEU 1044Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1qvx h LEU 1044CO -0.02 0.07 -0.31 0.11 -0.34 0.00 0.00 178.44 177.96 1qvx h LYS 1045N 0.00 0.28 -0.32 1.25 1.79 0.57 0.50 116.57 120.63 1qvx h LYS 1045Ca -0.00 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 58.23 1qvx h LYS 1045Cb 0.88 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1qvx h LYS 1045CO 0.01 0.56 -0.35 1.98 -1.08 0.00 0.00 179.45 180.57 1qvx h MET 1046N 0.24 0.72 -0.52 3.15 4.05 -1.24 -1.05 114.93 120.29 1qvx h MET 1046Ca 0.03 -0.35 -0.08 0.00 -0.28 0.00 0.00 59.70 59.02 1qvx h MET 1046Cb 0.67 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 1qvx h MET 1046CO 0.05 0.96 0.00 0.82 0.23 0.00 0.00 176.91 178.97 1qvx h ILE 1047N 0.60 1.25 -0.77 1.77 1.08 -1.23 0.16 117.51 120.38 1qvx h ILE 1047Ca 0.06 -1.05 0.04 0.00 -0.39 0.00 0.00 64.86 63.52 1qvx h ILE 1047Cb 0.88 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 1qvx h ILE 1047CO 0.08 0.37 0.48 0.28 -0.69 0.00 0.00 178.15 178.67 1qvx h SER 1048N 0.81 0.77 -0.02 1.72 0.02 0.52 0.50 113.55 117.87 1qvx h SER 1048Ca 0.15 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1qvx h SER 1048Cb 0.48 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1qvx h SER 1048CO 0.02 0.52 -0.56 -0.61 -1.14 0.00 0.00 176.83 175.06 1qvx h GLN 1049N 0.91 0.41 -0.99 3.45 4.15 -0.93 -3.31 115.11 118.79 1qvx h GLN 1049Ca 0.32 -0.42 -0.53 0.00 0.77 0.00 0.00 58.65 58.79 1qvx h GLN 1049Cb 0.07 0.11 -0.31 0.00 0.21 0.00 0.00 27.48 27.57 1qvx h GLN 1049CO -0.13 1.08 0.68 0.43 -1.93 0.00 0.00 178.83 178.95 1qvx n SER 1050N -4.24 4.19 -4.66 -0.69 7.64 0.54 -5.00 113.62 111.39 1qvx n SER 1050Ca -0.10 -3.63 -0.43 0.00 1.01 0.00 0.00 58.87 55.71 1qvx n SER 1050Cb 0.65 -0.85 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 1qvx n SER 1050CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1qvx n ARG 1051N -1.12 1.85 -1.67 1.43 1.85 0.17 -4.81 116.66 114.36 1qvx n ARG 1051Ca 0.60 0.65 -0.45 0.00 -1.00 0.00 0.00 57.85 57.65 1qvx n ARG 1051Cb 1.56 -2.16 -0.04 0.00 -1.05 0.00 0.00 32.46 30.77 1qvx n ARG 1051CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1qvx n PRO 1052N 0.70 2.57 0.00 2.89 -0.04 -1.26 -5.08 135.00 134.77 1qvx n PRO 1052Ca 0.07 0.94 0.04 0.00 -0.04 0.00 0.00 63.50 64.51 1qvx n PRO 1052Cb 0.34 -2.87 0.03 0.00 -0.04 0.00 0.00 33.50 30.97 1qvx n PRO 1052CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18