#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 4.20 -3.98 6.15 7.64 -1.26 -4.97 113.62 121.40 1qvx n SER 921 Ca 0.00 -3.50 -0.35 0.00 1.01 0.00 0.00 58.87 56.03 1qvx n SER 921 Cb 0.00 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.51 -2.72 -3.27 6.43 4.13 -1.26 -4.93 115.26 113.13 1qvx n ASN 922 Ca 0.35 -1.15 -0.06 0.00 1.68 0.00 0.00 54.58 55.40 1qvx n ASN 922 Cb 0.79 -2.47 0.06 0.00 -1.54 0.00 0.00 39.78 36.62 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 -2.62 -1.84 0.19 6.41 2.03 -1.26 -3.53 116.55 115.93 1qvx n ASP 923 Ca -0.19 -0.18 0.05 0.00 0.52 0.00 0.00 54.79 54.99 1qvx n ASP 923 Cb 0.62 -0.35 0.07 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.62 0.02 0.10 -0.67 0.00 -1.26 0.51 118.16 116.24 1qvx n LYS 924 Ca 0.03 0.82 -0.13 0.00 0.00 0.00 0.00 58.31 59.03 1qvx n LYS 924 Cb 0.12 -2.18 -0.07 0.00 0.00 0.00 0.00 35.03 32.90 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 0.84 -0.00 3.15 -1.51 -1.88 -1.23 116.25 115.61 1qvx h VAL 925 Ca 0.08 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.37 1qvx h VAL 925 Cb 1.86 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.85 1qvx h VAL 925 CO -0.00 0.00 -0.83 0.22 -1.23 0.00 0.00 177.57 175.73 1qvx h TYR 926 N -0.19 0.20 0.63 5.19 5.03 0.01 -2.96 116.97 124.87 1qvx h TYR 926 Ca -0.01 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.16 1qvx h TYR 926 Cb 0.16 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.42 1qvx h TYR 926 CO -0.08 0.90 -0.30 1.49 -1.32 0.00 0.00 178.16 178.85 1qvx h GLU 927 N 0.08 -0.81 -0.01 1.82 4.81 -1.47 -1.99 114.58 117.01 1qvx h GLU 927 Ca -0.03 0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1qvx h GLU 927 Cb 1.44 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 1qvx h GLU 927 CO 0.12 -0.50 -0.53 -0.97 -0.73 0.00 0.00 179.01 176.41 1qvx h ASN 928 N -1.08 0.04 -0.54 1.04 -1.24 -1.29 0.23 115.58 112.75 1qvx h ASN 928 Ca -0.09 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.82 1qvx h ASN 928 Cb 0.69 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 1qvx h ASN 928 CO 0.14 0.56 0.00 0.58 -1.29 0.00 0.00 177.43 177.43 1qvx h VAL 929 N 0.03 1.26 -0.58 2.57 2.07 -1.55 0.34 116.25 120.39 1qvx h VAL 929 Ca -0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1qvx h VAL 929 Cb 0.94 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1qvx h VAL 929 CO 0.07 0.39 0.38 0.74 0.02 0.00 0.00 177.57 179.17 1qvx h THR 930 N 0.82 1.16 -0.43 2.57 2.02 -0.75 -1.06 112.91 117.23 1qvx h THR 930 Ca 0.15 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1qvx h THR 930 Cb 0.53 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1qvx h THR 930 CO 0.03 0.15 0.28 1.23 0.37 0.00 0.00 175.52 177.59 1qvx h GLY 931 N 0.81 0.57 0.91 2.16 0.00 0.11 0.13 103.07 107.77 1qvx h GLY 931 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1qvx h GLY 931 CO -0.04 0.19 0.11 -2.00 0.00 0.00 0.00 176.54 174.80 1qvx h LEU 932 N 0.53 0.45 -0.79 3.11 6.46 0.90 0.20 115.31 126.18 1qvx h LEU 932 Ca 0.16 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1qvx h LEU 932 Cb 0.01 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 1qvx h LEU 932 CO -0.04 0.52 0.48 0.58 -0.62 0.00 0.00 178.44 179.36 1qvx h VAL 933 N 0.36 1.02 -0.71 1.05 2.07 -0.76 0.62 116.25 119.90 1qvx h VAL 933 Ca 0.10 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1qvx h VAL 933 Cb 0.22 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1qvx h VAL 933 CO -0.01 0.16 0.25 0.11 0.02 0.00 0.00 177.57 178.10 1qvx h LYS 934 N 0.87 1.08 0.00 1.57 1.79 -0.34 -0.85 116.57 120.69 1qvx h LYS 934 Ca 0.35 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 58.46 1qvx h LYS 934 Cb 0.17 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1qvx h LYS 934 CO -0.17 0.92 -0.63 0.00 -1.08 0.00 0.00 179.45 178.49 1qvx h ALA 935 N 1.12 0.62 0.00 3.86 0.00 0.38 -2.32 119.26 122.91 1qvx h ALA 935 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1qvx h ALA 935 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 935 CO -0.01 0.78 0.00 1.55 0.00 0.00 0.00 179.25 181.57 1qvx n VAL 936 N -3.30 0.59 0.12 0.00 3.14 0.21 -1.85 118.33 117.25 1qvx n VAL 936 Ca 0.01 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.16 1qvx n VAL 936 Cb 0.77 -0.64 0.23 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 1.34 -0.84 1.55 1.08 -0.60 -2.77 117.51 117.27 1qvx h ILE 937 Ca 0.00 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1qvx h ILE 937 Cb 0.69 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 1qvx h ILE 937 CO 0.00 0.49 0.48 -0.33 -0.69 0.00 0.00 178.15 178.09 1qvx h GLU 938 N 0.11 1.16 -0.60 2.37 5.08 -1.08 0.40 114.58 122.01 1qvx h GLU 938 Ca 0.00 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1qvx h GLU 938 Cb 0.89 -0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1qvx h GLU 938 CO 0.07 0.84 0.10 1.98 -1.00 0.00 0.00 179.01 181.00 1qvx h MET 939 N 1.17 0.22 -0.23 2.33 4.05 -1.34 0.20 114.93 121.32 1qvx h MET 939 Ca 0.30 -0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 59.51 1qvx h MET 939 Cb 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1qvx h MET 939 CO -0.05 0.15 -0.61 1.03 0.23 0.00 0.00 176.91 177.65 1qvx h SER 940 N 0.23 0.90 0.04 1.39 0.87 -1.14 -2.82 113.55 113.01 1qvx h SER 940 Ca 0.32 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1qvx h SER 940 Cb 0.48 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1qvx h SER 940 CO -0.42 1.30 -0.02 0.28 -0.53 0.00 0.00 176.83 177.44 1qvx h SER 941 N 0.59 -0.04 0.98 6.23 0.02 0.63 -3.13 113.55 118.82 1qvx h SER 941 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1qvx h SER 941 Cb 1.22 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1qvx h SER 941 CO 0.13 0.53 -0.17 2.29 -1.14 0.00 0.00 176.83 178.47 1qvx n LYS 942 N -4.84 0.08 0.00 3.45 -0.00 0.61 -3.73 118.16 113.74 1qvx n LYS 942 Ca -0.09 0.05 -0.17 0.00 -0.00 0.00 0.00 58.31 58.11 1qvx n LYS 942 Cb 0.29 -1.58 -0.12 0.00 -0.00 0.00 0.00 35.03 33.61 1qvx n LYS 942 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1qvx h ILE 943 N 0.00 1.51 -0.35 0.58 -0.00 -1.46 -3.29 117.51 114.49 1qvx h ILE 943 Ca 0.00 -2.17 0.02 0.00 -0.00 0.00 0.00 64.86 62.70 1qvx h ILE 943 Cb 0.57 2.86 -0.02 0.00 -0.00 0.00 0.00 36.82 40.23 1qvx h ILE 943 CO 0.00 0.61 0.20 0.06 -0.00 0.00 0.00 178.15 179.02 1qvx h GLN 944 N -0.36 0.40 -0.62 2.19 3.07 -1.63 -1.88 115.11 116.28 1qvx h GLN 944 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1qvx h GLN 944 Cb 1.28 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1qvx h GLN 944 CO 0.10 0.27 0.00 -0.35 0.09 0.00 0.00 178.83 178.93 1qvx n PRO 945 N -4.89 2.23 -4.31 0.06 -0.04 -1.26 -4.91 135.00 121.87 1qvx n PRO 945 Ca 0.00 -1.19 -0.22 0.00 -0.04 0.00 0.00 63.50 62.06 1qvx n PRO 945 Cb 0.06 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvx s ALA 946 N -1.67 1.89 0.92 0.55 0.00 -0.71 -5.12 121.76 117.63 1qvx s ALA 946 Ca 0.21 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 1qvx s ALA 946 Cb 0.14 -0.18 0.17 0.00 0.00 0.00 0.00 23.12 23.25 1qvx s ALA 946 CO 0.09 0.24 1.26 -1.25 0.00 0.00 0.00 175.76 176.10 1qvx s PRO 947 N -2.63 0.98 0.41 0.00 0.04 -1.26 -4.84 135.00 127.70 1qvx s PRO 947 Ca 0.13 -0.21 0.19 0.00 0.04 0.00 0.00 61.00 61.15 1qvx s PRO 947 Cb -0.06 -1.87 1.12 0.00 0.04 0.00 0.00 34.50 33.73 1qvx s PRO 947 CO 0.06 -2.22 1.81 -1.35 0.04 0.00 0.00 177.00 175.34 1qvx h PRO 948 N -1.50 0.37 -0.25 0.56 0.11 -1.99 0.32 132.00 129.60 1qvx h PRO 948 Ca -0.45 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1qvx h PRO 948 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1qvx h PRO 948 CO 0.47 0.24 0.30 0.93 -0.21 0.00 0.00 178.00 179.73 1qvx h GLU 949 N 0.38 0.00 -0.01 1.05 5.08 -1.97 0.22 114.58 119.32 1qvx h GLU 949 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1qvx h GLU 949 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1qvx h GLU 949 CO -0.23 0.00 -0.21 0.39 -1.00 0.00 0.00 179.01 177.97 1qvx n GLU 950 N -3.71 1.57 -0.07 2.33 -0.58 0.11 -4.15 120.64 116.15 1qvx n GLU 950 Ca 0.03 -0.98 -0.10 0.00 -0.42 0.00 0.00 57.16 55.70 1qvx n GLU 950 Cb 0.43 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 30.02 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1qvx h TYR 951 N 2.10 0.34 -0.16 -0.32 -1.99 -0.13 0.19 116.97 116.99 1qvx h TYR 951 Ca 0.00 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1qvx h TYR 951 Cb 0.55 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1qvx h TYR 951 CO 0.00 0.28 -0.35 -0.24 -0.00 0.00 0.00 178.16 177.85 1qvx h VAL 952 N 0.30 1.35 -0.48 -2.88 3.04 -1.75 -2.97 116.25 112.86 1qvx h VAL 952 Ca 0.09 -1.60 0.14 0.00 -1.01 0.00 0.00 66.70 64.32 1qvx h VAL 952 Cb 0.05 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1qvx h VAL 952 CO -0.02 0.49 0.36 -0.65 -1.01 0.00 0.00 177.57 176.74 1qvx h PRO 953 N 0.17 0.00 -0.01 4.17 0.11 -1.70 -1.13 132.00 133.60 1qvx h PRO 953 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 1qvx h PRO 953 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1qvx h PRO 953 CO 0.08 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.21 1qvx h MET 954 N 0.00 0.06 0.00 1.05 -0.00 -0.52 -2.05 114.93 113.47 1qvx h MET 954 Ca 0.23 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.70 59.81 1qvx h MET 954 Cb 0.94 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.54 1qvx h MET 954 CO -0.00 0.69 -0.35 -0.24 -0.00 0.00 0.00 176.91 177.00 1qvx h VAL 955 N 0.04 0.87 -0.89 -0.10 3.04 -1.10 -2.48 116.25 115.64 1qvx h VAL 955 Ca -0.01 -1.42 0.05 0.00 -1.01 0.00 0.00 66.70 64.31 1qvx h VAL 955 Cb 1.16 1.87 -0.05 0.00 -2.01 0.00 0.00 31.29 32.25 1qvx h VAL 955 CO 0.09 0.35 0.58 0.11 -1.01 0.00 0.00 177.57 177.69 1qvx h LYS 956 N 0.00 1.03 -0.54 4.17 1.57 -0.55 0.76 116.57 123.01 1qvx h LYS 956 Ca -0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1qvx h LYS 956 Cb 0.84 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1qvx h LYS 956 CO 0.05 0.68 0.22 0.93 -0.57 0.00 0.00 179.45 180.76 1qvx h GLU 957 N 1.06 0.42 -0.18 3.15 4.39 -1.26 0.25 114.58 122.41 1qvx h GLU 957 Ca 0.37 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 1qvx h GLU 957 Cb 0.11 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1qvx h GLU 957 CO -0.12 0.28 -0.17 0.28 -1.16 0.00 0.00 179.01 178.11 1qvx h VAL 958 N 0.43 1.21 -0.59 3.13 2.07 -1.27 -0.50 116.25 120.74 1qvx h VAL 958 Ca 0.25 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1qvx h VAL 958 Cb 0.25 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1qvx h VAL 958 CO -0.23 0.30 0.13 1.23 0.02 0.00 0.00 177.57 179.02 1qvx h GLY 959 N 0.88 1.02 1.69 2.17 0.00 0.89 -2.06 103.07 107.66 1qvx h GLY 959 Ca 0.05 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1qvx h GLY 959 CO 0.03 0.61 -0.39 -2.00 0.00 0.00 0.00 176.54 174.79 1qvx h LEU 960 N 0.86 0.36 0.17 3.11 5.85 -0.31 -1.92 115.31 123.42 1qvx h LEU 960 Ca 0.18 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1qvx h LEU 960 Cb 0.37 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1qvx h LEU 960 CO 0.01 0.72 -0.39 0.00 -0.34 0.00 0.00 178.44 178.43 1qvx h ALA 961 N 1.30 -0.72 0.00 1.25 0.00 -0.57 0.60 119.26 121.11 1qvx h ALA 961 Ca 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 961 Cb 0.82 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1qvx h ALA 961 CO 0.07 -0.97 -0.08 1.37 0.00 0.00 0.00 179.25 179.64 1qvx h LEU 962 N -0.66 0.00 0.18 0.00 -0.00 -1.37 -2.34 115.31 111.11 1qvx h LEU 962 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1qvx h LEU 962 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1qvx h LEU 962 CO -0.20 0.08 -0.08 -0.09 -0.00 0.00 0.00 178.44 178.15 1qvx h ARG 963 N 0.00 -0.23 -0.14 0.17 1.12 -0.85 0.16 114.38 114.62 1qvx h ARG 963 Ca -0.00 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1qvx h ARG 963 Cb 0.80 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 1qvx h ARG 963 CO 0.01 0.19 0.12 1.15 -3.11 0.00 0.00 179.97 178.33 1qvx h THR 964 N -0.79 0.71 -0.24 0.20 2.02 -0.94 -0.68 112.91 113.20 1qvx h THR 964 Ca -0.02 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.00 1qvx h THR 964 Cb 0.52 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1qvx h THR 964 CO 0.04 0.00 -0.50 0.25 0.37 0.00 0.00 175.52 175.68 1qvx h LEU 965 N 0.00 0.73 -1.66 2.58 5.85 -1.10 -2.30 115.31 119.40 1qvx h LEU 965 Ca 0.07 -0.37 0.24 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 965 Cb 0.31 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1qvx h LEU 965 CO -0.00 1.10 0.64 0.25 -0.34 0.00 0.00 178.44 180.09 1qvx h LEU 966 N 0.52 0.26 -0.10 2.25 6.46 0.92 0.54 115.31 126.16 1qvx h LEU 966 Ca 0.02 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1qvx h LEU 966 Cb 1.06 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1qvx h LEU 966 CO 0.10 0.09 0.05 0.00 -0.62 0.00 0.00 178.44 178.06 1qvx h ALA 967 N 1.59 0.13 -0.44 1.25 0.00 -1.33 -1.01 119.26 119.45 1qvx h ALA 967 Ca 0.48 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1qvx h ALA 967 Cb 1.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1qvx h ALA 967 CO -0.14 -0.31 0.24 1.15 0.00 0.00 0.00 179.25 180.20 1qvx h THR 968 N 0.03 1.01 -0.76 0.00 2.02 -0.78 -1.50 112.91 112.92 1qvx h THR 968 Ca 0.03 -0.17 0.22 0.00 0.77 0.00 0.00 66.41 67.26 1qvx h THR 968 Cb 0.13 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1qvx h THR 968 CO -0.00 0.09 0.55 0.58 0.37 0.00 0.00 175.52 177.10 1qvx h VAL 969 N 0.49 0.63 0.00 3.16 2.07 0.20 0.11 116.25 122.90 1qvx h VAL 969 Ca 0.18 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 1qvx h VAL 969 Cb 0.05 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1qvx h VAL 969 CO -0.11 0.00 -0.50 -0.78 0.02 0.00 0.00 177.57 176.21 1qvx h ASP 970 N 0.02 0.00 0.52 0.57 3.58 -0.10 0.65 116.42 121.66 1qvx h ASP 970 Ca 0.36 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 1qvx h ASP 970 Cb 1.43 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.48 1qvx h ASP 970 CO -0.01 0.50 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.27 1qvx h GLU 971 N 0.00 -0.67 -0.04 0.28 4.39 -0.67 -2.86 114.58 115.01 1qvx h GLU 971 Ca -0.00 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1qvx h GLU 971 Cb 0.93 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1qvx h GLU 971 CO 0.06 -0.36 0.08 0.66 -1.16 0.00 0.00 179.01 178.30 1qvx h SER 972 N -0.97 0.00 0.21 1.42 4.64 -1.32 -3.15 113.55 114.37 1qvx h SER 972 Ca -0.07 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1qvx h SER 972 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1qvx h SER 972 CO 0.12 0.00 -0.24 0.25 -0.87 0.00 0.00 176.83 176.09 1qvx h LEU 973 N 0.00 -0.64 -2.43 5.97 5.85 0.57 0.39 115.31 125.01 1qvx h LEU 973 Ca 0.02 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 973 Cb 0.19 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 973 CO -0.00 -0.34 0.12 -0.65 -0.34 0.00 0.00 178.44 177.23 1qvx h PRO 974 N -0.49 0.00 0.00 5.25 0.11 -1.63 0.19 132.00 135.42 1qvx h PRO 974 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qvx h PRO 974 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1qvx h PRO 974 CO -0.08 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 177.99 1qvx h VAL 975 N 0.00 0.00 -0.08 3.15 2.07 -0.53 -3.07 116.25 117.79 1qvx h VAL 975 Ca 0.04 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1qvx h VAL 975 Cb 0.28 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1qvx h VAL 975 CO -0.00 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.78 1qvx h LEU 976 N 0.00 0.20 -2.29 2.57 6.46 0.28 0.58 115.31 123.10 1qvx h LEU 976 Ca 0.00 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1qvx h LEU 976 Cb 0.60 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1qvx h LEU 976 CO 0.00 0.60 -0.02 -0.65 -0.62 0.00 0.00 178.44 177.75 1qvx h PRO 977 N -0.21 0.00 0.17 5.25 0.11 -1.62 -3.19 132.00 132.51 1qvx h PRO 977 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1qvx h PRO 977 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1qvx h PRO 977 CO 0.02 0.02 -0.08 0.00 -0.21 0.00 0.00 178.00 177.74 1qvx h ALA 978 N 1.98 -0.54 0.00 -0.75 0.00 -1.35 -3.48 119.26 115.13 1qvx h ALA 978 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qvx h ALA 978 Cb 0.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qvx h ALA 978 CO 0.00 -0.52 0.00 0.43 0.00 0.00 0.00 179.25 179.16 1qvx n SER 979 N -3.09 0.00 0.09 0.00 7.64 0.17 -4.75 113.62 113.67 1qvx n SER 979 Ca -0.03 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.93 1qvx n SER 979 Cb 0.09 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.26 1.16 -0.30 0.44 5.66 0.72 -3.90 114.28 117.80 1qvx n THR 980 Ca 0.00 0.43 0.13 0.00 -3.05 0.00 0.00 64.05 61.56 1qvx n THR 980 Cb 0.00 -1.36 0.28 0.00 -1.55 0.00 0.00 70.33 67.70 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 0.36 0.03 1.09 2.76 -1.72 0.35 115.15 118.02 1qvx h HIS 981 Ca 0.00 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1qvx h HIS 981 Cb 0.16 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 1qvx h HIS 981 CO 0.00 -0.20 -0.22 0.00 -1.30 0.00 0.00 177.93 176.21 1qvx h ARG 982 N 0.22 -0.35 -0.03 5.26 3.08 -1.90 -1.05 114.38 119.61 1qvx h ARG 982 Ca 0.54 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.45 1qvx h ARG 982 Cb 1.09 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.23 1qvx h ARG 982 CO -0.64 -0.24 -0.64 0.93 -1.07 0.00 0.00 179.97 178.31 1qvx h GLU 983 N -0.37 0.48 0.00 0.04 3.07 -1.15 -2.59 114.58 114.06 1qvx h GLU 983 Ca 0.05 -0.48 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 1qvx h GLU 983 Cb 0.43 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1qvx h GLU 983 CO -0.18 1.12 -0.09 0.97 -1.40 0.00 0.00 179.01 179.44 1qvx h ILE 984 N 0.03 0.73 -0.10 3.13 6.09 -0.40 0.22 117.51 127.20 1qvx h ILE 984 Ca -0.07 -0.34 -0.22 0.00 -1.37 0.00 0.00 64.86 62.85 1qvx h ILE 984 Cb 1.32 1.21 0.01 0.00 0.47 0.00 0.00 36.82 39.83 1qvx h ILE 984 CO 0.13 0.09 -0.83 -0.33 -3.07 0.00 0.00 178.15 174.14 1qvx h GLU 985 N 0.00 0.65 0.53 2.19 4.39 -1.20 -2.84 114.58 118.30 1qvx h GLU 985 Ca -0.00 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 1qvx h GLU 985 Cb 0.20 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1qvx h GLU 985 CO 0.01 1.18 -0.26 0.00 -1.16 0.00 0.00 179.01 178.79 1qvx h MET 986 N 0.43 -0.69 0.14 2.33 -0.00 -0.18 -3.05 114.93 113.90 1qvx h MET 986 Ca -0.06 0.05 -0.28 0.00 -0.00 0.00 0.00 59.70 59.40 1qvx h MET 986 Cb 1.45 0.16 0.01 0.00 -0.00 0.00 0.00 31.60 33.22 1qvx h MET 986 CO 0.16 -0.46 -1.26 0.00 -0.00 0.00 0.00 176.91 175.35 1qvx h ALA 987 N -1.44 0.06 -0.28 -3.00 0.00 -1.55 -2.60 119.26 110.46 1qvx h ALA 987 Ca -0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 1qvx h ALA 987 Cb 0.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1qvx h ALA 987 CO 0.12 0.86 -0.24 0.37 0.00 0.00 0.00 179.25 180.36 1qvx h GLN 988 N 0.13 0.66 0.00 0.00 -0.00 -1.65 0.68 115.11 114.93 1qvx h GLN 988 Ca -0.16 -0.33 -0.05 0.00 -0.00 0.00 0.00 58.65 58.11 1qvx h GLN 988 Cb 1.96 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.44 1qvx h GLN 988 CO 0.22 0.94 -0.24 0.87 0.00 0.00 0.00 178.83 180.61 1qvx h LYS 989 N 0.39 0.00 -0.25 1.69 1.79 -1.66 -2.64 116.57 115.90 1qvx h LYS 989 Ca 0.05 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.32 1qvx h LYS 989 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1qvx h LYS 989 CO 0.06 0.24 -0.63 1.25 -1.08 0.00 0.00 179.45 179.30 1qvx h LEU 990 N 0.00 0.97 0.88 2.94 5.85 -0.88 -2.67 115.31 122.41 1qvx h LEU 990 Ca -0.00 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1qvx h LEU 990 Cb 0.51 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1qvx h LEU 990 CO 0.03 1.36 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.99 1qvx h LEU 991 N 0.63 -1.04 -1.22 2.25 3.38 0.66 0.17 115.31 120.14 1qvx h LEU 991 Ca -0.01 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.29 1qvx h LEU 991 Cb 1.24 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 42.15 1qvx h LEU 991 CO 0.14 -0.73 0.66 -1.13 0.09 0.00 0.00 178.44 177.47 1qvx h ASN 992 N -1.20 0.48 0.49 -0.43 -1.24 -1.58 0.54 115.58 112.64 1qvx h ASN 992 Ca -0.12 0.12 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1qvx h ASN 992 Cb 0.92 0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1qvx h ASN 992 CO 0.19 0.01 -0.23 0.28 -1.29 0.00 0.00 177.43 176.39 1qvx h SER 993 N 0.38 -0.55 0.51 1.15 0.02 -1.07 -3.08 113.55 110.91 1qvx h SER 993 Ca 0.66 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1qvx h SER 993 Cb 1.62 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1qvx h SER 993 CO -0.41 -0.16 -1.09 0.47 -1.14 0.00 0.00 176.83 174.49 1qvx n ASP 994 N -5.24 0.60 0.06 3.07 8.00 0.00 -2.12 116.55 120.92 1qvx n ASP 994 Ca -0.10 -0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1qvx n ASP 994 Cb 0.30 0.82 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N 0.00 -0.07 -1.93 0.64 7.12 -0.11 -1.70 115.31 119.27 1qvx h LEU 995 Ca 0.00 -0.06 0.20 0.00 0.13 0.00 0.00 57.88 58.16 1qvx h LEU 995 Cb 0.80 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 1qvx h LEU 995 CO 0.00 0.01 0.52 0.00 -0.13 0.00 0.00 178.44 178.84 1qvx h ALA 996 N 0.80 2.60 -0.35 1.25 0.00 -1.51 0.38 119.26 122.43 1qvx h ALA 996 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 996 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qvx h ALA 996 CO 0.01 -0.81 0.10 1.49 0.00 0.00 0.00 179.25 180.04 1qvx h GLU 997 N 0.06 0.55 0.00 0.00 4.57 -0.83 -2.40 114.58 116.55 1qvx h GLU 997 Ca 0.35 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1qvx h GLU 997 Cb 1.31 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1qvx h GLU 997 CO -0.03 0.59 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.32 1qvx h LEU 998 N 0.41 -0.01 -2.49 1.64 -0.00 -0.12 0.38 115.31 115.12 1qvx h LEU 998 Ca 0.11 -0.84 0.01 0.00 -0.00 0.00 0.00 57.88 57.16 1qvx h LEU 998 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1qvx h LEU 998 CO -0.00 0.86 0.16 -0.29 -0.00 0.00 0.00 178.44 179.16 1qvx h ILE 999 N -0.88 0.09 0.00 1.22 2.10 -0.42 0.85 117.51 120.46 1qvx h ILE 999 Ca -0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 1qvx h ILE 999 Cb 0.85 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1qvx h ILE 999 CO 0.00 0.00 -1.57 -3.20 -1.08 0.00 0.00 178.15 172.30 1qvx n ASN 1000N -3.14 2.36 0.06 2.19 5.15 -0.90 -3.21 115.26 117.77 1qvx n ASN 1000Ca -0.02 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.78 1qvx n ASN 1000Cb 0.23 1.36 -0.14 0.00 -0.53 0.00 0.00 39.78 40.70 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1qvx h LYS 1001N 0.00 0.28 0.11 1.20 1.63 0.11 0.58 116.57 120.46 1qvx h LYS 1001Ca -0.06 -0.47 -0.27 0.00 -0.85 0.00 0.00 60.65 59.00 1qvx h LYS 1001Cb 0.78 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1qvx h LYS 1001CO 0.00 1.15 -1.19 1.98 -3.45 0.00 0.00 179.45 177.94 1qvx h MET 1002N 0.08 0.37 -0.80 1.90 4.05 -1.11 0.38 114.93 119.79 1qvx h MET 1002Ca -0.26 -0.54 0.04 0.00 -0.28 0.00 0.00 59.70 58.66 1qvx h MET 1002Cb 2.03 0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 32.97 1qvx h MET 1002CO 0.17 1.22 0.52 -0.22 0.23 0.00 0.00 176.91 178.83 1qvx h LYS 1003N 0.14 0.95 0.01 0.39 3.64 -1.62 -1.81 116.57 118.27 1qvx h LYS 1003Ca -0.14 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1qvx h LYS 1003Cb 1.88 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1qvx h LYS 1003CO 0.20 0.63 -0.00 1.25 -2.27 0.00 0.00 179.45 179.26 1qvx h LEU 1004N 0.97 -0.01 -0.51 5.20 6.46 0.70 0.44 115.31 128.57 1qvx h LEU 1004Ca 0.32 -0.44 0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1qvx h LEU 1004Cb 0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1qvx h LEU 1004CO -0.09 0.43 0.20 0.00 -0.62 0.00 0.00 178.44 178.36 1qvx h ALA 1005N 0.53 0.63 0.00 1.25 0.00 -0.20 1.21 119.26 122.68 1qvx h ALA 1005Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qvx h ALA 1005Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qvx h ALA 1005CO 0.00 -0.19 0.00 1.04 0.00 0.00 0.00 179.25 180.10 1qvx n GLN 1006N -4.98 0.18 -0.08 0.00 1.13 -0.69 -1.58 117.38 111.36 1qvx n GLN 1006Ca 0.05 0.24 -0.20 0.00 -1.94 0.00 0.00 57.00 55.16 1qvx n GLN 1006Cb 0.19 -1.75 -0.13 0.00 0.11 0.00 0.00 30.24 28.67 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1qvx n GLN 1007N -2.06 0.69 -0.04 -1.09 -0.06 0.15 -4.21 117.38 110.77 1qvx n GLN 1007Ca 0.05 0.20 0.12 0.00 -2.00 0.00 0.00 57.00 55.37 1qvx n GLN 1007Cb 0.33 -1.60 0.47 0.00 -4.06 0.00 0.00 30.24 25.38 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 -3.39 0.09 -0.84 3.69 9.36 0.40 -4.97 117.16 121.50 1qvx n TYR 1008Ca -0.40 -0.05 -0.33 0.00 3.32 0.00 0.00 57.90 60.44 1qvx n TYR 1008Cb 1.01 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.67 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 0.20 0.00 -4.16 2.97 3.14 -0.62 -4.94 118.33 114.92 1qvx n VAL 1009Ca 0.18 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.40 1qvx n VAL 1009Cb 0.33 -0.13 -0.12 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.77 0.69 -0.31 1.45 0.00 -1.26 -4.96 119.30 115.67 1qvx s MET 1010Ca 0.51 -0.76 -0.36 0.00 0.00 0.00 0.00 55.69 55.08 1qvx s MET 1010Cb -0.72 -0.59 -0.12 0.00 0.00 0.00 0.00 34.83 33.40 1qvx s MET 1010CO 0.36 0.13 2.10 2.41 0.00 0.00 0.00 175.02 180.03 1qvx n THR 1011N 1.64 0.24 0.00 10.11 -1.04 -1.26 -0.78 114.28 123.18 1qvx n THR 1011Ca -0.20 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1qvx n THR 1011Cb 0.55 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qvx n SER 1012N 8.98 0.00 0.00 8.00 2.88 -1.26 -4.53 113.62 127.68 1qvx n SER 1012Ca 0.38 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.00 1qvx n SER 1012Cb 0.22 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.10 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qvx n LEU 1013N 0.00 0.00 -0.33 2.46 4.32 -1.09 -3.12 117.00 119.24 1qvx n LEU 1013Ca 0.00 0.42 0.06 0.00 -0.02 0.00 0.00 56.01 56.47 1qvx n LEU 1013Cb 0.00 -0.42 0.21 0.00 -1.62 0.00 0.00 43.42 41.59 1qvx n LEU 1013CO 0.00 -0.16 1.19 -0.61 -1.22 0.00 0.00 177.39 176.59 1qvx h GLN 1014N 0.00 0.87 -0.05 3.23 -0.00 -1.19 -2.31 115.11 115.65 1qvx h GLN 1014Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1qvx h GLN 1014Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 1qvx h GLN 1014CO 0.00 0.57 0.05 -0.56 0.00 0.00 0.00 178.83 178.90 1qvx h GLN 1015N 0.89 0.00 0.36 1.69 3.07 -1.83 -0.46 115.11 118.83 1qvx h GLN 1015Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.20 1qvx h GLN 1015Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.99 1qvx h GLN 1015CO -0.27 0.00 -0.45 1.49 0.09 0.00 0.00 178.83 179.69 1qvx h GLU 1016N 0.00 -0.81 -0.66 0.06 4.57 -1.67 0.13 114.58 116.20 1qvx h GLU 1016Ca 0.02 0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.39 1qvx h GLU 1016Cb 0.13 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1qvx h GLU 1016CO -0.00 -0.54 0.45 1.88 -1.18 0.00 0.00 179.01 179.61 1qvx h TYR 1017N -0.85 0.36 -0.13 0.92 0.05 -1.24 -2.15 116.97 113.94 1qvx h TYR 1017Ca -0.03 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 1qvx h TYR 1017Cb 0.77 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1qvx h TYR 1017CO -0.28 0.15 -0.25 -0.22 -1.05 0.00 0.00 178.16 176.51 1qvx h LYS 1018N 0.32 0.40 0.00 4.88 3.64 -0.90 -2.77 116.57 122.15 1qvx h LYS 1018Ca 0.32 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1qvx h LYS 1018Cb 0.79 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1qvx h LYS 1018CO -0.08 0.86 -0.42 1.57 -2.27 0.00 0.00 179.45 179.10 1qvx h LYS 1019N -0.00 0.00 -0.60 1.90 2.10 -0.28 -0.36 116.57 119.32 1qvx h LYS 1019Ca 0.01 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1qvx h LYS 1019Cb 0.84 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.14 1qvx h LYS 1019CO 0.06 0.42 0.40 1.96 -2.00 0.00 0.00 179.45 180.29 1qvx h GLN 1020N 0.00 0.78 -0.71 0.07 4.20 -1.41 -2.22 115.11 115.83 1qvx h GLN 1020Ca -0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1qvx h GLN 1020Cb 0.86 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1qvx h GLN 1020CO 0.06 0.52 0.38 1.98 -0.67 0.00 0.00 178.83 181.09 1qvx h MET 1021N 0.81 1.00 -0.93 1.46 4.05 -0.95 -1.30 114.93 119.07 1qvx h MET 1021Ca 0.22 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1qvx h MET 1021Cb -0.09 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 30.46 1qvx h MET 1021CO -0.05 0.76 0.61 1.25 0.23 0.00 0.00 176.91 179.70 1qvx h LEU 1022N 0.98 0.97 -0.13 3.39 5.85 -0.78 0.69 115.31 126.27 1qvx h LEU 1022Ca 0.25 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1qvx h LEU 1022Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1qvx h LEU 1022CO -0.04 0.64 -0.12 0.74 -0.34 0.00 0.00 178.44 179.32 1qvx h THR 1023N 1.11 1.35 -0.59 1.05 2.02 -1.03 -3.02 112.91 113.80 1qvx h THR 1023Ca 0.39 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1qvx h THR 1023Cb 0.12 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1qvx h THR 1023CO -0.14 0.37 0.35 0.00 0.37 0.00 0.00 175.52 176.47 1qvx h ALA 1024N 0.61 1.51 -0.63 6.16 0.00 -0.41 -1.97 119.26 124.53 1qvx h ALA 1024Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qvx h ALA 1024Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 1024CO 0.03 0.42 0.41 0.00 0.00 0.00 0.00 179.25 180.12 1qvx h ALA 1025N 1.58 1.65 -0.09 0.00 0.00 0.44 0.13 119.26 122.96 1qvx h ALA 1025Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 1025Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1qvx h ALA 1025CO -0.04 0.29 -0.32 1.25 0.00 0.00 0.00 179.25 180.43 1qvx h HIS 1026N 0.76 0.20 0.22 0.00 2.76 -1.23 -2.47 115.15 115.39 1qvx h HIS 1026Ca 0.25 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1qvx h HIS 1026Cb 0.05 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1qvx h HIS 1026CO -0.00 0.49 -0.11 0.00 -1.30 0.00 0.00 177.93 177.01 1qvx h ALA 1027N 1.51 -0.30 -0.64 5.26 0.00 -0.60 -2.83 119.26 121.66 1qvx h ALA 1027Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1qvx h ALA 1027Cb 0.66 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1qvx h ALA 1027CO 0.05 -0.36 0.42 1.25 0.00 0.00 0.00 179.25 180.61 1qvx h LEU 1028N -0.92 0.65 -1.31 0.00 5.85 -1.24 0.31 115.31 118.64 1qvx h LEU 1028Ca -0.03 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1qvx h LEU 1028Cb 0.49 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1qvx h LEU 1028CO 0.05 0.44 0.54 0.00 -0.34 0.00 0.00 178.44 179.14 1qvx h ALA 1029N 1.63 1.78 -0.46 1.25 0.00 -1.50 -0.99 119.26 120.96 1qvx h ALA 1029Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1qvx h ALA 1029Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1qvx h ALA 1029CO -0.07 0.03 0.06 0.28 0.00 0.00 0.00 179.25 179.55 1qvx h VAL 1030N 0.73 1.22 -0.53 0.00 2.07 -0.14 -1.38 116.25 118.22 1qvx h VAL 1030Ca 0.40 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1qvx h VAL 1030Cb 0.54 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1qvx h VAL 1030CO -0.17 0.30 0.33 0.44 0.02 0.00 0.00 177.57 178.50 1qvx h ASP 1031N 0.69 0.63 0.37 0.57 3.32 -0.61 0.39 116.42 121.78 1qvx h ASP 1031Ca 0.15 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1qvx h ASP 1031Cb 0.34 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1qvx h ASP 1031CO 0.01 0.48 -0.20 0.00 -1.72 0.00 0.00 179.24 177.81 1qvx h ALA 1032N 1.17 -0.53 -0.95 3.45 0.00 -1.22 0.22 119.26 121.40 1qvx h ALA 1032Ca 0.19 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1qvx h ALA 1032Cb -0.04 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1qvx h ALA 1032CO -0.04 -0.80 0.60 -0.22 0.00 0.00 0.00 179.25 178.79 1qvx h LYS 1033N -0.53 0.74 0.17 0.00 3.11 -0.79 0.73 116.57 119.99 1qvx h LYS 1033Ca -0.05 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1qvx h LYS 1033Cb 0.42 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1qvx h LYS 1033CO 0.07 0.49 -0.08 -0.97 -2.81 0.00 0.00 179.45 176.14 1qvx h ASN 1034N 0.76 -0.20 -0.49 4.20 -1.24 0.12 -3.03 115.58 115.71 1qvx h ASN 1034Ca 0.49 -0.34 0.07 0.00 0.71 0.00 0.00 56.30 57.23 1qvx h ASN 1034Cb 0.75 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.82 1qvx h ASN 1034CO -0.26 0.32 0.33 0.25 -1.29 0.00 0.00 177.43 176.79 1qvx h LEU 1035N -0.81 0.34 -0.54 0.34 5.85 -0.53 0.38 115.31 120.33 1qvx h LEU 1035Ca -0.02 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1qvx h LEU 1035Cb 0.52 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1qvx h LEU 1035CO 0.04 0.22 0.10 0.25 -0.34 0.00 0.00 178.44 178.71 1qvx h LEU 1036N 0.38 -0.02 -0.37 2.25 5.85 -0.84 0.76 115.31 123.33 1qvx h LEU 1036Ca 0.22 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1qvx h LEU 1036Cb 0.37 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1qvx h LEU 1036CO -0.05 0.01 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.08 1qvx h ASP 1037N 0.23 0.81 0.25 1.25 1.82 -1.01 -2.13 116.42 117.65 1qvx h ASP 1037Ca 0.28 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1qvx h ASP 1037Cb 0.39 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1qvx h ASP 1037CO -0.37 1.04 -0.42 0.58 -1.61 0.00 0.00 179.24 178.46 1qvx h VAL 1038N 0.58 0.00 0.00 2.25 2.07 0.21 -0.39 116.25 120.97 1qvx h VAL 1038Ca 0.08 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.37 1qvx h VAL 1038Cb 0.75 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1qvx h VAL 1038CO 0.06 0.00 -1.18 0.16 0.02 0.00 0.00 177.57 176.63 1qvx h ILE 1039N -0.72 1.50 -0.83 4.57 -0.00 0.31 0.93 117.51 123.26 1qvx h ILE 1039Ca -0.03 -3.24 0.08 0.00 -0.00 0.00 0.00 64.86 61.67 1qvx h ILE 1039Cb 0.67 2.75 -0.06 0.00 -0.00 0.00 0.00 36.82 40.18 1qvx h ILE 1039CO -0.15 0.86 0.54 -0.78 -0.00 0.00 0.00 178.15 178.63 1qvx h ASP 1040N 0.00 0.77 0.11 2.16 3.58 -1.44 0.38 116.42 121.98 1qvx h ASP 1040Ca -0.08 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.19 1qvx h ASP 1040Cb 1.83 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1qvx h ASP 1040CO 0.12 0.48 -0.72 1.56 -2.88 0.00 0.00 179.24 177.80 1qvx h GLN 1041N 0.87 0.54 -0.16 0.28 7.50 -0.59 -2.99 115.11 120.55 1qvx h GLN 1041Ca 0.37 -0.42 0.05 0.00 0.50 0.00 0.00 58.65 59.15 1qvx h GLN 1041Cb 0.31 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 27.87 1qvx h GLN 1041CO -0.14 1.05 -0.19 0.00 -1.50 0.00 0.00 178.83 178.05 1qvx h ALA 1042N 0.83 -0.11 -0.21 3.87 0.00 0.27 1.45 119.26 125.37 1qvx h ALA 1042Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1qvx h ALA 1042Cb 1.30 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1qvx h ALA 1042CO 0.13 -0.63 0.14 -0.09 0.00 0.00 0.00 179.25 178.80 1qvx h ARG 1043N -0.23 0.13 0.02 0.00 9.65 -0.36 0.31 114.38 123.90 1qvx h ARG 1043Ca 0.11 -0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.77 1qvx h ARG 1043Cb 0.38 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 1qvx h ARG 1043CO -0.29 0.08 -0.96 -0.07 2.80 0.00 0.00 179.97 181.53 1qvx h LEU 1044N 0.13 0.17 -1.31 3.80 4.07 -1.00 -2.92 115.31 118.24 1qvx h LEU 1044Ca 0.09 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.91 1qvx h LEU 1044Cb 0.20 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1qvx h LEU 1044CO -0.01 1.03 0.47 0.11 -1.08 0.00 0.00 178.44 178.95 1qvx h LYS 1045N 0.05 0.92 -0.29 1.13 1.79 0.52 0.74 116.57 121.43 1qvx h LYS 1045Ca -0.04 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.24 1qvx h LYS 1045Cb 1.65 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 1qvx h LYS 1045CO 0.14 0.61 -0.37 1.98 -1.08 0.00 0.00 179.45 180.73 1qvx h MET 1046N 0.94 0.66 -0.54 3.15 4.05 -0.56 -0.61 114.93 122.03 1qvx h MET 1046Ca 0.26 -0.32 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1qvx h MET 1046Cb -0.09 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1qvx h MET 1046CO -0.06 0.93 0.12 0.82 0.23 0.00 0.00 176.91 178.95 1qvx h ILE 1047N 0.55 1.25 -0.47 1.77 1.08 -1.04 -2.20 117.51 118.44 1qvx h ILE 1047Ca 0.05 -0.88 0.06 0.00 -0.39 0.00 0.00 64.86 63.70 1qvx h ILE 1047Cb 0.89 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 1qvx h ILE 1047CO 0.08 0.32 0.18 0.28 -0.69 0.00 0.00 178.15 178.33 1qvx h SER 1048N 0.76 0.21 0.54 1.72 0.02 0.11 -1.23 113.55 115.68 1qvx h SER 1048Ca 0.17 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1qvx h SER 1048Cb 0.35 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1qvx h SER 1048CO 0.00 0.15 -0.28 -0.61 -1.14 0.00 0.00 176.83 174.95 1qvx h GLN 1049N 0.37 -0.73 0.00 3.45 4.15 -1.10 -3.43 115.11 117.82 1qvx h GLN 1049Ca 0.22 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1qvx h GLN 1049Cb 0.21 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1qvx h GLN 1049CO -0.21 -0.49 0.00 0.45 -1.93 0.00 0.00 178.83 176.65 1qvx n SER 1050N -5.43 0.00 -2.62 -0.69 2.88 -1.14 -5.11 113.62 101.51 1qvx n SER 1050Ca -0.12 -0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.30 1qvx n SER 1050Cb 0.32 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 1qvx n SER 1050CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1qvx n ARG 1051N 0.00 -4.56 -1.68 -1.46 0.63 -0.48 -4.85 116.66 104.27 1qvx n ARG 1051Ca 0.00 3.44 -0.45 0.00 -0.92 0.00 0.00 57.85 59.91 1qvx n ARG 1051Cb 0.02 -5.11 -0.04 0.00 0.45 0.00 0.00 32.46 27.78 1qvx n ARG 1051CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1qvx n PRO 1052N 1.65 2.38 0.00 -0.14 -0.02 -1.26 -5.00 135.00 132.61 1qvx n PRO 1052Ca -0.40 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1qvx n PRO 1052Cb 0.62 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1qvx n PRO 1052CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09