#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 -3.44 -4.47 6.15 7.64 -1.26 -4.77 113.62 113.46 1qvx n SER 921 Ca 0.00 0.72 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 1qvx n SER 921 Cb 0.00 -2.88 -0.10 0.00 -1.01 0.00 0.00 64.21 60.22 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 0.79 0.52 -3.26 6.43 4.13 -1.26 -4.87 115.26 117.74 1qvx n ASN 922 Ca -0.09 -1.62 -0.05 0.00 1.68 0.00 0.00 54.58 54.49 1qvx n ASN 922 Cb 0.14 -1.33 0.05 0.00 -1.54 0.00 0.00 39.78 37.09 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 14.77 -1.70 0.03 6.41 -0.08 -1.26 -3.59 116.55 131.13 1qvx n ASP 923 Ca 0.42 -0.15 0.17 0.00 -1.51 0.00 0.00 54.79 53.72 1qvx n ASP 923 Cb 0.40 -0.32 0.33 0.00 2.34 0.00 0.00 41.12 43.87 1qvx n ASP 923 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1qvx h LYS 924 N 0.00 0.00 0.23 -0.67 3.11 -1.98 0.51 116.57 117.77 1qvx h LYS 924 Ca -0.07 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1qvx h LYS 924 Cb 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1qvx h LYS 924 CO 0.04 0.00 -0.27 -0.39 -2.81 0.00 0.00 179.45 176.02 1qvx h VAL 925 N 0.00 0.42 -0.05 2.00 -1.51 -1.88 0.48 116.25 115.72 1qvx h VAL 925 Ca 0.27 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.55 1qvx h VAL 925 Cb 2.34 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1qvx h VAL 925 CO -0.00 0.00 -0.80 0.22 -1.23 0.00 0.00 177.57 175.76 1qvx h TYR 926 N -0.55 0.53 0.63 5.19 3.20 -0.02 -3.12 116.97 122.83 1qvx h TYR 926 Ca 0.00 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 1qvx h TYR 926 Cb 0.52 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1qvx h TYR 926 CO -0.19 1.03 -0.37 0.93 -1.64 0.00 0.00 178.16 177.92 1qvx h GLU 927 N 0.24 -0.90 -0.07 1.82 4.39 -1.42 -2.25 114.58 116.40 1qvx h GLU 927 Ca -0.04 0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 1qvx h GLU 927 Cb 1.39 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1qvx h GLU 927 CO 0.14 -0.60 -0.75 -0.97 -1.16 0.00 0.00 179.01 175.67 1qvx h ASN 928 N -0.93 0.50 -0.51 1.42 -0.00 -0.96 0.55 115.58 115.65 1qvx h ASN 928 Ca -0.08 -0.34 -0.02 0.00 -0.00 0.00 0.00 56.30 55.87 1qvx h ASN 928 Cb 0.75 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.89 1qvx h ASN 928 CO 0.09 1.08 0.26 0.58 -0.00 0.00 0.00 177.43 179.45 1qvx h VAL 929 N 0.28 1.18 -0.46 2.57 2.07 -1.58 0.25 116.25 120.56 1qvx h VAL 929 Ca -0.04 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 1qvx h VAL 929 Cb 1.34 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1qvx h VAL 929 CO 0.13 0.21 -0.10 0.74 0.02 0.00 0.00 177.57 178.57 1qvx h THR 930 N 0.76 1.26 -0.20 2.57 2.02 -1.00 -2.25 112.91 116.08 1qvx h THR 930 Ca 0.19 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1qvx h THR 930 Cb 0.08 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1qvx h THR 930 CO -0.03 0.41 0.14 1.23 0.37 0.00 0.00 175.52 177.64 1qvx h GLY 931 N 0.97 0.06 1.09 2.16 0.00 0.14 0.99 103.07 108.48 1qvx h GLY 931 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1qvx h GLY 931 CO 0.04 0.02 0.48 -2.00 0.00 0.00 0.00 176.54 175.07 1qvx h LEU 932 N 0.05 1.07 -0.57 3.11 5.85 -0.00 0.13 115.31 124.94 1qvx h LEU 932 Ca 0.09 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 932 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1qvx h LEU 932 CO -0.01 0.85 0.01 0.58 -0.34 0.00 0.00 178.44 179.53 1qvx h VAL 933 N 1.20 1.26 -0.33 1.05 2.07 -0.80 -1.61 116.25 119.09 1qvx h VAL 933 Ca 0.30 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1qvx h VAL 933 Cb 0.01 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1qvx h VAL 933 CO -0.05 0.40 0.12 0.11 0.02 0.00 0.00 177.57 178.18 1qvx h LYS 934 N 0.90 0.47 0.00 1.57 6.56 -0.10 0.52 116.57 126.49 1qvx h LYS 934 Ca 0.16 -0.06 -0.14 0.00 -1.06 0.00 0.00 60.65 59.56 1qvx h LYS 934 Cb 0.54 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 1qvx h LYS 934 CO 0.03 0.40 -0.71 0.00 -2.06 0.00 0.00 179.45 177.11 1qvx h ALA 935 N 1.67 0.58 0.00 3.86 0.00 -0.58 -2.30 119.26 122.49 1qvx h ALA 935 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qvx h ALA 935 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qvx h ALA 935 CO -0.01 0.83 0.00 -0.24 0.00 0.00 0.00 179.25 179.83 1qvx h VAL 936 N 0.00 0.00 -0.44 0.00 3.04 -0.69 -2.04 116.25 116.12 1qvx h VAL 936 Ca -0.02 -0.59 -0.11 0.00 -1.01 0.00 0.00 66.70 64.98 1qvx h VAL 936 Cb 1.52 1.55 -0.02 0.00 -2.01 0.00 0.00 31.29 32.33 1qvx h VAL 936 CO 0.08 0.00 -0.17 0.40 -1.01 0.00 0.00 177.57 176.88 1qvx h ILE 937 N 0.00 1.27 -0.97 3.17 2.04 -0.51 -2.56 117.51 119.95 1qvx h ILE 937 Ca 0.00 -1.28 0.17 0.00 1.00 0.00 0.00 64.86 64.75 1qvx h ILE 937 Cb 0.75 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.84 1qvx h ILE 937 CO 0.00 0.44 0.61 -0.33 0.00 0.00 0.00 178.15 178.87 1qvx h GLU 938 N 0.75 0.71 -0.85 2.37 4.39 -0.83 0.24 114.58 121.36 1qvx h GLU 938 Ca 0.11 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1qvx h GLU 938 Cb 0.69 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1qvx h GLU 938 CO 0.05 0.47 0.47 0.00 -1.16 0.00 0.00 179.01 178.84 1qvx h MET 939 N 0.73 1.19 -0.01 2.33 -0.00 -1.26 0.10 114.93 118.01 1qvx h MET 939 Ca 0.52 -0.14 -0.16 0.00 -0.00 0.00 0.00 59.70 59.92 1qvx h MET 939 Cb 0.84 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 32.19 1qvx h MET 939 CO -0.29 0.88 -0.73 1.03 -0.00 0.00 0.00 176.91 177.80 1qvx h SER 940 N 1.19 0.10 0.11 -0.10 0.87 -0.98 -2.34 113.55 112.40 1qvx h SER 940 Ca 0.30 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1qvx h SER 940 Cb 0.03 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1qvx h SER 940 CO -0.05 0.79 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.71 1qvx h SER 941 N 0.05 -0.12 1.09 6.23 0.87 0.20 -2.94 113.55 118.93 1qvx h SER 941 Ca -0.01 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1qvx h SER 941 Cb 1.29 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1qvx h SER 941 CO 0.10 0.42 -0.01 2.29 -0.53 0.00 0.00 176.83 179.10 1qvx n LYS 942 N -4.90 0.06 0.11 2.24 -0.00 0.28 -2.02 118.16 113.93 1qvx n LYS 942 Ca -0.08 0.05 -0.01 0.00 -0.00 0.00 0.00 58.31 58.26 1qvx n LYS 942 Cb 0.27 -1.57 -0.02 0.00 -0.00 0.00 0.00 35.03 33.72 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 1.19 0.17 0.58 -0.00 -1.44 -3.29 117.51 114.73 1qvx h ILE 943 Ca 0.00 -2.65 -0.01 0.00 -0.00 0.00 0.00 64.86 62.21 1qvx h ILE 943 Cb 0.55 2.56 0.00 0.00 -0.00 0.00 0.00 36.82 39.94 1qvx h ILE 943 CO 0.00 0.67 -0.08 1.56 -0.00 0.00 0.00 178.15 180.30 1qvx h GLN 944 N 0.00 -0.22 -0.64 2.19 4.20 -1.22 -3.22 115.11 116.20 1qvx h GLN 944 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1qvx h GLN 944 Cb 1.51 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1qvx h GLN 944 CO 0.09 -0.11 0.00 -0.35 -0.67 0.00 0.00 178.83 177.79 1qvx n PRO 945 N -5.17 3.95 -4.36 1.46 -0.04 -1.25 -4.98 135.00 124.61 1qvx n PRO 945 Ca -0.09 -2.65 -0.18 0.00 -0.04 0.00 0.00 63.50 60.54 1qvx n PRO 945 Cb 0.13 -2.01 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 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 -2.20 1.97 0.61 0.55 0.00 -1.22 -5.13 121.76 116.33 1qvx s ALA 946 Ca 0.47 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1qvx s ALA 946 Cb 0.33 0.62 0.04 0.00 0.00 0.00 0.00 23.12 24.11 1qvx s ALA 946 CO 0.18 -0.29 0.86 -1.25 0.00 0.00 0.00 175.76 175.25 1qvx s PRO 947 N -3.89 2.42 0.58 0.00 0.05 -1.26 -4.92 135.00 127.97 1qvx s PRO 947 Ca 0.32 -0.60 0.31 0.00 0.05 0.00 0.00 61.00 61.08 1qvx s PRO 947 Cb 0.07 -2.38 1.34 0.00 0.05 0.00 0.00 34.50 33.58 1qvx s PRO 947 CO 0.11 -0.90 1.68 -1.00 0.05 0.00 0.00 177.00 176.94 1qvx h PRO 948 N -0.17 0.00 0.00 0.56 0.13 -2.00 0.16 132.00 130.69 1qvx h PRO 948 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1qvx h PRO 948 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1qvx h PRO 948 CO 0.55 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 1qvx n GLU 949 N -3.67 0.00 -0.04 0.86 -0.58 -1.26 0.61 120.64 116.56 1qvx n GLU 949 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1qvx n GLU 949 Cb 1.13 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 30.42 1qvx n GLU 949 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1qvx n GLU 950 N -0.78 1.16 -0.31 3.49 0.00 0.56 -4.06 120.64 120.70 1qvx n GLU 950 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 57.16 57.25 1qvx n GLU 950 Cb 0.00 -1.34 0.34 0.00 0.00 0.00 0.00 31.44 30.44 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1qvx h TYR 951 N 0.00 0.67 0.26 -1.84 0.05 -0.04 1.11 116.97 117.18 1qvx h TYR 951 Ca -0.19 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1qvx h TYR 951 Cb 1.26 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1qvx h TYR 951 CO 0.00 -0.09 -0.12 -0.24 -1.05 0.00 0.00 178.16 176.66 1qvx h VAL 952 N 0.37 0.27 0.00 -2.88 3.04 -1.68 -3.13 116.25 112.23 1qvx h VAL 952 Ca 0.59 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1qvx h VAL 952 Cb 1.19 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1qvx h VAL 952 CO -0.56 0.07 0.00 -0.65 -1.01 0.00 0.00 177.57 175.42 1qvx h PRO 953 N -1.04 0.00 -0.22 4.17 0.11 -1.60 -0.65 132.00 132.77 1qvx h PRO 953 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 1qvx h PRO 953 Cb 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1qvx h PRO 953 CO 0.06 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 177.51 1qvx h MET 954 N 0.00 0.63 0.00 1.05 -0.00 0.12 -2.16 114.93 114.56 1qvx h MET 954 Ca 0.00 -0.38 -0.07 0.00 -0.00 0.00 0.00 59.70 59.26 1qvx h MET 954 Cb 0.20 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 1qvx h MET 954 CO 0.00 0.99 -0.33 0.28 -0.00 0.00 0.00 176.91 177.85 1qvx h VAL 955 N 0.32 1.00 -0.69 -0.10 2.07 -1.35 -2.19 116.25 115.31 1qvx h VAL 955 Ca 0.02 -1.22 0.12 0.00 0.82 0.00 0.00 66.70 66.44 1qvx h VAL 955 Cb 0.93 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 1qvx h VAL 955 CO 0.08 0.32 0.26 0.50 0.02 0.00 0.00 177.57 178.75 1qvx h LYS 956 N 0.00 0.40 -0.45 1.57 1.63 -0.73 0.83 116.57 119.82 1qvx h LYS 956 Ca -0.00 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1qvx h LYS 956 Cb 0.68 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.17 1qvx h LYS 956 CO 0.04 0.27 0.18 0.93 -3.45 0.00 0.00 179.45 177.42 1qvx h GLU 957 N 0.42 0.35 0.00 1.90 4.39 -0.76 -2.30 114.58 118.57 1qvx h GLU 957 Ca 0.37 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.00 1qvx h GLU 957 Cb 0.52 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1qvx h GLU 957 CO -0.37 0.23 -0.40 -0.24 -1.16 0.00 0.00 179.01 177.07 1qvx h VAL 958 N 0.36 0.34 -0.16 3.13 3.04 -1.16 -2.81 116.25 118.98 1qvx h VAL 958 Ca 0.21 -1.50 -0.08 0.00 -1.01 0.00 0.00 66.70 64.32 1qvx h VAL 958 Cb 0.18 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1qvx h VAL 958 CO -0.19 0.19 -0.21 1.23 -1.01 0.00 0.00 177.57 177.57 1qvx h GLY 959 N 3.80 0.47 2.00 3.17 0.00 0.96 -1.33 103.07 112.14 1qvx h GLY 959 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1qvx h GLY 959 CO 0.03 0.46 -0.13 1.41 0.00 0.00 0.00 176.54 178.31 1qvx h LEU 960 N 0.06 0.00 0.50 3.11 3.38 -1.53 -2.51 115.31 118.33 1qvx h LEU 960 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1qvx h LEU 960 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1qvx h LEU 960 CO 0.05 0.13 -0.24 0.00 0.09 0.00 0.00 178.44 178.47 1qvx h ALA 961 N 1.87 -0.67 0.00 1.53 0.00 -1.11 0.34 119.26 121.22 1qvx h ALA 961 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 961 Cb 0.40 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qvx h ALA 961 CO 0.02 -0.83 -0.24 1.25 0.00 0.00 0.00 179.25 179.44 1qvx h LEU 962 N -0.76 0.00 -0.12 0.00 6.46 -1.17 0.50 115.31 120.21 1qvx h LEU 962 Ca -0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1qvx h LEU 962 Cb 0.56 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1qvx h LEU 962 CO 0.11 0.24 0.01 0.03 -0.62 0.00 0.00 178.44 178.21 1qvx h ARG 963 N 0.00 0.21 -0.97 1.25 3.08 -1.28 0.12 114.38 116.80 1qvx h ARG 963 Ca -0.00 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1qvx h ARG 963 Cb 0.50 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1qvx h ARG 963 CO 0.03 0.43 0.61 1.15 -1.07 0.00 0.00 179.97 181.12 1qvx h THR 964 N -0.03 1.00 -0.06 2.04 2.02 0.41 0.14 112.91 118.42 1qvx h THR 964 Ca 0.04 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1qvx h THR 964 Cb 0.33 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1qvx h THR 964 CO 0.00 0.19 0.05 0.25 0.37 0.00 0.00 175.52 176.38 1qvx h LEU 965 N 1.04 0.00 -1.46 2.58 7.12 0.31 0.13 115.31 125.03 1qvx h LEU 965 Ca 0.45 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.41 1qvx h LEU 965 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 1qvx h LEU 965 CO -0.22 0.00 -0.21 -0.07 -0.13 0.00 0.00 178.44 177.81 1qvx h LEU 966 N 0.00 0.00 -0.66 2.25 -0.00 0.20 0.39 115.31 117.50 1qvx h LEU 966 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.78 1qvx h LEU 966 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1qvx h LEU 966 CO -0.00 0.21 -0.32 0.00 -0.00 0.00 0.00 178.44 178.33 1qvx h ALA 967 N 1.79 0.84 -0.67 1.53 0.00 -0.80 -1.46 119.26 120.49 1qvx h ALA 967 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1qvx h ALA 967 Cb 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 967 CO 0.03 0.64 0.18 1.15 0.00 0.00 0.00 179.25 181.24 1qvx h THR 968 N 0.58 1.26 -0.59 0.00 2.02 -1.00 0.62 112.91 115.79 1qvx h THR 968 Ca 0.06 -0.93 0.13 0.00 0.77 0.00 0.00 66.41 66.44 1qvx h THR 968 Cb 0.84 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1qvx h THR 968 CO 0.07 0.36 0.41 0.58 0.37 0.00 0.00 175.52 177.30 1qvx h VAL 969 N 0.99 0.81 0.00 3.16 2.07 -0.74 0.80 116.25 123.34 1qvx h VAL 969 Ca 0.21 -0.09 -0.20 0.00 0.82 0.00 0.00 66.70 67.45 1qvx h VAL 969 Cb 0.35 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1qvx h VAL 969 CO -0.00 0.05 -0.96 -0.78 0.02 0.00 0.00 177.57 175.90 1qvx h ASP 970 N 0.25 0.00 0.02 0.57 3.58 -0.12 0.24 116.42 120.96 1qvx h ASP 970 Ca 0.28 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1qvx h ASP 970 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1qvx h ASP 970 CO -0.06 0.95 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.92 1qvx h GLU 971 N 0.00 -0.02 0.00 0.28 4.39 0.19 -2.68 114.58 116.73 1qvx h GLU 971 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1qvx h GLU 971 Cb 1.74 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1qvx h GLU 971 CO 0.12 0.19 -0.07 1.03 -1.16 0.00 0.00 179.01 179.12 1qvx h SER 972 N -0.23 0.00 0.11 1.42 0.87 -0.85 -3.19 113.55 111.67 1qvx h SER 972 Ca -0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1qvx h SER 972 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1qvx h SER 972 CO 0.00 0.07 -0.17 0.25 -0.53 0.00 0.00 176.83 176.45 1qvx h LEU 973 N 0.00 -0.48 -2.15 2.23 5.85 -0.15 0.69 115.31 121.30 1qvx h LEU 973 Ca -0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1qvx h LEU 973 Cb 0.28 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1qvx h LEU 973 CO 0.01 -0.25 0.13 -0.65 -0.34 0.00 0.00 178.44 177.33 1qvx h PRO 974 N -0.34 0.00 0.00 5.25 0.11 -1.62 0.21 132.00 135.61 1qvx h PRO 974 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1qvx h PRO 974 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1qvx h PRO 974 CO -0.09 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 177.98 1qvx n VAL 975 N -4.19 0.14 0.05 3.15 0.31 0.20 -3.12 118.33 114.86 1qvx n VAL 975 Ca 0.01 0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 1qvx n VAL 975 Cb 0.25 -0.57 -0.09 0.00 -0.91 0.00 0.00 33.84 32.52 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 -0.15 -1.72 7.52 6.46 0.36 0.52 115.31 128.30 1qvx h LEU 976 Ca 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1qvx h LEU 976 Cb 0.39 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1qvx h LEU 976 CO 0.00 0.37 0.00 1.55 -0.62 0.00 0.00 178.44 179.74 1qvx h PRO 977 N -0.72 0.00 0.29 5.25 0.13 -1.62 -2.56 132.00 132.78 1qvx h PRO 977 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1qvx h PRO 977 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1qvx h PRO 977 CO 0.03 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 177.66 1qvx h ALA 978 N 2.05 -0.40 0.00 -0.56 0.00 -1.46 -3.48 119.26 115.41 1qvx h ALA 978 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qvx h ALA 978 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qvx h ALA 978 CO 0.00 -0.48 0.00 0.43 0.00 0.00 0.00 179.25 179.20 1qvx n SER 979 N -5.07 0.00 0.24 0.00 7.64 0.11 -4.83 113.62 111.71 1qvx n SER 979 Ca -0.09 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.94 1qvx n SER 979 Cb 0.26 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.26 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 0.00 0.00 0.44 2.02 -0.24 -3.27 112.91 111.86 1qvx h THR 980 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qvx h THR 980 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1qvx h THR 980 CO 0.00 0.00 0.56 1.12 0.37 0.00 0.00 175.52 177.57 1qvx h HIS 981 N 0.00 0.00 0.12 3.16 2.07 -1.69 0.11 115.15 118.92 1qvx h HIS 981 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1qvx h HIS 981 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1qvx h HIS 981 CO 0.00 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 174.80 1qvx h ARG 982 N 0.00 -0.15 0.22 5.12 3.08 -1.88 -3.32 114.38 117.45 1qvx h ARG 982 Ca 0.00 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.74 1qvx h ARG 982 Cb 1.13 0.03 0.04 0.00 0.08 0.00 0.00 29.97 31.25 1qvx h ARG 982 CO 0.00 0.27 -1.40 0.93 -1.07 0.00 0.00 179.97 178.70 1qvx h GLU 983 N -0.94 0.56 -0.81 0.04 3.07 -1.35 -3.14 114.58 112.02 1qvx h GLU 983 Ca -0.02 -0.90 0.13 0.00 -0.50 0.00 0.00 59.36 58.08 1qvx h GLU 983 Cb 0.50 0.33 -0.06 0.00 -0.84 0.00 0.00 28.75 28.67 1qvx h GLU 983 CO 0.03 1.43 0.53 0.97 -1.40 0.00 0.00 179.01 180.57 1qvx h ILE 984 N 0.17 0.84 0.02 3.13 6.09 -1.06 0.19 117.51 126.88 1qvx h ILE 984 Ca -0.24 -0.20 -0.26 0.00 -1.37 0.00 0.00 64.86 62.79 1qvx h ILE 984 Cb 2.09 0.20 0.01 0.00 0.47 0.00 0.00 36.82 39.60 1qvx h ILE 984 CO 0.26 0.11 -1.04 1.05 -3.07 0.00 0.00 178.15 175.46 1qvx h GLU 985 N 0.59 0.57 0.04 2.19 4.11 -1.67 -2.62 114.58 117.79 1qvx h GLU 985 Ca 0.40 -0.64 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1qvx h GLU 985 Cb 0.71 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1qvx h GLU 985 CO -0.16 1.25 -0.04 0.00 0.07 0.00 0.00 179.01 180.13 1qvx h MET 986 N 0.31 -0.09 0.13 1.06 -0.00 -0.59 -1.53 114.93 114.20 1qvx h MET 986 Ca -0.12 0.01 -0.28 0.00 -0.00 0.00 0.00 59.70 59.30 1qvx h MET 986 Cb 1.70 0.02 0.02 0.00 -0.00 0.00 0.00 31.60 33.33 1qvx h MET 986 CO 0.19 -0.06 -1.23 0.00 -0.00 0.00 0.00 176.91 175.81 1qvx h ALA 987 N 0.86 0.07 -0.84 -3.00 0.00 -1.56 -3.11 119.26 111.68 1qvx h ALA 987 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 1qvx h ALA 987 Cb 0.10 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1qvx h ALA 987 CO -0.02 0.81 0.44 0.37 0.00 0.00 0.00 179.25 180.86 1qvx h GLN 988 N 0.18 1.18 -0.94 0.00 -0.00 -1.34 0.76 115.11 114.95 1qvx h GLN 988 Ca -0.16 -0.15 0.02 0.00 -0.00 0.00 0.00 58.65 58.36 1qvx h GLN 988 Cb 1.92 -0.23 -0.05 0.00 0.00 0.00 0.00 27.48 29.12 1qvx h GLN 988 CO 0.22 0.88 0.62 0.87 0.00 0.00 0.00 178.83 181.42 1qvx h LYS 989 N 1.18 1.21 -0.29 1.69 1.79 -1.36 -2.21 116.57 118.57 1qvx h LYS 989 Ca 0.29 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1qvx h LYS 989 Cb 0.06 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 1qvx h LYS 989 CO -0.04 0.80 -0.30 1.25 -1.08 0.00 0.00 179.45 180.08 1qvx h LEU 990 N 1.25 0.63 -0.06 2.94 5.85 -0.95 -3.01 115.31 121.95 1qvx h LEU 990 Ca 0.36 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 990 Cb -0.10 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 1qvx h LEU 990 CO -0.09 0.89 0.04 -0.07 -0.34 0.00 0.00 178.44 178.87 1qvx h LEU 991 N 0.53 0.07 -0.80 2.25 3.38 0.98 -0.92 115.31 120.80 1qvx h LEU 991 Ca 0.06 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1qvx h LEU 991 Cb 0.78 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1qvx h LEU 991 CO 0.06 0.05 0.44 -1.13 0.09 0.00 0.00 178.44 177.95 1qvx h ASN 992 N 0.08 0.59 0.01 -0.43 -0.73 -1.32 0.43 115.58 114.21 1qvx h ASN 992 Ca 0.02 0.06 -0.24 0.00 1.87 0.00 0.00 56.30 58.02 1qvx h ASN 992 Cb -0.01 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 38.55 1qvx h ASN 992 CO -0.01 0.32 -0.90 0.28 -0.37 0.00 0.00 177.43 176.76 1qvx h SER 993 N 0.71 0.83 0.16 1.15 0.02 -1.36 -2.87 113.55 112.19 1qvx h SER 993 Ca 0.40 -0.61 -0.36 0.00 -0.84 0.00 0.00 61.79 60.38 1qvx h SER 993 Cb 0.43 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1qvx h SER 993 CO -0.28 1.40 -1.94 0.44 -1.14 0.00 0.00 176.83 175.31 1qvx h ASP 994 N 0.42 0.44 -0.09 3.07 5.19 -0.69 -2.59 116.42 122.17 1qvx h ASP 994 Ca -0.08 -0.92 -0.01 0.00 -0.62 0.00 0.00 57.03 55.40 1qvx h ASP 994 Cb 1.53 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1qvx h ASP 994 CO 0.17 1.82 0.03 0.25 -3.12 0.00 0.00 179.24 178.39 1qvx h LEU 995 N 0.08 0.16 -0.02 1.55 7.12 -1.10 -0.53 115.31 122.58 1qvx h LEU 995 Ca -0.40 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.60 1qvx h LEU 995 Cb 2.05 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 42.13 1qvx h LEU 995 CO 0.11 0.17 -0.00 0.00 -0.13 0.00 0.00 178.44 178.59 1qvx h ALA 996 N 1.85 0.01 -0.23 1.25 0.00 -1.46 0.21 119.26 120.90 1qvx h ALA 996 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qvx h ALA 996 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qvx h ALA 996 CO -0.00 -0.50 0.12 0.93 0.00 0.00 0.00 179.25 179.80 1qvx h GLU 997 N -0.00 0.31 -0.29 0.00 5.08 -1.03 -0.75 114.58 117.90 1qvx h GLU 997 Ca 0.01 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1qvx h GLU 997 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1qvx h GLU 997 CO -0.02 0.24 -0.14 1.25 -1.00 0.00 0.00 179.01 179.34 1qvx h LEU 998 N 0.31 0.48 -1.28 1.33 7.12 0.05 0.76 115.31 124.08 1qvx h LEU 998 Ca 0.08 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 1qvx h LEU 998 Cb 0.02 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.00 1qvx h LEU 998 CO -0.01 0.65 0.22 0.40 -0.13 0.00 0.00 178.44 179.57 1qvx h ILE 999 N 0.46 1.18 0.00 4.05 2.04 0.85 -0.47 117.51 125.62 1qvx h ILE 999 Ca 0.08 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1qvx h ILE 999 Cb 0.51 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1qvx h ILE 999 CO 0.03 0.22 -0.36 0.59 0.00 0.00 0.00 178.15 178.63 1qvx n ASN 1000N -4.36 0.58 -0.15 1.72 3.02 -0.68 -2.51 115.26 112.88 1qvx n ASN 1000Ca 0.04 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.68 1qvx n ASN 1000Cb 0.14 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qvx h LYS 1001N 0.00 0.97 0.07 3.52 3.11 0.22 1.24 116.57 125.70 1qvx h LYS 1001Ca 0.00 -0.45 -0.25 0.00 -2.81 0.00 0.00 60.65 57.15 1qvx h LYS 1001Cb 0.66 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1qvx h LYS 1001CO 0.00 1.12 -1.10 0.00 -2.81 0.00 0.00 179.45 176.65 1qvx h MET 1002N 0.81 0.25 0.19 1.90 -0.00 -1.49 -3.05 114.93 113.54 1qvx h MET 1002Ca 0.09 -0.37 -0.01 0.00 -0.00 0.00 0.00 59.70 59.42 1qvx h MET 1002Cb 0.86 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.59 1qvx h MET 1002CO 0.08 1.13 -0.09 -0.22 -0.00 0.00 0.00 176.91 177.81 1qvx h LYS 1003N 0.10 -0.25 -0.63 -0.10 3.64 -1.37 -2.60 116.57 115.36 1qvx h LYS 1003Ca -0.10 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1qvx h LYS 1003Cb 1.80 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.61 1qvx h LYS 1003CO 0.18 0.13 0.27 -0.07 -2.27 0.00 0.00 179.45 177.68 1qvx h LEU 1004N -0.93 0.31 -0.27 5.20 4.07 0.14 1.67 115.31 125.51 1qvx h LEU 1004Ca -0.03 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1qvx h LEU 1004Cb 0.48 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1qvx h LEU 1004CO 0.04 0.19 0.14 0.00 -1.08 0.00 0.00 178.44 177.73 1qvx h ALA 1005N 1.41 0.33 0.00 1.53 0.00 -1.63 0.31 119.26 121.21 1qvx h ALA 1005Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1qvx h ALA 1005Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qvx h ALA 1005CO -0.28 -0.24 0.00 1.04 0.00 0.00 0.00 179.25 179.77 1qvx n GLN 1006N -4.96 0.02 0.04 0.00 1.13 -0.74 0.05 117.38 112.92 1qvx n GLN 1006Ca -0.02 0.03 -0.19 0.00 -1.94 0.00 0.00 57.00 54.88 1qvx n GLN 1006Cb 0.06 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.78 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1qvx h GLN 1007N 0.00 0.39 0.17 -1.09 5.75 0.36 -3.35 115.11 117.34 1qvx h GLN 1007Ca 0.00 -0.53 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 1qvx h GLN 1007Cb 0.46 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1qvx h GLN 1007CO 0.00 1.20 -0.08 -0.92 -2.65 0.00 0.00 178.83 176.38 1qvx h TYR 1008N -0.16 -0.22 -6.30 3.99 3.20 -0.87 -3.47 116.97 113.14 1qvx h TYR 1008Ca -0.12 -0.01 -0.37 0.00 3.14 0.00 0.00 58.73 61.37 1qvx h TYR 1008Cb 1.54 0.07 -0.23 0.00 1.54 0.00 0.00 36.73 39.66 1qvx h TYR 1008CO 0.16 0.05 -0.54 1.55 -1.64 0.00 0.00 178.16 177.75 1qvx n VAL 1009N -4.92 -0.01 -2.95 1.81 3.14 0.11 -4.88 118.33 110.62 1qvx n VAL 1009Ca -0.05 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.91 1qvx n VAL 1009Cb 0.18 -0.31 -0.05 0.00 -1.06 0.00 0.00 33.84 32.61 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 -6.33 4.19 -0.24 1.45 0.00 -1.26 -4.95 119.30 112.15 1qvx s MET 1010Ca 0.50 0.85 -0.37 0.00 0.00 0.00 0.00 55.69 56.67 1qvx s MET 1010Cb -0.29 -3.63 -0.13 0.00 0.00 0.00 0.00 34.83 30.78 1qvx s MET 1010CO 0.61 -0.45 1.90 0.25 0.00 0.00 0.00 175.02 177.33 1qvx n THR 1011N 5.13 0.37 0.00 10.11 -2.24 -1.26 0.36 114.28 126.75 1qvx n THR 1011Ca 0.04 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1qvx n THR 1011Cb 0.48 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qvx n SER 1012N 6.92 0.00 0.00 3.42 7.64 -1.26 -4.55 113.62 125.79 1qvx n SER 1012Ca 0.29 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.30 1qvx n SER 1012Cb 0.21 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.02 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qvx n LEU 1013N 0.00 0.00 0.17 -3.43 4.32 -0.75 -3.35 117.00 113.96 1qvx n LEU 1013Ca 0.00 0.40 0.18 0.00 -0.02 0.00 0.00 56.01 56.57 1qvx n LEU 1013Cb 0.00 -0.40 0.80 0.00 -1.62 0.00 0.00 43.42 42.20 1qvx n LEU 1013CO 0.00 -0.05 1.16 -0.61 -1.22 0.00 0.00 177.39 176.67 1qvx h GLN 1014N 0.00 0.00 -0.69 3.23 -0.00 -0.33 -3.07 115.11 114.25 1qvx h GLN 1014Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.78 1qvx h GLN 1014Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.79 1qvx h GLN 1014CO 0.00 0.00 0.46 -0.56 0.00 0.00 0.00 178.83 178.73 1qvx h GLN 1015N 0.00 0.39 -0.40 1.69 3.07 -1.83 0.28 115.11 118.31 1qvx h GLN 1015Ca 0.12 -0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.92 1qvx h GLN 1015Cb 0.68 -0.09 -0.08 0.00 0.08 0.00 0.00 27.48 28.06 1qvx h GLN 1015CO -0.00 0.26 -0.16 1.49 0.09 0.00 0.00 178.83 180.51 1qvx h GLU 1016N 0.40 -0.08 0.00 0.06 4.57 -1.85 0.44 114.58 118.13 1qvx h GLU 1016Ca 0.33 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.49 1qvx h GLU 1016Cb 0.73 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1qvx h GLU 1016CO -0.10 -0.05 -0.14 1.88 -1.18 0.00 0.00 179.01 179.42 1qvx h TYR 1017N -0.08 0.00 -0.66 0.92 -1.99 -0.77 -3.10 116.97 111.28 1qvx h TYR 1017Ca 0.20 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 1qvx h TYR 1017Cb 0.38 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.09 1qvx h TYR 1017CO -0.41 0.14 0.09 -0.22 -0.00 0.00 0.00 178.16 177.76 1qvx h LYS 1018N 0.00 1.10 0.65 4.88 3.64 0.26 0.21 116.57 127.31 1qvx h LYS 1018Ca -0.00 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1qvx h LYS 1018Cb 0.95 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1qvx h LYS 1018CO 0.02 1.02 -0.31 0.87 -2.27 0.00 0.00 179.45 178.77 1qvx h LYS 1019N 1.03 -0.84 -0.57 1.90 1.57 -0.90 -0.09 116.57 118.67 1qvx h LYS 1019Ca 0.20 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.15 1qvx h LYS 1019Cb 0.46 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.85 1qvx h LYS 1019CO 0.02 -0.53 -0.12 1.96 -0.57 0.00 0.00 179.45 180.21 1qvx h GLN 1020N -0.97 0.02 0.00 3.15 4.20 -1.48 -1.00 115.11 119.03 1qvx h GLN 1020Ca -0.09 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1qvx h GLN 1020Cb 0.70 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1qvx h GLN 1020CO 0.15 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.32 1qvx h MET 1021N 0.02 0.00 -0.09 1.46 -0.00 -0.52 -1.55 114.93 114.25 1qvx h MET 1021Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.95 1qvx h MET 1021Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1qvx h MET 1021CO -0.57 0.00 -0.05 1.25 -0.00 0.00 0.00 176.91 177.54 1qvx h LEU 1022N 0.00 0.20 -1.29 -0.10 6.46 0.30 -2.18 115.31 118.70 1qvx h LEU 1022Ca 0.00 -0.42 -0.05 0.00 -0.12 0.00 0.00 57.88 57.29 1qvx h LEU 1022Cb 0.66 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1qvx h LEU 1022CO 0.00 0.58 -0.03 0.74 -0.62 0.00 0.00 178.44 179.11 1qvx h THR 1023N -0.18 1.19 -0.30 1.05 2.02 -1.09 -2.06 112.91 113.54 1qvx h THR 1023Ca 0.02 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1qvx h THR 1023Cb 0.51 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1qvx h THR 1023CO 0.01 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.19 1qvx h ALA 1024N 1.55 1.51 -0.05 6.16 0.00 -1.16 -1.65 119.26 125.62 1qvx h ALA 1024Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 1024Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qvx h ALA 1024CO 0.01 0.36 -0.47 0.00 0.00 0.00 0.00 179.25 179.15 1qvx h ALA 1025N 1.62 1.12 -0.32 0.00 0.00 -0.71 -2.46 119.26 118.50 1qvx h ALA 1025Ca 0.10 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1qvx h ALA 1025Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qvx h ALA 1025CO 0.00 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.05 1qvx h HIS 1026N 0.10 0.55 -0.39 0.00 6.17 -1.11 -0.22 115.15 120.25 1qvx h HIS 1026Ca 0.00 -0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.05 1qvx h HIS 1026Cb 0.87 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.61 1qvx h HIS 1026CO 0.01 0.59 0.18 0.00 0.71 0.00 0.00 177.93 179.41 1qvx h ALA 1027N 1.44 0.48 -0.32 5.26 0.00 -1.12 -0.28 119.26 124.73 1qvx h ALA 1027Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qvx h ALA 1027Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1qvx h ALA 1027CO 0.02 -0.19 0.15 1.25 0.00 0.00 0.00 179.25 180.48 1qvx h LEU 1028N 0.37 0.42 -1.31 0.00 5.85 -1.33 -1.97 115.31 117.35 1qvx h LEU 1028Ca 0.17 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1qvx h LEU 1028Cb 0.10 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1qvx h LEU 1028CO -0.14 0.43 0.54 0.00 -0.34 0.00 0.00 178.44 178.94 1qvx h ALA 1029N 1.00 1.75 -0.36 1.25 0.00 -0.58 0.25 119.26 122.57 1qvx h ALA 1029Ca 0.11 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1qvx h ALA 1029Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1qvx h ALA 1029CO -0.01 0.07 -0.11 0.28 0.00 0.00 0.00 179.25 179.48 1qvx h VAL 1030N 0.76 1.24 -0.30 0.00 2.07 -0.57 0.14 116.25 119.59 1qvx h VAL 1030Ca 0.39 -1.08 -0.17 0.00 0.82 0.00 0.00 66.70 66.66 1qvx h VAL 1030Cb 0.48 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1qvx h VAL 1030CO -0.16 0.36 -0.49 -2.24 0.02 0.00 0.00 177.57 175.06 1qvx h ASP 1031N 0.58 0.92 0.32 0.57 3.04 0.13 0.21 116.42 122.18 1qvx h ASP 1031Ca 0.10 -0.47 -0.02 0.00 -3.24 0.00 0.00 57.03 53.41 1qvx h ASP 1031Cb 0.53 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 1qvx h ASP 1031CO 0.03 1.25 -0.15 0.00 -2.04 0.00 0.00 179.24 178.33 1qvx h ALA 1032N 0.78 -0.43 -0.18 4.15 0.00 -0.92 -2.53 119.26 120.13 1qvx h ALA 1032Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qvx h ALA 1032Cb 1.08 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1qvx h ALA 1032CO 0.11 -0.70 0.11 -0.22 0.00 0.00 0.00 179.25 178.55 1qvx h LYS 1033N -0.52 0.24 -0.46 0.00 3.11 -0.49 0.31 116.57 118.76 1qvx h LYS 1033Ca -0.04 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.71 1qvx h LYS 1033Cb 0.39 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1qvx h LYS 1033CO 0.07 0.17 0.01 -0.97 -2.81 0.00 0.00 179.45 175.92 1qvx h ASN 1034N 0.23 0.71 0.71 4.20 -1.24 -0.65 -2.51 115.58 117.03 1qvx h ASN 1034Ca 0.06 -0.16 -0.24 0.00 0.71 0.00 0.00 56.30 56.68 1qvx h ASN 1034Cb -0.01 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 1qvx h ASN 1034CO -0.01 0.77 -1.09 0.25 -1.29 0.00 0.00 177.43 176.06 1qvx h LEU 1035N 0.70 0.28 -1.55 0.34 5.85 -1.04 -0.65 115.31 119.23 1qvx h LEU 1035Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 1035Cb 0.42 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1qvx h LEU 1035CO 0.02 1.18 0.00 0.17 -0.34 0.00 0.00 178.44 179.47 1qvx h LEU 1036N 0.07 0.00 0.13 2.25 8.10 -0.05 0.79 115.31 126.59 1qvx h LEU 1036Ca -0.08 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.56 1qvx h LEU 1036Cb 1.80 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.01 1qvx h LEU 1036CO 0.17 0.00 -1.89 -0.78 -4.11 0.00 0.00 178.44 171.83 1qvx h ASP 1037N 0.00 0.43 0.07 0.17 3.58 -1.39 -2.71 116.42 116.56 1qvx h ASP 1037Ca 0.00 -0.85 0.01 0.00 0.42 0.00 0.00 57.03 56.61 1qvx h ASP 1037Cb 0.35 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1qvx h ASP 1037CO 0.00 1.75 -0.45 0.58 -2.88 0.00 0.00 179.24 178.24 1qvx h VAL 1038N 0.08 0.00 0.00 2.25 2.07 0.76 0.40 116.25 121.80 1qvx h VAL 1038Ca -0.38 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1qvx h VAL 1038Cb 2.05 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1qvx h VAL 1038CO 0.12 0.00 -0.39 0.16 0.02 0.00 0.00 177.57 177.47 1qvx h ILE 1039N -0.62 0.70 -0.64 4.57 -0.00 0.27 0.47 117.51 122.26 1qvx h ILE 1039Ca -0.00 -1.88 0.02 0.00 -0.00 0.00 0.00 64.86 62.99 1qvx h ILE 1039Cb 0.63 2.26 -0.03 0.00 -0.00 0.00 0.00 36.82 39.68 1qvx h ILE 1039CO -0.27 0.38 0.42 -0.78 -0.00 0.00 0.00 178.15 177.91 1qvx h ASP 1040N 0.00 0.71 0.08 2.16 3.58 -1.34 0.17 116.42 121.77 1qvx h ASP 1040Ca -0.00 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.25 1qvx h ASP 1040Cb 1.23 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1qvx h ASP 1040CO 0.05 0.50 -0.67 1.56 -2.88 0.00 0.00 179.24 177.81 1qvx h GLN 1041N 0.83 0.55 -0.23 0.28 1.08 0.87 -3.15 115.11 115.35 1qvx h GLN 1041Ca 0.24 -0.41 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1qvx h GLN 1041Cb -0.03 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.40 1qvx h GLN 1041CO -0.06 1.03 -0.24 0.00 -0.95 0.00 0.00 178.83 178.61 1qvx h ALA 1042N 0.87 -0.14 -0.98 3.87 0.00 0.16 1.42 119.26 124.45 1qvx h ALA 1042Ca -0.02 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1qvx h ALA 1042Cb 1.24 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1qvx h ALA 1042CO 0.12 -0.67 0.61 0.07 0.00 0.00 0.00 179.25 179.38 1qvx h ARG 1043N -0.26 0.74 0.00 0.00 -0.00 -0.80 0.94 114.38 115.01 1qvx h ARG 1043Ca 0.13 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.98 59.99 1qvx h ARG 1043Cb 0.46 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 1qvx h ARG 1043CO -0.37 0.49 -0.38 1.25 -0.00 0.00 0.00 179.97 180.95 1qvx h LEU 1044N 0.76 0.00 -0.60 0.08 5.85 -0.76 -3.00 115.31 117.64 1qvx h LEU 1044Ca 0.53 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 1qvx h LEU 1044Cb 0.82 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1qvx h LEU 1044CO -0.31 0.34 0.26 0.11 -0.34 0.00 0.00 178.44 178.50 1qvx h LYS 1045N 0.00 0.89 -0.82 1.25 1.79 0.42 0.32 116.57 120.42 1qvx h LYS 1045Ca -0.01 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1qvx h LYS 1045Cb 1.27 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 1qvx h LYS 1045CO 0.04 0.75 0.43 1.98 -1.08 0.00 0.00 179.45 181.57 1qvx h MET 1046N 0.83 1.16 -0.62 3.15 4.05 -1.17 -0.56 114.93 121.77 1qvx h MET 1046Ca 0.20 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1qvx h MET 1046Cb 0.18 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1qvx h MET 1046CO -0.02 0.86 0.35 0.82 0.23 0.00 0.00 176.91 179.15 1qvx h ILE 1047N 1.16 1.19 0.00 1.77 1.08 -1.18 -1.34 117.51 120.19 1qvx h ILE 1047Ca 0.29 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1qvx h ILE 1047Cb 0.06 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1qvx h ILE 1047CO -0.04 0.20 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.32 1qvx h SER 1048N 0.86 0.00 0.26 1.72 0.87 0.12 1.14 113.55 118.52 1qvx h SER 1048Ca 0.22 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.44 1qvx h SER 1048Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1qvx h SER 1048CO -0.04 0.02 -1.72 -0.61 -0.53 0.00 0.00 176.83 173.95 1qvx h GLN 1049N 0.00 0.34 0.00 2.24 4.15 -0.86 -3.30 115.11 117.68 1qvx h GLN 1049Ca -0.00 -0.58 -0.16 0.00 0.77 0.00 0.00 58.65 58.68 1qvx h GLN 1049Cb 0.14 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1qvx h GLN 1049CO 0.00 1.24 -0.95 1.03 -1.93 0.00 0.00 178.83 178.22 1qvx h SER 1050N 0.09 0.00 -4.12 -0.69 0.87 -0.94 -3.40 113.55 105.37 1qvx h SER 1050Ca -0.33 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.60 1qvx h SER 1050Cb 2.07 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 63.62 1qvx h SER 1050CO 0.16 0.70 -0.64 -0.60 -0.53 0.00 0.00 176.83 175.92 1qvx s ARG 1051N -2.85 1.92 0.30 2.24 6.06 0.39 -4.94 118.95 122.07 1qvx s ARG 1051Ca 0.01 -2.60 0.18 0.00 -2.50 0.00 0.00 55.73 50.81 1qvx s ARG 1051Cb 0.08 -3.18 0.12 0.00 0.06 0.00 0.00 34.95 32.04 1qvx s ARG 1051CO 0.79 -1.14 1.42 -1.00 -2.50 0.00 0.00 175.30 172.87 1qvx h PRO 1052N 6.42 0.00 0.00 5.12 0.13 -1.78 -3.37 132.00 138.52 1qvx h PRO 1052Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1qvx h PRO 1052Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1qvx h PRO 1052CO 0.66 0.32 0.00 -2.39 -0.23 0.00 0.00 178.00 176.36