#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 3.62 -3.78 2.89 3.41 -1.26 -4.94 113.62 113.56 1qvx n SER 921 Ca 0.00 -2.96 -0.26 0.00 -0.26 0.00 0.00 58.87 55.38 1qvx n SER 921 Cb 0.00 -0.51 0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qvx n ASN 922 N -0.57 -2.52 -3.29 4.04 4.13 -1.26 -4.93 115.26 110.85 1qvx n ASN 922 Ca 0.20 -0.96 -0.06 0.00 1.68 0.00 0.00 54.58 55.44 1qvx n ASN 922 Cb 0.83 -3.46 0.06 0.00 -1.54 0.00 0.00 39.78 35.67 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 -2.89 -1.84 -0.08 6.41 2.03 -1.26 -3.47 116.55 115.45 1qvx n ASP 923 Ca -0.22 -0.17 0.17 0.00 0.52 0.00 0.00 54.79 55.09 1qvx n ASP 923 Cb 0.65 -0.36 0.26 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.48 0.01 0.14 -0.67 0.00 -1.26 0.52 118.16 116.42 1qvx n LYS 924 Ca 0.03 0.78 -0.14 0.00 0.00 0.00 0.00 58.31 58.98 1qvx n LYS 924 Cb 0.12 -1.98 -0.07 0.00 0.00 0.00 0.00 35.03 33.10 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 0.73 0.00 3.15 -1.51 -1.87 0.79 116.25 117.54 1qvx h VAL 925 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.75 1qvx h VAL 925 Cb 2.13 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1qvx h VAL 925 CO -0.00 0.00 -0.11 0.22 -1.23 0.00 0.00 177.57 176.45 1qvx h TYR 926 N -0.32 0.00 0.02 5.19 3.20 0.04 -3.04 116.97 122.07 1qvx h TYR 926 Ca -0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1qvx h TYR 926 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1qvx h TYR 926 CO -0.09 0.11 -0.01 0.93 -1.64 0.00 0.00 178.16 177.46 1qvx h GLU 927 N 0.00 -0.02 -0.07 1.82 5.08 -1.32 -2.70 114.58 117.36 1qvx h GLU 927 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1qvx h GLU 927 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1qvx h GLU 927 CO 0.01 0.51 -0.58 -0.97 -1.00 0.00 0.00 179.01 176.98 1qvx h ASN 928 N -0.99 0.25 -0.62 1.42 -0.00 -0.95 0.01 115.58 114.70 1qvx h ASN 928 Ca -0.00 -0.14 -0.05 0.00 -0.00 0.00 0.00 56.30 56.11 1qvx h ASN 928 Cb 0.54 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 1qvx h ASN 928 CO 0.00 0.78 0.19 1.62 -0.00 0.00 0.00 177.43 180.02 1qvx h VAL 929 N 0.17 1.24 0.00 2.57 3.04 -1.67 0.29 116.25 121.90 1qvx h VAL 929 Ca -0.00 -0.84 -0.09 0.00 -1.01 0.00 0.00 66.70 64.76 1qvx h VAL 929 Cb 1.07 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1qvx h VAL 929 CO 0.09 0.33 -0.42 0.71 -1.01 0.00 0.00 177.57 177.26 1qvx h THR 930 N 0.95 1.13 -0.21 3.17 1.35 -1.19 -1.80 112.91 116.31 1qvx h THR 930 Ca 0.21 -1.53 0.05 0.00 -0.55 0.00 0.00 66.41 64.58 1qvx h THR 930 Cb 0.28 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1qvx h THR 930 CO -0.01 0.41 0.15 1.23 -0.25 0.00 0.00 175.52 177.05 1qvx h GLY 931 N 1.61 0.09 0.66 5.82 0.00 0.90 0.60 103.07 112.75 1qvx h GLY 931 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1qvx h GLY 931 CO 0.05 0.02 -0.03 -2.00 0.00 0.00 0.00 176.54 174.59 1qvx h LEU 932 N 0.07 0.13 -0.60 3.11 6.46 -0.14 0.11 115.31 124.45 1qvx h LEU 932 Ca 0.10 -0.40 0.04 0.00 -0.12 0.00 0.00 57.88 57.50 1qvx h LEU 932 Cb 0.29 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1qvx h LEU 932 CO -0.01 0.50 0.34 0.58 -0.62 0.00 0.00 178.44 179.23 1qvx h VAL 933 N -0.24 1.00 -0.30 1.05 2.07 -1.23 -0.12 116.25 118.48 1qvx h VAL 933 Ca 0.01 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1qvx h VAL 933 Cb 0.45 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1qvx h VAL 933 CO 0.01 0.12 0.20 0.11 0.02 0.00 0.00 177.57 178.02 1qvx h LYS 934 N 0.64 0.28 0.00 1.57 6.56 0.31 0.11 116.57 126.04 1qvx h LYS 934 Ca 0.26 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.69 1qvx h LYS 934 Cb 0.12 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1qvx h LYS 934 CO -0.15 0.18 -0.65 0.00 -2.06 0.00 0.00 179.45 176.77 1qvx h ALA 935 N 1.83 0.59 0.00 3.86 0.00 0.73 0.57 119.26 126.84 1qvx h ALA 935 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qvx h ALA 935 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qvx h ALA 935 CO -0.03 0.82 -0.22 1.55 0.00 0.00 0.00 179.25 181.37 1qvx n VAL 936 N -3.28 0.26 -0.00 0.00 3.14 -0.21 -2.02 118.33 116.22 1qvx n VAL 936 Ca 0.01 -0.15 -0.16 0.00 -2.96 0.00 0.00 64.34 61.08 1qvx n VAL 936 Cb 0.79 -0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.84 1.55 1.08 -0.32 -2.84 117.51 117.43 1qvx h ILE 937 Ca 0.00 -2.05 0.20 0.00 -0.39 0.00 0.00 64.86 62.62 1qvx h ILE 937 Cb 0.63 2.06 -0.06 0.00 -3.07 0.00 0.00 36.82 36.38 1qvx h ILE 937 CO 0.00 0.64 0.57 -0.33 -0.69 0.00 0.00 178.15 178.34 1qvx h GLU 938 N 0.48 0.32 -0.42 2.37 4.39 -0.49 0.62 114.58 121.84 1qvx h GLU 938 Ca -0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1qvx h GLU 938 Cb 1.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1qvx h GLU 938 CO 0.16 0.21 0.28 1.98 -1.16 0.00 0.00 179.01 180.48 1qvx h MET 939 N 0.33 0.56 -0.00 2.33 1.85 -1.17 0.19 114.93 119.01 1qvx h MET 939 Ca 0.43 -0.03 -0.09 0.00 -0.61 0.00 0.00 59.70 59.40 1qvx h MET 939 Cb 1.16 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 1qvx h MET 939 CO -0.13 0.37 -0.41 0.77 -0.40 0.00 0.00 176.91 177.11 1qvx h SER 940 N 0.57 0.01 0.53 1.39 0.02 -0.85 -2.83 113.55 112.37 1qvx h SER 940 Ca 0.15 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.89 1qvx h SER 940 Cb -0.06 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1qvx h SER 940 CO -0.03 0.42 -0.93 0.28 -1.14 0.00 0.00 176.83 175.42 1qvx h SER 941 N 0.00 0.35 0.05 3.07 0.02 -0.39 -3.11 113.55 113.54 1qvx h SER 941 Ca -0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1qvx h SER 941 Cb 0.73 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1qvx h SER 941 CO 0.05 1.11 -0.02 0.11 -1.14 0.00 0.00 176.83 176.94 1qvx h LYS 942 N 0.14 -0.06 0.00 3.45 1.79 -0.42 -2.71 116.57 118.76 1qvx h LYS 942 Ca -0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1qvx h LYS 942 Cb 1.58 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 1qvx h LYS 942 CO 0.15 -0.04 -0.18 0.97 -1.08 0.00 0.00 179.45 179.27 1qvx h ILE 943 N -0.07 0.50 0.23 1.86 6.09 -1.56 -3.02 117.51 121.54 1qvx h ILE 943 Ca -0.01 -0.92 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1qvx h ILE 943 Cb 0.05 1.64 -0.03 0.00 0.47 0.00 0.00 36.82 38.95 1qvx h ILE 943 CO 0.01 0.17 -0.44 1.56 -3.07 0.00 0.00 178.15 176.39 1qvx h GLN 944 N 0.00 -0.69 -0.74 2.19 4.20 -1.40 -3.23 115.11 115.44 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 0.62 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1qvx h GLN 944 CO 0.02 -0.46 0.00 -0.35 -0.67 0.00 0.00 178.83 177.37 1qvx n PRO 945 N -4.98 2.70 -4.10 1.46 -0.04 -1.23 -4.98 135.00 123.83 1qvx n PRO 945 Ca -0.08 -2.64 -0.08 0.00 -0.04 0.00 0.00 63.50 60.66 1qvx n PRO 945 Cb 0.36 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.02 0.58 0.82 0.55 0.00 -1.14 -5.15 121.76 116.40 1qvx s ALA 946 Ca 0.49 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1qvx s ALA 946 Cb 0.25 0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.74 1qvx s ALA 946 CO 0.33 -0.34 1.15 -1.25 0.00 0.00 0.00 175.76 175.65 1qvx s PRO 947 N -3.82 1.54 0.42 0.00 0.05 -1.26 -4.62 135.00 127.30 1qvx s PRO 947 Ca 0.07 -0.37 0.12 0.00 0.05 0.00 0.00 61.00 60.87 1qvx s PRO 947 Cb 0.07 -2.04 0.65 0.00 0.05 0.00 0.00 34.50 33.23 1qvx s PRO 947 CO -0.09 -1.74 1.26 -1.35 0.05 0.00 0.00 177.00 175.12 1qvx h PRO 948 N -1.04 0.00 0.00 0.56 0.11 -1.98 0.42 132.00 130.07 1qvx h PRO 948 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qvx h PRO 948 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qvx h PRO 948 CO 0.51 0.00 0.26 0.93 -0.21 0.00 0.00 178.00 179.48 1qvx h GLU 949 N 0.00 0.00 0.00 1.05 3.07 -1.99 0.49 114.58 117.19 1qvx h GLU 949 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qvx h GLU 949 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1qvx h GLU 949 CO 0.00 0.00 -1.19 -0.85 -1.40 0.00 0.00 179.01 175.57 1qvx n GLU 950 N -2.69 0.34 -0.28 2.33 -0.00 0.15 -4.09 120.64 116.41 1qvx n GLU 950 Ca -0.02 -0.03 0.08 0.00 -0.00 0.00 0.00 57.16 57.20 1qvx n GLU 950 Cb 0.30 -1.59 0.23 0.00 -0.00 0.00 0.00 31.44 30.38 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 0.49 0.35 -1.84 0.05 -0.18 1.07 116.97 116.91 1qvx h TYR 951 Ca 0.00 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1qvx h TYR 951 Cb 0.77 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1qvx h TYR 951 CO 0.00 -0.02 -0.17 -0.24 -1.05 0.00 0.00 178.16 176.68 1qvx h VAL 952 N 0.38 0.47 -0.72 -2.88 3.04 -1.71 -3.03 116.25 111.79 1qvx h VAL 952 Ca 0.47 -0.71 0.11 0.00 -1.01 0.00 0.00 66.70 65.56 1qvx h VAL 952 Cb 0.82 0.73 -0.05 0.00 -2.01 0.00 0.00 31.29 30.78 1qvx h VAL 952 CO -0.49 0.10 0.48 -0.65 -1.01 0.00 0.00 177.57 176.00 1qvx h PRO 953 N -0.96 0.53 -0.52 4.17 0.11 -1.59 -0.56 132.00 133.19 1qvx h PRO 953 Ca -0.05 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 1qvx h PRO 953 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1qvx h PRO 953 CO 0.08 0.35 0.07 0.00 -0.21 0.00 0.00 178.00 178.29 1qvx h MET 954 N 0.55 0.87 0.00 1.05 -0.00 0.11 0.13 114.93 117.64 1qvx h MET 954 Ca 0.34 -0.24 -0.07 0.00 -0.00 0.00 0.00 59.70 59.73 1qvx h MET 954 Cb 0.58 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 1qvx h MET 954 CO -0.12 0.87 -0.32 0.28 -0.00 0.00 0.00 176.91 177.62 1qvx h VAL 955 N 0.75 1.09 -0.98 -0.10 2.07 -1.35 -2.43 116.25 115.31 1qvx h VAL 955 Ca 0.16 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1qvx h VAL 955 Cb 0.43 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1qvx h VAL 955 CO 0.01 0.31 0.63 0.50 0.02 0.00 0.00 177.57 179.05 1qvx h LYS 956 N 0.00 1.30 -0.57 1.57 3.11 0.60 0.55 116.57 123.13 1qvx h LYS 956 Ca -0.00 -0.09 0.08 0.00 -2.81 0.00 0.00 60.65 57.83 1qvx h LYS 956 Cb 0.62 -0.29 -0.07 0.00 -1.00 0.00 0.00 32.23 31.49 1qvx h LYS 956 CO 0.04 0.87 0.21 0.93 -2.81 0.00 0.00 179.45 178.70 1qvx h GLU 957 N 1.33 0.39 0.00 1.90 4.39 -0.35 -1.09 114.58 121.15 1qvx h GLU 957 Ca 0.36 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.87 1qvx h GLU 957 Cb -0.12 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1qvx h GLU 957 CO -0.07 0.26 -0.76 0.28 -1.16 0.00 0.00 179.01 177.56 1qvx h VAL 958 N 0.40 1.50 -0.29 3.13 2.07 -1.06 -2.45 116.25 119.55 1qvx h VAL 958 Ca 0.28 -2.62 -0.08 0.00 0.82 0.00 0.00 66.70 65.10 1qvx h VAL 958 Cb 0.33 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1qvx h VAL 958 CO -0.28 0.74 -0.13 1.23 0.02 0.00 0.00 177.57 179.15 1qvx h GLY 959 N 2.39 0.65 2.00 2.17 0.00 0.64 -1.28 103.07 109.64 1qvx h GLY 959 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1qvx h GLY 959 CO 0.10 0.52 -0.03 1.41 0.00 0.00 0.00 176.54 178.54 1qvx h LEU 960 N 0.35 0.00 0.26 3.11 4.07 -1.26 -2.34 115.31 119.49 1qvx h LEU 960 Ca 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1qvx h LEU 960 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1qvx h LEU 960 CO 0.04 0.03 -0.13 0.00 -1.08 0.00 0.00 178.44 177.30 1qvx h ALA 961 N 1.97 -0.35 0.00 1.53 0.00 -0.73 0.16 119.26 121.84 1qvx h ALA 961 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 961 Cb 0.25 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1qvx h ALA 961 CO 0.00 -0.62 -0.55 1.25 0.00 0.00 0.00 179.25 179.34 1qvx h LEU 962 N -0.51 0.00 0.45 0.00 7.12 -1.36 -0.22 115.31 120.79 1qvx h LEU 962 Ca -0.04 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 1qvx h LEU 962 Cb 0.38 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 1qvx h LEU 962 CO 0.06 0.55 -0.50 0.03 -0.13 0.00 0.00 178.44 178.45 1qvx h ARG 963 N 0.00 -0.93 -0.87 1.25 3.08 -1.26 0.67 114.38 116.32 1qvx h ARG 963 Ca -0.01 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.21 1qvx h ARG 963 Cb 1.05 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.25 1qvx h ARG 963 CO 0.07 -0.62 0.56 1.79 -1.07 0.00 0.00 179.97 180.71 1qvx h THR 964 N -0.97 0.95 0.00 2.04 1.35 -0.62 -0.27 112.91 115.40 1qvx h THR 964 Ca -0.05 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.47 1qvx h THR 964 Cb 0.85 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 1qvx h THR 964 CO -0.09 0.15 -0.23 0.25 -0.25 0.00 0.00 175.52 175.35 1qvx h LEU 965 N 0.84 0.00 -1.17 3.87 5.85 -0.46 -2.15 115.31 122.10 1qvx h LEU 965 Ca 0.41 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 1qvx h LEU 965 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 965 CO -0.17 0.23 -0.06 0.25 -0.34 0.00 0.00 178.44 178.35 1qvx h LEU 966 N 0.00 0.48 -0.97 2.25 5.85 0.22 0.58 115.31 123.72 1qvx h LEU 966 Ca -0.00 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 966 Cb 0.47 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1qvx h LEU 966 CO 0.03 0.60 0.33 0.00 -0.34 0.00 0.00 178.44 179.06 1qvx h ALA 967 N 1.46 1.19 -0.55 1.25 0.00 -1.28 -1.08 119.26 120.25 1qvx h ALA 967 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1qvx h ALA 967 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1qvx h ALA 967 CO 0.02 0.60 -0.09 1.15 0.00 0.00 0.00 179.25 180.93 1qvx h THR 968 N 1.05 1.27 -0.88 0.00 2.02 -1.04 -2.65 112.91 112.67 1qvx h THR 968 Ca 0.25 -1.24 0.13 0.00 0.77 0.00 0.00 66.41 66.32 1qvx h THR 968 Cb 0.14 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1qvx h THR 968 CO -0.03 0.44 0.57 0.58 0.37 0.00 0.00 175.52 177.45 1qvx h VAL 969 N 0.91 0.87 0.00 3.16 2.07 0.86 0.07 116.25 124.20 1qvx h VAL 969 Ca 0.15 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1qvx h VAL 969 Cb 0.65 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1qvx h VAL 969 CO 0.05 0.13 -0.16 -0.78 0.02 0.00 0.00 177.57 176.82 1qvx h ASP 970 N 0.73 0.00 0.21 0.57 3.58 -0.88 0.72 116.42 121.35 1qvx h ASP 970 Ca 0.43 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1qvx h ASP 970 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1qvx h ASP 970 CO -0.19 0.16 -0.10 -0.33 -2.88 0.00 0.00 179.24 175.90 1qvx h GLU 971 N 0.00 -0.28 0.00 0.28 4.39 -0.81 -3.19 114.58 114.97 1qvx h GLU 971 Ca -0.00 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1qvx h GLU 971 Cb 0.72 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1qvx h GLU 971 CO 0.02 0.02 -0.16 1.03 -1.16 0.00 0.00 179.01 178.76 1qvx h SER 972 N -0.57 0.00 0.10 1.42 0.87 -0.60 -3.23 113.55 111.54 1qvx h SER 972 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1qvx h SER 972 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1qvx h SER 972 CO 0.05 0.16 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.40 1qvx h LEU 973 N 0.00 -0.11 -1.99 2.23 3.38 0.45 0.45 115.31 119.72 1qvx h LEU 973 Ca -0.00 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.01 1qvx h LEU 973 Cb 0.43 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1qvx h LEU 973 CO 0.02 -0.01 0.24 -0.65 0.09 0.00 0.00 178.44 178.13 1qvx h PRO 974 N -0.20 0.01 0.00 1.13 0.11 -1.66 0.19 132.00 131.58 1qvx h PRO 974 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qvx h PRO 974 Cb 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1qvx h PRO 974 CO 0.02 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.10 1qvx n VAL 975 N -4.44 0.62 0.23 3.15 0.31 -0.20 -3.33 118.33 114.67 1qvx n VAL 975 Ca 0.05 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.22 1qvx n VAL 975 Cb 0.42 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 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 -0.50 -1.78 7.52 6.46 0.30 0.33 115.31 127.65 1qvx h LEU 976 Ca 0.00 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1qvx h LEU 976 Cb 0.52 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1qvx h LEU 976 CO 0.00 -0.20 0.33 -0.65 -0.62 0.00 0.00 178.44 177.30 1qvx h PRO 977 N -0.80 0.25 0.42 5.25 0.11 -1.60 -2.18 132.00 133.44 1qvx h PRO 977 Ca -0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1qvx h PRO 977 Cb 0.55 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1qvx h PRO 977 CO 0.10 0.17 -0.20 0.00 -0.21 0.00 0.00 178.00 177.85 1qvx h ALA 978 N 1.75 -0.99 0.00 -0.75 0.00 -1.50 -3.47 119.26 114.29 1qvx h ALA 978 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 978 Cb 0.54 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1qvx h ALA 978 CO -0.04 -0.95 0.00 0.43 0.00 0.00 0.00 179.25 178.68 1qvx n SER 979 N -3.75 0.00 0.29 0.00 7.64 0.83 -4.76 113.62 113.86 1qvx n SER 979 Ca -0.07 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.96 1qvx n SER 979 Cb 0.22 0.00 0.81 0.00 -1.01 0.00 0.00 64.21 64.23 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 -0.02 0.44 2.02 -0.69 -3.12 112.91 111.54 1qvx h THR 980 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 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 0.57 1.12 0.37 0.00 0.00 175.52 177.58 1qvx h HIS 981 N 0.00 0.00 0.05 3.16 2.07 -1.58 0.51 115.15 119.36 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qvx h HIS 981 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1qvx h HIS 981 CO 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1qvx h ARG 982 N 0.00 -0.07 0.05 5.12 3.08 -1.85 -3.35 114.38 117.36 1qvx h ARG 982 Ca 0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 1qvx h ARG 982 Cb 1.14 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.22 1qvx h ARG 982 CO -0.00 0.37 -0.53 1.49 -1.07 0.00 0.00 179.97 180.24 1qvx h GLU 983 N -0.98 0.27 -0.60 0.04 4.57 -0.96 -3.19 114.58 113.73 1qvx h GLU 983 Ca -0.01 -0.36 0.09 0.00 -1.18 0.00 0.00 59.36 57.90 1qvx h GLU 983 Cb 0.47 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 1qvx h GLU 983 CO 0.01 1.10 0.40 0.97 -1.18 0.00 0.00 179.01 180.31 1qvx h ILE 984 N -0.39 0.93 -0.04 2.32 6.09 -0.35 0.10 117.51 126.17 1qvx h ILE 984 Ca -0.08 -0.16 -0.19 0.00 -1.37 0.00 0.00 64.86 63.06 1qvx h ILE 984 Cb 1.32 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.03 1qvx h ILE 984 CO 0.10 0.08 -0.80 1.05 -3.07 0.00 0.00 178.15 175.52 1qvx h GLU 985 N 0.47 0.34 0.63 2.19 -0.00 -1.70 -2.58 114.58 113.93 1qvx h GLU 985 Ca 0.27 -0.32 -0.03 0.00 -0.00 0.00 0.00 59.36 59.29 1qvx h GLU 985 Cb 0.46 0.08 0.01 0.00 -0.00 0.00 0.00 28.75 29.29 1qvx h GLU 985 CO -0.08 0.98 -0.30 0.00 -0.00 0.00 0.00 179.01 179.61 1qvx h MET 986 N 0.22 -0.81 0.09 1.06 -0.00 -0.78 -2.39 114.93 112.32 1qvx h MET 986 Ca -0.04 0.06 -0.25 0.00 -0.00 0.00 0.00 59.70 59.46 1qvx h MET 986 Cb 1.39 0.18 -0.00 0.00 -0.00 0.00 0.00 31.60 33.17 1qvx h MET 986 CO 0.13 -0.53 -1.15 0.00 -0.00 0.00 0.00 176.91 175.36 1qvx h ALA 987 N -0.52 0.19 -0.37 -3.00 0.00 -1.67 -3.04 119.26 110.85 1qvx h ALA 987 Ca -0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 1qvx h ALA 987 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1qvx h ALA 987 CO 0.14 1.03 0.21 0.37 0.00 0.00 0.00 179.25 181.00 1qvx h GLN 988 N 0.06 0.50 -0.13 0.00 4.15 -1.47 1.02 115.11 119.26 1qvx h GLN 988 Ca -0.10 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1qvx h GLN 988 Cb 1.88 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 1qvx h GLN 988 CO 0.18 0.39 -0.05 0.87 -1.93 0.00 0.00 178.83 178.29 1qvx h LYS 989 N 0.48 0.18 -0.01 1.69 1.79 -1.52 -1.96 116.57 117.21 1qvx h LYS 989 Ca 0.13 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 1qvx h LYS 989 Cb 0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1qvx h LYS 989 CO -0.02 0.25 -0.82 1.25 -1.08 0.00 0.00 179.45 179.03 1qvx h LEU 990 N 0.18 0.27 -0.12 2.94 5.85 -0.85 -2.77 115.31 120.80 1qvx h LEU 990 Ca 0.04 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1qvx h LEU 990 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1qvx h LEU 990 CO 0.01 0.98 0.04 -0.07 -0.34 0.00 0.00 178.44 179.06 1qvx h LEU 991 N 0.13 0.17 -1.18 2.25 3.38 0.17 -1.52 115.31 118.71 1qvx h LEU 991 Ca -0.04 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1qvx h LEU 991 Cb 1.42 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 1qvx h LEU 991 CO 0.13 0.31 0.57 -1.13 0.09 0.00 0.00 178.44 178.40 1qvx h ASN 992 N 0.03 0.89 -0.01 -0.43 -0.73 -1.47 0.19 115.58 114.04 1qvx h ASN 992 Ca 0.04 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1qvx h ASN 992 Cb 0.19 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1qvx h ASN 992 CO -0.00 0.59 0.01 -1.28 -0.37 0.00 0.00 177.43 176.38 1qvx h SER 993 N 1.02 0.02 0.00 1.15 0.87 -1.11 -3.05 113.55 112.45 1qvx h SER 993 Ca 0.36 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.69 1qvx h SER 993 Cb 0.13 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1qvx h SER 993 CO -0.12 0.05 -1.85 0.47 -0.53 0.00 0.00 176.83 174.85 1qvx n ASP 994 N -5.06 1.76 -0.09 6.23 9.92 -0.63 -2.94 116.55 125.73 1qvx n ASP 994 Ca -0.07 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.12 1qvx n ASP 994 Cb 0.05 1.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.54 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1qvx h LEU 995 N 0.00 0.09 -0.40 0.64 5.85 -0.82 0.13 115.31 120.80 1qvx h LEU 995 Ca -0.28 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1qvx h LEU 995 Cb 1.56 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1qvx h LEU 995 CO 0.02 0.08 0.20 0.00 -0.34 0.00 0.00 178.44 178.40 1qvx h ALA 996 N 1.22 0.50 -0.55 1.25 0.00 -1.66 0.13 119.26 120.15 1qvx h ALA 996 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1qvx h ALA 996 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1qvx h ALA 996 CO -0.17 -0.15 0.20 0.93 0.00 0.00 0.00 179.25 180.06 1qvx h GLU 997 N 0.41 0.81 -0.20 0.00 4.39 -1.38 -1.45 114.58 117.17 1qvx h GLU 997 Ca 0.17 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1qvx h GLU 997 Cb 0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1qvx h GLU 997 CO -0.11 0.69 -0.25 1.25 -1.16 0.00 0.00 179.01 179.42 1qvx h LEU 998 N 0.80 0.36 -1.29 1.33 5.85 -0.19 0.53 115.31 122.70 1qvx h LEU 998 Ca 0.19 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 998 Cb 0.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1qvx h LEU 998 CO -0.01 0.61 0.27 0.40 -0.34 0.00 0.00 178.44 179.37 1qvx h ILE 999 N 0.32 1.18 -0.00 4.05 2.04 -0.01 0.76 117.51 125.84 1qvx h ILE 999 Ca 0.05 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1qvx h ILE 999 Cb 0.62 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1qvx h ILE 999 CO 0.04 0.21 -0.30 0.59 0.00 0.00 0.00 178.15 178.68 1qvx n ASN 1000N -4.38 0.77 0.04 1.72 3.02 -0.26 -2.07 115.26 114.10 1qvx n ASN 1000Ca 0.05 -0.62 -0.17 0.00 -0.03 0.00 0.00 54.58 53.80 1qvx n ASN 1000Cb 0.12 0.13 -0.14 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.74 0.23 -0.26 3.52 1.79 0.15 0.46 116.57 123.20 1qvx h LYS 1001Ca 0.00 -0.40 -0.17 0.00 -2.18 0.00 0.00 60.65 57.90 1qvx h LYS 1001Cb 0.49 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1qvx h LYS 1001CO 0.00 1.07 -0.51 0.00 -1.08 0.00 0.00 179.45 178.93 1qvx h MET 1002N 0.06 0.74 0.42 3.15 -0.00 -0.98 0.56 114.93 118.88 1qvx h MET 1002Ca -0.30 -0.44 -0.02 0.00 -0.00 0.00 0.00 59.70 58.93 1qvx h MET 1002Cb 2.03 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 33.68 1qvx h MET 1002CO 0.14 1.07 -0.20 -0.22 -0.00 0.00 0.00 176.91 177.69 1qvx h LYS 1003N 0.57 -0.55 -0.27 -0.10 3.64 -1.51 -1.15 116.57 117.21 1qvx h LYS 1003Ca 0.02 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1qvx h LYS 1003Cb 1.08 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1qvx h LYS 1003CO 0.11 -0.36 0.10 1.25 -2.27 0.00 0.00 179.45 178.28 1qvx h LEU 1004N -0.59 0.11 -0.34 5.20 5.85 0.09 0.77 115.31 126.40 1qvx h LEU 1004Ca -0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 1004Cb 0.45 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1qvx h LEU 1004CO 0.10 0.10 0.21 0.00 -0.34 0.00 0.00 178.44 178.50 1qvx h ALA 1005N 1.16 0.43 0.00 1.25 0.00 0.13 0.79 119.26 123.02 1qvx h ALA 1005Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1005Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qvx h ALA 1005CO -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1qvx n GLN 1006N -4.83 0.11 0.08 0.00 10.64 -0.44 -0.39 117.38 122.55 1qvx n GLN 1006Ca -0.01 0.18 -0.04 0.00 -1.83 0.00 0.00 57.00 55.31 1qvx n GLN 1006Cb 0.05 -1.65 -0.07 0.00 -0.86 0.00 0.00 30.24 27.71 1qvx n GLN 1006CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1qvx h GLN 1007N 0.00 0.00 -0.09 2.61 5.75 0.23 -3.29 115.11 120.32 1qvx h GLN 1007Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1qvx h GLN 1007Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1qvx h GLN 1007CO 0.00 0.74 0.00 0.98 -2.65 0.00 0.00 178.83 177.90 1qvx n TYR 1008N -3.25 0.15 -1.42 3.99 9.36 0.10 -5.03 117.16 121.06 1qvx n TYR 1008Ca -0.02 -0.59 -0.49 0.00 3.32 0.00 0.00 57.90 60.12 1qvx n TYR 1008Cb 0.88 -0.07 -0.09 0.00 -0.63 0.00 0.00 39.34 39.42 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 -0.42 0.07 -3.68 2.97 3.14 0.47 -4.52 118.33 116.37 1qvx n VAL 1009Ca 0.06 -0.21 -0.10 0.00 -2.96 0.00 0.00 64.34 61.13 1qvx n VAL 1009Cb 0.38 -1.29 -0.10 0.00 -1.06 0.00 0.00 33.84 31.76 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 7.00 0.45 0.04 1.45 0.00 -1.26 -4.99 119.30 122.00 1qvx s MET 1010Ca 1.16 0.88 -0.37 0.00 0.00 0.00 0.00 55.69 57.36 1qvx s MET 1010Cb -1.00 0.02 -0.17 0.00 0.00 0.00 0.00 34.83 33.69 1qvx s MET 1010CO 0.50 -0.16 1.39 -2.37 0.00 0.00 0.00 175.02 174.38 1qvx n THR 1011N 4.31 0.04 0.00 10.11 5.66 -1.26 0.10 114.28 133.24 1qvx n THR 1011Ca -0.22 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1qvx n THR 1011Cb 0.56 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 1qvx n THR 1011CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1qvx n SER 1012N 2.86 0.00 0.18 1.09 7.64 -1.26 -4.46 113.62 119.67 1qvx n SER 1012Ca 0.19 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.13 1qvx n SER 1012Cb 0.18 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.69 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1qvx h LEU 1013N 0.00 0.00 -1.75 -3.43 3.38 -1.84 -3.07 115.31 108.60 1qvx h LEU 1013Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1qvx h LEU 1013Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1qvx h LEU 1013CO 0.00 0.39 0.43 -0.61 0.09 0.00 0.00 178.44 178.74 1qvx h GLN 1014N 0.00 0.25 -0.45 1.13 -0.00 -0.56 -2.58 115.11 112.90 1qvx h GLN 1014Ca -0.00 -0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.74 1qvx h GLN 1014Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.34 1qvx h GLN 1014CO 0.05 0.17 0.32 0.37 0.00 0.00 0.00 178.83 179.73 1qvx h GLN 1015N 0.26 0.11 -0.01 1.69 4.15 -1.80 0.49 115.11 120.00 1qvx h GLN 1015Ca 0.30 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.75 1qvx h GLN 1015Cb 0.84 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.45 1qvx h GLN 1015CO -0.07 0.07 -0.42 1.49 -1.93 0.00 0.00 178.83 177.98 1qvx h GLU 1016N 0.11 -0.55 0.00 1.69 4.81 -1.70 0.18 114.58 119.12 1qvx h GLU 1016Ca 0.21 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1qvx h GLU 1016Cb 0.69 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1qvx h GLU 1016CO -0.02 -0.37 -0.24 1.88 -0.73 0.00 0.00 179.01 179.53 1qvx h TYR 1017N -0.57 0.00 -0.39 0.92 -1.99 -0.79 -3.15 116.97 111.00 1qvx h TYR 1017Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1qvx h TYR 1017Cb 0.65 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 1qvx h TYR 1017CO -0.43 0.24 0.10 -0.22 -0.00 0.00 0.00 178.16 177.86 1qvx h LYS 1018N 0.00 0.62 0.63 4.88 3.64 0.57 0.32 116.57 127.23 1qvx h LYS 1018Ca -0.00 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1qvx h LYS 1018Cb 0.88 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1qvx h LYS 1018CO 0.03 0.64 -0.33 0.87 -2.27 0.00 0.00 179.45 178.40 1qvx h LYS 1019N 0.49 -0.85 -0.99 1.90 1.57 -0.64 0.20 116.57 118.25 1qvx h LYS 1019Ca 0.12 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.15 1qvx h LYS 1019Cb 0.29 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.69 1qvx h LYS 1019CO -0.00 -0.57 0.59 1.96 -0.57 0.00 0.00 179.45 180.86 1qvx h GLN 1020N -0.88 0.70 0.20 3.15 4.20 -1.51 0.14 115.11 121.11 1qvx h GLN 1020Ca -0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1qvx h GLN 1020Cb 0.69 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1qvx h GLN 1020CO 0.13 0.46 -0.10 1.98 -0.67 0.00 0.00 178.83 180.63 1qvx h MET 1021N 0.72 -0.26 -0.46 1.46 4.05 0.17 -2.15 114.93 118.46 1qvx h MET 1021Ca 0.58 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.99 1qvx h MET 1021Cb 0.92 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 1qvx h MET 1021CO -0.40 -0.08 0.20 1.25 0.23 0.00 0.00 176.91 178.11 1qvx h LEU 1022N -0.39 0.59 -1.25 3.39 5.85 0.14 0.11 115.31 123.75 1qvx h LEU 1022Ca -0.03 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1qvx h LEU 1022Cb 0.30 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1qvx h LEU 1022CO 0.04 0.53 0.01 0.74 -0.34 0.00 0.00 178.44 179.42 1qvx h THR 1023N 0.66 1.19 0.22 1.05 2.02 -0.59 0.21 112.91 117.67 1qvx h THR 1023Ca 0.16 -0.75 -0.32 0.00 0.77 0.00 0.00 66.41 66.27 1qvx h THR 1023Cb 0.12 0.93 0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1qvx h THR 1023CO -0.02 0.26 -1.41 0.00 0.37 0.00 0.00 175.52 174.72 1qvx h ALA 1024N 1.52 -0.10 -0.63 6.16 0.00 -0.61 -2.78 119.26 122.82 1qvx h ALA 1024Ca 0.11 -0.85 0.01 0.00 0.00 0.00 0.00 54.91 54.18 1qvx h ALA 1024Cb 0.31 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 1024CO 0.01 0.74 0.41 0.00 0.00 0.00 0.00 179.25 180.41 1qvx h ALA 1025N 0.25 0.80 -0.65 0.00 0.00 -0.53 -0.68 119.26 118.44 1qvx h ALA 1025Ca -0.23 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1qvx h ALA 1025Cb 2.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1qvx h ALA 1025CO 0.26 0.21 0.43 1.25 0.00 0.00 0.00 179.25 181.40 1qvx h HIS 1026N 0.83 0.79 -0.17 0.00 2.76 -0.63 0.30 115.15 119.02 1qvx h HIS 1026Ca 0.23 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1qvx h HIS 1026Cb -0.08 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.62 1qvx h HIS 1026CO -0.03 0.48 -0.40 0.00 -1.30 0.00 0.00 177.93 176.67 1qvx h ALA 1027N 1.61 0.28 -0.04 5.26 0.00 -1.02 -1.41 119.26 123.94 1qvx h ALA 1027Ca 0.25 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1qvx h ALA 1027Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qvx h ALA 1027CO -0.06 0.38 -0.67 1.25 0.00 0.00 0.00 179.25 180.15 1qvx h LEU 1028N 0.23 0.19 -0.11 0.00 5.85 -0.86 -1.03 115.31 119.57 1qvx h LEU 1028Ca -0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1qvx h LEU 1028Cb 1.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1qvx h LEU 1028CO 0.09 0.81 -0.02 0.00 -0.34 0.00 0.00 178.44 178.98 1qvx h ALA 1029N 1.19 0.08 0.00 1.25 0.00 -0.34 0.35 119.26 121.79 1qvx h ALA 1029Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qvx h ALA 1029Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qvx h ALA 1029CO 0.10 -0.47 0.00 0.28 0.00 0.00 0.00 179.25 179.15 1qvx h VAL 1030N 0.02 0.00 0.03 0.00 2.07 -1.12 -0.78 116.25 116.46 1qvx h VAL 1030Ca 0.05 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 66.94 1qvx h VAL 1030Cb 0.08 1.45 0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1qvx h VAL 1030CO -0.11 0.00 -0.70 -0.78 0.02 0.00 0.00 177.57 176.00 1qvx h ASP 1031N 0.00 0.57 -0.82 0.57 3.58 -0.34 0.15 116.42 120.13 1qvx h ASP 1031Ca 0.00 -0.79 0.06 0.00 0.42 0.00 0.00 57.03 56.72 1qvx h ASP 1031Cb 0.46 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 1qvx h ASP 1031CO 0.00 1.29 0.50 0.00 -2.88 0.00 0.00 179.24 178.16 1qvx h ALA 1032N 0.28 1.13 -0.30 -0.78 0.00 0.04 -0.76 119.26 118.87 1qvx h ALA 1032Ca -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1qvx h ALA 1032Cb 1.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1qvx h ALA 1032CO 0.14 0.24 -0.02 0.87 0.00 0.00 0.00 179.25 180.47 1qvx h LYS 1033N 0.92 0.46 -0.34 0.00 1.79 -1.01 0.12 116.57 118.51 1qvx h LYS 1033Ca 0.36 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.66 1qvx h LYS 1033Cb 0.17 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1qvx h LYS 1033CO -0.17 0.51 -0.08 -0.97 -1.08 0.00 0.00 179.45 177.66 1qvx h ASN 1034N 0.45 0.66 1.22 0.86 -1.24 0.53 -2.87 115.58 115.19 1qvx h ASN 1034Ca 0.10 -0.36 -0.07 0.00 0.71 0.00 0.00 56.30 56.67 1qvx h ASN 1034Cb 0.33 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1qvx h ASN 1034CO 0.01 0.87 -0.34 0.25 -1.29 0.00 0.00 177.43 176.93 1qvx h LEU 1035N 0.44 0.00 -1.45 0.34 5.85 -0.85 -0.54 115.31 119.11 1qvx h LEU 1035Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1qvx h LEU 1035Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1qvx h LEU 1035CO 0.03 0.34 -0.03 0.25 -0.34 0.00 0.00 178.44 178.70 1qvx h LEU 1036N 0.00 0.30 0.12 2.25 6.46 -0.56 0.39 115.31 124.26 1qvx h LEU 1036Ca -0.00 -0.05 -0.33 0.00 -0.12 0.00 0.00 57.88 57.38 1qvx h LEU 1036Cb 1.05 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 1qvx h LEU 1036CO 0.04 0.38 -1.71 -0.78 -0.62 0.00 0.00 178.44 175.75 1qvx h ASP 1037N 0.31 0.39 0.20 1.25 3.58 -1.31 -2.88 116.42 117.97 1qvx h ASP 1037Ca 0.07 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1qvx h ASP 1037Cb 0.26 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1qvx h ASP 1037CO 0.01 1.56 -0.36 0.58 -2.88 0.00 0.00 179.24 178.15 1qvx h VAL 1038N 0.07 0.00 0.00 2.25 2.07 -0.18 0.11 116.25 120.57 1qvx h VAL 1038Ca -0.31 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 1qvx h VAL 1038Cb 2.04 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1qvx h VAL 1038CO 0.14 0.00 -0.98 0.16 0.02 0.00 0.00 177.57 176.91 1qvx h ILE 1039N -0.60 1.37 -0.51 4.57 3.07 -0.45 0.67 117.51 125.63 1qvx h ILE 1039Ca -0.02 -3.00 0.10 0.00 1.55 0.00 0.00 64.86 63.48 1qvx h ILE 1039Cb 0.56 2.67 -0.08 0.00 -0.27 0.00 0.00 36.82 39.70 1qvx h ILE 1039CO -0.13 0.78 0.01 -0.78 -1.05 0.00 0.00 178.15 176.98 1qvx h ASP 1040N 0.00 -0.20 0.83 2.16 3.58 -1.54 -0.68 116.42 120.57 1qvx h ASP 1040Ca -0.04 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 1qvx h ASP 1040Cb 1.70 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 1qvx h ASP 1040CO 0.11 -0.07 -0.35 1.56 -2.88 0.00 0.00 179.24 177.61 1qvx h GLN 1041N 0.13 0.00 -0.06 0.28 4.20 -0.24 -3.03 115.11 116.38 1qvx h GLN 1041Ca 0.26 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1qvx h GLN 1041Cb 0.39 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1qvx h GLN 1041CO -0.42 0.35 -0.30 0.00 -0.67 0.00 0.00 178.83 177.80 1qvx h ALA 1042N 1.65 -0.37 -0.63 3.87 0.00 0.18 1.63 119.26 125.60 1qvx h ALA 1042Ca -0.00 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1qvx h ALA 1042Cb 0.86 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1qvx h ALA 1042CO 0.05 -0.79 0.42 0.00 0.00 0.00 0.00 179.25 178.93 1qvx h ARG 1043N -0.41 0.30 -0.15 0.00 -0.00 -1.27 0.15 114.38 113.01 1qvx h ARG 1043Ca 0.08 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.98 59.35 1qvx h ARG 1043Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.43 1qvx h ARG 1043CO -0.29 0.20 -0.67 1.25 0.00 0.00 0.00 179.97 180.45 1qvx h LEU 1044N 0.31 0.68 -1.66 3.04 5.85 -0.75 -2.28 115.31 120.51 1qvx h LEU 1044Ca 0.30 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 1044Cb 0.74 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1qvx h LEU 1044CO -0.07 1.17 0.28 0.11 -0.34 0.00 0.00 178.44 179.59 1qvx h LYS 1045N 0.42 0.43 -0.13 1.25 1.79 0.48 0.21 116.57 121.02 1qvx h LYS 1045Ca -0.02 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 1qvx h LYS 1045Cb 1.26 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1qvx h LYS 1045CO 0.13 0.29 -0.72 1.98 -1.08 0.00 0.00 179.45 180.05 1qvx h MET 1046N 0.44 0.59 -0.40 3.15 4.05 -0.61 -0.29 114.93 121.86 1qvx h MET 1046Ca 0.17 -0.46 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1qvx h MET 1046Cb 0.13 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1qvx h MET 1046CO -0.04 1.08 0.23 0.82 0.23 0.00 0.00 176.91 179.23 1qvx h ILE 1047N 0.41 1.14 0.65 1.77 1.08 -0.67 0.13 117.51 122.01 1qvx h ILE 1047Ca -0.03 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1qvx h ILE 1047Cb 1.31 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1qvx h ILE 1047CO 0.14 0.14 -0.49 -1.28 -0.69 0.00 0.00 178.15 175.96 1qvx h SER 1048N 0.52 -1.30 0.00 1.72 0.87 -0.20 -2.50 113.55 112.65 1qvx h SER 1048Ca 0.14 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1qvx h SER 1048Cb 0.02 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1qvx h SER 1048CO -0.02 -0.71 -0.63 -0.61 -0.53 0.00 0.00 176.83 174.32 1qvx h GLN 1049N -1.10 0.00 -0.33 2.24 5.75 -1.12 -3.40 115.11 117.15 1qvx h GLN 1049Ca -0.08 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1qvx h GLN 1049Cb 0.91 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1qvx h GLN 1049CO 0.02 0.45 -0.04 1.03 -2.65 0.00 0.00 178.83 177.64 1qvx h SER 1050N -1.00 0.60 -4.55 -0.69 0.87 -1.19 -3.49 113.55 104.10 1qvx h SER 1050Ca -0.12 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1qvx h SER 1050Cb 0.76 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1qvx h SER 1050CO -0.07 0.80 -1.03 0.54 -0.53 0.00 0.00 176.83 176.54 1qvx n ARG 1051N -4.49 -4.31 -0.38 2.24 1.74 -0.56 -4.81 116.66 106.10 1qvx n ARG 1051Ca -0.02 3.23 -0.03 0.00 -0.77 0.00 0.00 57.85 60.26 1qvx n ARG 1051Cb 0.30 -4.26 0.01 0.00 -1.02 0.00 0.00 32.46 27.49 1qvx n ARG 1051CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qvx n PRO 1052N 1.54 1.16 0.00 5.56 -0.04 -1.26 -5.05 135.00 136.91 1qvx n PRO 1052Ca -0.13 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1qvx n PRO 1052Cb 0.19 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04