#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 2.94 -3.70 6.15 2.88 -1.26 -4.93 113.62 115.71 1qvx n SER 921 Ca 0.00 -3.80 -0.27 0.00 -1.33 0.00 0.00 58.87 53.47 1qvx n SER 921 Cb 0.00 -0.62 0.03 0.00 -0.75 0.00 0.00 64.21 62.87 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qvx n ASN 922 N -1.08 -3.78 -3.18 -3.46 4.13 -1.26 -4.93 115.26 101.70 1qvx n ASN 922 Ca 0.36 -0.95 -0.04 0.00 1.68 0.00 0.00 54.58 55.63 1qvx n ASN 922 Cb 1.00 -3.59 0.03 0.00 -1.54 0.00 0.00 39.78 35.68 1qvx n ASN 922 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qvx n ASP 923 N -2.84 -1.39 0.24 6.41 9.92 -1.26 -3.46 116.55 124.17 1qvx n ASP 923 Ca -0.17 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 1qvx n ASP 923 Cb 0.63 -0.22 0.01 0.00 -0.64 0.00 0.00 41.12 40.90 1qvx n ASP 923 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1qvx h LYS 924 N 0.00 0.00 0.27 -1.24 3.11 -1.97 0.34 116.57 117.08 1qvx h LYS 924 Ca -0.05 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1qvx h LYS 924 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1qvx h LYS 924 CO 0.03 0.00 -0.13 -0.39 -2.81 0.00 0.00 179.45 176.15 1qvx h VAL 925 N 0.00 0.78 0.00 2.00 -1.51 -1.87 0.03 116.25 115.68 1qvx h VAL 925 Ca 0.00 -0.35 -0.18 0.00 -1.23 0.00 0.00 66.70 64.94 1qvx h VAL 925 Cb 1.71 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.82 1qvx h VAL 925 CO 0.00 0.07 -0.87 0.22 -1.23 0.00 0.00 177.57 175.76 1qvx h TYR 926 N -0.54 0.00 0.89 5.19 3.20 -0.36 -3.12 116.97 122.23 1qvx h TYR 926 Ca -0.04 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1qvx h TYR 926 Cb 0.40 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.68 1qvx h TYR 926 CO -0.01 0.87 -0.43 0.93 -1.64 0.00 0.00 178.16 177.88 1qvx h GLU 927 N 0.00 -1.16 -0.42 1.82 5.08 -1.45 -2.72 114.58 115.74 1qvx h GLU 927 Ca -0.01 0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1qvx h GLU 927 Cb 1.55 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1qvx h GLU 927 CO 0.11 -0.77 -0.15 -0.97 -1.00 0.00 0.00 179.01 176.23 1qvx h ASN 928 N -1.25 0.86 -0.78 1.42 -0.73 -1.08 -1.49 115.58 112.53 1qvx h ASN 928 Ca -0.12 -0.38 0.01 0.00 1.87 0.00 0.00 56.30 57.67 1qvx h ASN 928 Cb 0.92 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.24 1qvx h ASN 928 CO 0.20 1.05 0.51 1.62 -0.37 0.00 0.00 177.43 180.45 1qvx h VAL 929 N 0.67 1.20 -0.05 2.57 3.04 -1.64 0.14 116.25 122.18 1qvx h VAL 929 Ca 0.10 -0.38 -0.10 0.00 -1.01 0.00 0.00 66.70 65.32 1qvx h VAL 929 Cb 0.70 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 1qvx h VAL 929 CO 0.05 0.20 -0.41 0.74 -1.01 0.00 0.00 177.57 177.14 1qvx h THR 930 N 1.06 1.30 -0.33 3.17 2.02 -1.17 -2.05 112.91 116.91 1qvx h THR 930 Ca 0.29 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 66.04 1qvx h THR 930 Cb -0.11 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1qvx h THR 930 CO -0.06 0.43 0.23 1.23 0.37 0.00 0.00 175.52 177.71 1qvx h GLY 931 N 1.24 0.33 0.97 2.16 0.00 0.30 -0.76 103.07 107.30 1qvx h GLY 931 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1qvx h GLY 931 CO 0.06 0.09 0.23 -2.00 0.00 0.00 0.00 176.54 174.92 1qvx h LEU 932 N 0.28 0.51 -0.75 3.11 7.12 -0.49 0.33 115.31 125.43 1qvx h LEU 932 Ca 0.14 -0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.09 1qvx h LEU 932 Cb 0.22 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.17 1qvx h LEU 932 CO -0.03 0.45 0.48 0.58 -0.13 0.00 0.00 178.44 179.79 1qvx h VAL 933 N 0.53 1.12 0.00 1.05 2.07 -1.17 -0.89 116.25 118.97 1qvx h VAL 933 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1qvx h VAL 933 Cb 0.05 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1qvx h VAL 933 CO -0.02 0.17 -0.06 0.11 0.02 0.00 0.00 177.57 177.79 1qvx h LYS 934 N 0.94 0.00 0.03 1.57 1.79 -0.62 0.85 116.57 121.14 1qvx h LYS 934 Ca 0.30 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.55 1qvx h LYS 934 Cb -0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1qvx h LYS 934 CO -0.10 0.06 -1.03 0.00 -1.08 0.00 0.00 179.45 177.30 1qvx h ALA 935 N 1.94 0.33 0.00 3.86 0.00 0.41 0.18 119.26 125.99 1qvx h ALA 935 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1qvx h ALA 935 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qvx h ALA 935 CO 0.01 1.12 -0.21 1.55 0.00 0.00 0.00 179.25 181.72 1qvx n VAL 936 N -3.46 0.42 -0.11 0.00 3.14 -0.72 -1.07 118.33 116.52 1qvx n VAL 936 Ca -0.03 -0.23 -0.12 0.00 -2.96 0.00 0.00 64.34 61.01 1qvx n VAL 936 Cb 0.93 -0.39 -0.03 0.00 -1.06 0.00 0.00 33.84 33.29 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 -0.64 1.55 1.08 -0.59 -0.97 117.51 119.22 1qvx h ILE 937 Ca 0.00 -1.26 0.09 0.00 -0.39 0.00 0.00 64.86 63.31 1qvx h ILE 937 Cb 0.70 1.38 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 1qvx h ILE 937 CO 0.00 0.41 0.27 -0.33 -0.69 0.00 0.00 178.15 177.81 1qvx h GLU 938 N 0.48 0.45 -0.82 2.37 4.39 -0.43 0.40 114.58 121.43 1qvx h GLU 938 Ca 0.08 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1qvx h GLU 938 Cb 0.68 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 1qvx h GLU 938 CO 0.05 0.30 0.51 1.98 -1.16 0.00 0.00 179.01 180.68 1qvx h MET 939 N 0.47 0.91 -0.02 2.33 4.05 -0.90 0.51 114.93 122.28 1qvx h MET 939 Ca 0.32 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.59 1qvx h MET 939 Cb 0.38 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1qvx h MET 939 CO -0.30 0.61 -0.44 0.77 0.23 0.00 0.00 176.91 177.77 1qvx h SER 940 N 0.94 0.05 0.11 1.39 0.02 -0.25 -1.37 113.55 114.44 1qvx h SER 940 Ca 0.35 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 61.06 1qvx h SER 940 Cb 0.12 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.67 1qvx h SER 940 CO -0.15 0.49 -0.90 0.28 -1.14 0.00 0.00 176.83 175.41 1qvx h SER 941 N 0.04 0.61 -0.84 3.07 0.02 0.30 -2.98 113.55 113.77 1qvx h SER 941 Ca 0.00 -0.87 0.08 0.00 -0.84 0.00 0.00 61.79 60.16 1qvx h SER 941 Cb 0.81 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 1qvx h SER 941 CO 0.06 1.42 0.50 0.11 -1.14 0.00 0.00 176.83 177.78 1qvx h LYS 942 N -0.12 0.85 0.00 3.45 1.79 0.08 -1.59 116.57 121.03 1qvx h LYS 942 Ca -0.14 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1qvx h LYS 942 Cb 1.65 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.10 1qvx h LYS 942 CO 0.17 0.56 -0.23 0.97 -1.08 0.00 0.00 179.45 179.85 1qvx h ILE 943 N 0.88 0.49 0.28 1.86 2.10 -1.27 -2.76 117.51 119.08 1qvx h ILE 943 Ca 0.39 -1.24 -0.00 0.00 1.08 0.00 0.00 64.86 65.08 1qvx h ILE 943 Cb 0.27 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.86 1qvx h ILE 943 CO -0.21 0.22 -0.38 1.56 -1.08 0.00 0.00 178.15 178.26 1qvx h GLN 944 N 0.00 -0.65 -0.02 2.19 1.08 -1.12 -3.30 115.11 113.29 1qvx h GLN 944 Ca -0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1qvx h GLN 944 Cb 0.86 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1qvx h GLN 944 CO 0.03 -0.44 -0.40 -0.35 -0.95 0.00 0.00 178.83 176.72 1qvx n PRO 945 N -4.66 1.40 -4.25 1.46 -0.04 -1.25 -4.99 135.00 122.66 1qvx n PRO 945 Ca -0.08 -1.15 -0.29 0.00 -0.04 0.00 0.00 63.50 61.93 1qvx n PRO 945 Cb 0.33 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.40 2.86 0.93 0.55 0.00 -1.04 -5.14 121.76 117.52 1qvx s ALA 946 Ca 0.20 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1qvx s ALA 946 Cb 0.18 -0.80 0.18 0.00 0.00 0.00 0.00 23.12 22.68 1qvx s ALA 946 CO 0.53 0.62 1.10 -2.30 0.00 0.00 0.00 175.76 175.71 1qvx n PRO 947 N 0.70 -0.88 -0.27 0.00 -0.02 -1.26 -4.67 135.00 128.60 1qvx n PRO 947 Ca -0.14 -1.93 0.26 0.00 -2.02 0.00 0.00 63.50 59.66 1qvx n PRO 947 Cb 0.53 -1.06 0.61 0.00 -0.02 0.00 0.00 33.50 33.56 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qvx h PRO 948 N 0.00 0.21 -0.52 0.52 0.11 -1.98 0.33 132.00 130.67 1qvx h PRO 948 Ca -0.36 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.89 1qvx h PRO 948 Cb 1.04 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1qvx h PRO 948 CO 0.28 0.14 0.38 0.93 -0.21 0.00 0.00 178.00 179.52 1qvx h GLU 949 N 0.22 0.00 -0.01 1.05 5.08 -1.92 0.44 114.58 119.43 1qvx h GLU 949 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1qvx h GLU 949 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1qvx h GLU 949 CO -0.14 0.00 -0.43 0.39 -1.00 0.00 0.00 179.01 177.83 1qvx n GLU 950 N -4.34 1.09 -0.34 2.33 -0.58 0.11 -4.03 120.64 114.88 1qvx n GLU 950 Ca 0.10 -0.85 0.03 0.00 -0.42 0.00 0.00 57.16 56.02 1qvx n GLU 950 Cb 0.61 -1.48 0.18 0.00 -0.57 0.00 0.00 31.44 30.17 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 2.07 1.09 0.01 -0.32 -1.99 0.26 0.18 116.97 118.26 1qvx h TYR 951 Ca 0.00 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 1qvx h TYR 951 Cb 0.69 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1qvx h TYR 951 CO 0.00 0.51 -0.17 -0.24 -0.00 0.00 0.00 178.16 178.27 1qvx h VAL 952 N 1.03 1.63 -0.57 -2.88 3.04 -1.69 -3.10 116.25 113.71 1qvx h VAL 952 Ca 0.43 -2.07 0.16 0.00 -1.01 0.00 0.00 66.70 64.22 1qvx h VAL 952 Cb 0.27 2.99 -0.02 0.00 -2.01 0.00 0.00 31.29 32.51 1qvx h VAL 952 CO -0.20 0.55 0.50 -0.65 -1.01 0.00 0.00 177.57 176.75 1qvx h PRO 953 N -0.69 0.00 -0.05 4.17 0.11 -1.66 0.40 132.00 134.28 1qvx h PRO 953 Ca -0.02 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 1qvx h PRO 953 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qvx h PRO 953 CO 0.03 0.00 -0.78 0.00 -0.21 0.00 0.00 178.00 177.04 1qvx h MET 954 N 0.00 0.38 0.00 1.05 -0.00 -0.70 -2.35 114.93 113.31 1qvx h MET 954 Ca 0.27 -0.34 -0.04 0.00 -0.00 0.00 0.00 59.70 59.59 1qvx h MET 954 Cb 1.26 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.93 1qvx h MET 954 CO -0.00 0.99 -0.20 -0.24 -0.00 0.00 0.00 176.91 177.45 1qvx h VAL 955 N 0.25 0.82 -0.73 -0.10 3.04 -0.90 -2.00 116.25 116.63 1qvx h VAL 955 Ca -0.04 -0.79 0.11 0.00 -1.01 0.00 0.00 66.70 64.97 1qvx h VAL 955 Cb 1.38 1.47 -0.08 0.00 -2.01 0.00 0.00 31.29 32.05 1qvx h VAL 955 CO 0.13 0.20 0.33 0.50 -1.01 0.00 0.00 177.57 177.72 1qvx h LYS 956 N 0.00 0.51 -0.41 4.17 3.64 -0.65 0.34 116.57 124.17 1qvx h LYS 956 Ca -0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1qvx h LYS 956 Cb 0.45 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1qvx h LYS 956 CO 0.03 0.34 0.11 0.93 -2.27 0.00 0.00 179.45 178.58 1qvx h GLU 957 N 0.53 0.24 -0.00 1.90 4.39 -1.24 -0.59 114.58 119.80 1qvx h GLU 957 Ca 0.38 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.89 1qvx h GLU 957 Cb 0.48 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1qvx h GLU 957 CO -0.33 0.16 -0.78 -0.39 -1.16 0.00 0.00 179.01 176.51 1qvx h VAL 958 N 0.25 1.53 -0.08 3.13 -1.51 -1.32 -2.80 116.25 115.45 1qvx h VAL 958 Ca 0.19 -2.59 -0.11 0.00 -1.23 0.00 0.00 66.70 62.97 1qvx h VAL 958 Cb 0.22 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1qvx h VAL 958 CO -0.23 0.74 -0.36 1.23 -1.23 0.00 0.00 177.57 177.72 1qvx h GLY 959 N 2.15 0.42 2.00 5.19 0.00 0.31 -1.66 103.07 111.48 1qvx h GLY 959 Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1qvx h GLY 959 CO 0.11 0.52 -0.21 1.41 0.00 0.00 0.00 176.54 178.38 1qvx h LEU 960 N -0.09 0.00 0.26 3.11 4.07 -1.25 -2.22 115.31 119.19 1qvx h LEU 960 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1qvx h LEU 960 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1qvx h LEU 960 CO 0.08 0.21 -0.13 0.00 -1.08 0.00 0.00 178.44 177.52 1qvx h ALA 961 N 1.79 -0.35 -0.07 1.53 0.00 -1.19 0.33 119.26 121.30 1qvx h ALA 961 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 961 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1qvx h ALA 961 CO 0.03 -0.66 -0.29 1.25 0.00 0.00 0.00 179.25 179.58 1qvx h LEU 962 N -0.43 0.13 -0.14 0.00 7.12 -1.14 0.63 115.31 121.48 1qvx h LEU 962 Ca -0.04 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1qvx h LEU 962 Cb 0.33 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1qvx h LEU 962 CO 0.06 0.43 0.03 -0.09 -0.13 0.00 0.00 178.44 178.74 1qvx h ARG 963 N 0.12 0.22 -0.87 1.25 2.43 -1.22 0.59 114.38 116.90 1qvx h ARG 963 Ca 0.02 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1qvx h ARG 963 Cb 0.58 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1qvx h ARG 963 CO 0.04 0.38 0.57 1.15 -1.51 0.00 0.00 179.97 180.61 1qvx h THR 964 N 0.02 1.12 -0.87 0.20 2.02 0.11 -1.55 112.91 113.96 1qvx h THR 964 Ca 0.04 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1qvx h THR 964 Cb 0.26 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1qvx h THR 964 CO 0.00 0.19 0.50 0.25 0.37 0.00 0.00 175.52 176.83 1qvx h LEU 965 N 1.06 1.07 -1.71 2.58 6.46 0.77 -0.94 115.31 124.60 1qvx h LEU 965 Ca 0.36 -0.08 0.21 0.00 -0.12 0.00 0.00 57.88 58.24 1qvx h LEU 965 Cb 0.08 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.69 1qvx h LEU 965 CO -0.12 0.85 0.58 0.25 -0.62 0.00 0.00 178.44 179.38 1qvx h LEU 966 N 1.22 0.24 -0.54 2.25 5.85 0.12 0.41 115.31 124.86 1qvx h LEU 966 Ca 0.31 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1qvx h LEU 966 Cb -0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1qvx h LEU 966 CO -0.05 0.10 0.25 0.00 -0.34 0.00 0.00 178.44 178.40 1qvx h ALA 967 N 1.61 0.69 -0.74 1.25 0.00 -0.98 -1.60 119.26 119.49 1qvx h ALA 967 Ca 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1qvx h ALA 967 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1qvx h ALA 967 CO -0.10 0.26 0.34 1.15 0.00 0.00 0.00 179.25 180.90 1qvx h THR 968 N 0.72 1.24 -0.57 0.00 2.02 -0.57 -1.39 112.91 114.37 1qvx h THR 968 Ca 0.18 -0.69 0.17 0.00 0.77 0.00 0.00 66.41 66.84 1qvx h THR 968 Cb 0.13 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1qvx h THR 968 CO -0.02 0.29 0.42 0.58 0.37 0.00 0.00 175.52 177.16 1qvx h VAL 969 N 1.06 0.67 0.00 3.16 2.07 0.40 0.22 116.25 123.84 1qvx h VAL 969 Ca 0.26 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 1qvx h VAL 969 Cb 0.13 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1qvx h VAL 969 CO -0.03 0.00 -0.45 -0.78 0.02 0.00 0.00 177.57 176.33 1qvx h ASP 970 N 0.00 0.00 0.13 0.57 3.58 -0.33 0.37 116.42 120.74 1qvx h ASP 970 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1qvx h ASP 970 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1qvx h ASP 970 CO -0.00 0.45 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.41 1qvx h GLU 971 N 0.00 -0.17 0.00 0.28 4.39 -0.44 -2.83 114.58 115.81 1qvx h GLU 971 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1qvx h GLU 971 Cb 1.14 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1qvx h GLU 971 CO 0.06 0.16 -0.05 0.66 -1.16 0.00 0.00 179.01 178.69 1qvx h SER 972 N -0.52 0.00 0.25 1.42 4.64 -1.13 -3.20 113.55 115.01 1qvx h SER 972 Ca -0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1qvx h SER 972 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1qvx h SER 972 CO 0.03 0.05 -0.39 0.25 -0.87 0.00 0.00 176.83 175.89 1qvx h LEU 973 N 0.00 -1.11 -2.32 5.97 5.85 0.00 0.43 115.31 124.13 1qvx h LEU 973 Ca -0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 973 Cb 0.22 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1qvx h LEU 973 CO 0.01 -0.50 -0.01 1.55 -0.34 0.00 0.00 178.44 179.14 1qvx h PRO 974 N -0.71 0.00 0.00 5.25 0.13 -1.63 0.05 132.00 135.08 1qvx h PRO 974 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qvx h PRO 974 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1qvx h PRO 974 CO -0.15 0.01 0.00 0.28 -0.23 0.00 0.00 178.00 177.92 1qvx h VAL 975 N 0.00 0.00 -0.04 1.56 2.07 -1.02 -3.14 116.25 115.68 1qvx h VAL 975 Ca -0.00 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1qvx h VAL 975 Cb 0.22 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1qvx h VAL 975 CO 0.00 0.00 -0.53 0.17 0.02 0.00 0.00 177.57 177.23 1qvx h LEU 976 N 0.00 0.53 -1.81 2.57 8.10 0.18 0.39 115.31 125.28 1qvx h LEU 976 Ca 0.00 -0.72 -0.03 0.00 0.11 0.00 0.00 57.88 57.24 1qvx h LEU 976 Cb 0.71 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1qvx h LEU 976 CO 0.00 1.17 -0.15 1.55 -4.11 0.00 0.00 178.44 176.90 1qvx h PRO 977 N -0.06 0.00 0.73 0.17 0.13 -1.64 -2.76 132.00 128.56 1qvx h PRO 977 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1qvx h PRO 977 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1qvx h PRO 977 CO 0.11 0.15 -0.35 0.00 -0.23 0.00 0.00 178.00 177.67 1qvx h ALA 978 N 1.85 -0.99 0.00 -0.56 0.00 -1.46 -3.48 119.26 114.63 1qvx h ALA 978 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qvx h ALA 978 Cb 0.33 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qvx h ALA 978 CO 0.02 -0.92 0.00 0.43 0.00 0.00 0.00 179.25 178.78 1qvx n SER 979 N -5.43 0.00 0.15 0.00 7.64 0.12 -4.91 113.62 111.19 1qvx n SER 979 Ca -0.12 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.84 1qvx n SER 979 Cb 0.39 0.43 0.44 0.00 -1.01 0.00 0.00 64.21 64.47 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 -2.38 0.94 0.19 0.44 5.66 -0.02 -3.67 114.28 115.44 1qvx n THR 980 Ca 0.00 0.72 0.17 0.00 -3.05 0.00 0.00 64.05 61.89 1qvx n THR 980 Cb 0.00 -1.72 0.70 0.00 -1.55 0.00 0.00 70.33 67.76 1qvx n THR 980 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 175.07 173.14 1qvx h HIS 981 N 0.00 0.00 0.01 1.09 -0.00 -1.71 0.52 115.15 115.06 1qvx h HIS 981 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qvx h HIS 981 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1qvx h HIS 981 CO 0.00 0.00 -0.00 -0.09 -0.00 0.00 0.00 177.93 177.84 1qvx h ARG 982 N 0.00 -0.01 -0.12 5.12 9.65 -1.87 -3.18 114.38 123.97 1qvx h ARG 982 Ca 0.12 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.84 1qvx h ARG 982 Cb 1.10 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.69 1qvx h ARG 982 CO -0.00 0.82 -0.56 1.49 2.80 0.00 0.00 179.97 184.52 1qvx h GLU 983 N -0.95 0.58 -0.99 0.20 4.57 -1.42 -3.08 114.58 113.50 1qvx h GLU 983 Ca -0.00 -0.47 0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1qvx h GLU 983 Cb 0.83 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.44 1qvx h GLU 983 CO 0.00 1.10 0.63 0.97 -1.18 0.00 0.00 179.01 180.53 1qvx h ILE 984 N 0.22 0.99 -0.02 2.32 -0.00 -0.19 -0.06 117.51 120.77 1qvx h ILE 984 Ca -0.04 -0.36 -0.15 0.00 -0.00 0.00 0.00 64.86 64.31 1qvx h ILE 984 Cb 1.20 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.82 37.84 1qvx h ILE 984 CO 0.12 0.19 -0.68 -0.33 -0.00 0.00 0.00 178.15 177.45 1qvx h GLU 985 N 1.06 0.10 -0.07 2.19 5.08 -1.60 0.16 114.58 121.50 1qvx h GLU 985 Ca 0.46 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1qvx h GLU 985 Cb 0.34 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1qvx h GLU 985 CO -0.23 0.74 0.02 0.00 -1.00 0.00 0.00 179.01 178.55 1qvx h MET 986 N 0.07 0.10 0.19 2.33 -0.00 -0.91 -1.13 114.93 115.58 1qvx h MET 986 Ca -0.01 -0.02 -0.31 0.00 -0.00 0.00 0.00 59.70 59.35 1qvx h MET 986 Cb 1.21 -0.02 0.03 0.00 -0.00 0.00 0.00 31.60 32.82 1qvx h MET 986 CO 0.10 0.26 -1.36 0.00 -0.00 0.00 0.00 176.91 175.91 1qvx h ALA 987 N 0.83 -0.06 -0.31 -3.00 0.00 -1.52 -2.85 119.26 112.35 1qvx h ALA 987 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 54.91 54.13 1qvx h ALA 987 Cb 0.20 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1qvx h ALA 987 CO -0.00 0.73 0.14 0.37 0.00 0.00 0.00 179.25 180.49 1qvx h GLN 988 N 0.18 0.29 -0.56 0.00 5.75 -0.96 0.75 115.11 120.57 1qvx h GLN 988 Ca -0.21 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 1qvx h GLN 988 Cb 2.05 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 30.51 1qvx h GLN 988 CO 0.25 0.19 0.32 -0.22 -2.65 0.00 0.00 178.83 176.72 1qvx h LYS 989 N 0.30 0.76 -0.24 1.69 3.64 -1.31 -2.59 116.57 118.82 1qvx h LYS 989 Ca 0.13 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1qvx h LYS 989 Cb 0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1qvx h LYS 989 CO -0.11 0.54 -0.11 1.25 -2.27 0.00 0.00 179.45 178.75 1qvx h LEU 990 N 0.77 0.52 0.49 5.20 5.85 -0.80 -3.05 115.31 124.30 1qvx h LEU 990 Ca 0.20 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1qvx h LEU 990 Cb -0.01 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1qvx h LEU 990 CO -0.04 0.81 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.51 1qvx h LEU 991 N 0.23 -0.73 -1.69 2.25 3.38 0.79 -2.17 115.31 117.36 1qvx h LEU 991 Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qvx h LEU 991 Cb 0.61 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1qvx h LEU 991 CO 0.03 -0.47 0.21 0.78 0.09 0.00 0.00 178.44 179.09 1qvx h ASN 992 N -0.75 0.36 0.04 -0.43 4.21 -1.54 0.71 115.58 118.18 1qvx h ASN 992 Ca -0.06 -0.01 -0.23 0.00 1.21 0.00 0.00 56.30 57.21 1qvx h ASN 992 Cb 0.61 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.73 1qvx h ASN 992 CO 0.06 0.26 -0.88 0.77 -1.29 0.00 0.00 177.43 176.36 1qvx h SER 993 N 0.42 0.80 0.00 5.81 4.64 -1.37 -3.04 113.55 120.81 1qvx h SER 993 Ca 0.12 -0.58 -0.27 0.00 -0.47 0.00 0.00 61.79 60.59 1qvx h SER 993 Cb -0.04 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 61.76 1qvx h SER 993 CO -0.03 1.37 -2.12 0.47 -0.87 0.00 0.00 176.83 175.65 1qvx n ASP 994 N -3.87 0.79 -0.26 4.97 8.00 -0.71 -2.21 116.55 123.26 1qvx n ASP 994 Ca -0.08 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.38 1qvx n ASP 994 Cb 0.79 1.05 0.07 0.00 -0.02 0.00 0.00 41.12 43.01 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 0.81 -0.42 0.64 7.12 0.23 0.19 115.31 123.88 1qvx h LEU 995 Ca -0.40 -0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.56 1qvx h LEU 995 Cb 1.89 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.80 1qvx h LEU 995 CO 0.02 0.58 0.13 0.00 -0.13 0.00 0.00 178.44 179.04 1qvx h ALA 996 N 1.28 0.55 -0.56 1.25 0.00 -1.65 -2.14 119.26 117.99 1qvx h ALA 996 Ca 0.28 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1qvx h ALA 996 Cb -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1qvx h ALA 996 CO -0.07 0.21 0.16 1.49 0.00 0.00 0.00 179.25 181.04 1qvx h GLU 997 N 0.54 0.31 -0.48 0.00 4.81 -0.94 -2.65 114.58 116.17 1qvx h GLU 997 Ca 0.14 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1qvx h GLU 997 Cb 0.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1qvx h GLU 997 CO -0.00 0.20 -0.13 1.25 -0.73 0.00 0.00 179.01 179.60 1qvx h LEU 998 N 0.32 0.90 -1.75 1.64 5.85 -0.62 0.56 115.31 122.21 1qvx h LEU 998 Ca 0.29 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1qvx h LEU 998 Cb 0.38 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1qvx h LEU 998 CO -0.33 1.04 0.04 0.16 -0.34 0.00 0.00 178.44 179.01 1qvx h ILE 999 N 0.80 1.07 0.00 4.05 3.07 -1.06 0.40 117.51 125.85 1qvx h ILE 999 Ca 0.13 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1qvx h ILE 999 Cb 0.66 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1qvx h ILE 999 CO 0.05 0.09 -0.96 -0.46 -1.05 0.00 0.00 178.15 175.82 1qvx n ASN 1000N -4.46 0.68 0.05 2.16 0.23 -0.84 -2.72 115.26 110.35 1qvx n ASN 1000Ca -0.01 -0.45 -0.14 0.00 -0.53 0.00 0.00 54.58 53.46 1qvx n ASN 1000Cb 0.12 0.80 -0.14 0.00 -2.08 0.00 0.00 39.78 38.49 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1qvx h LYS 1001N 0.00 0.16 -0.05 -3.83 1.79 0.20 0.68 116.57 115.52 1qvx h LYS 1001Ca 0.00 -0.28 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 1qvx h LYS 1001Cb 0.62 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1qvx h LYS 1001CO 0.00 0.99 -0.48 0.52 -1.08 0.00 0.00 179.45 179.40 1qvx h MET 1002N 0.04 0.42 -0.72 3.15 2.86 -0.44 0.26 114.93 120.51 1qvx h MET 1002Ca -0.21 -0.38 0.11 0.00 -2.06 0.00 0.00 59.70 57.15 1qvx h MET 1002Cb 1.97 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 33.65 1qvx h MET 1002CO 0.14 1.03 0.33 -0.22 1.06 0.00 0.00 176.91 179.25 1qvx h LYS 1003N -0.06 0.51 -0.16 1.72 3.64 -1.61 0.13 116.57 120.75 1qvx h LYS 1003Ca -0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1qvx h LYS 1003Cb 1.16 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1qvx h LYS 1003CO 0.10 0.34 0.05 1.25 -2.27 0.00 0.00 179.45 178.92 1qvx h LEU 1004N 0.53 0.05 -0.98 5.20 5.85 0.67 1.34 115.31 127.98 1qvx h LEU 1004Ca 0.37 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.13 1qvx h LEU 1004Cb 0.46 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 1004CO -0.32 0.06 0.65 0.00 -0.34 0.00 0.00 178.44 178.48 1qvx h ALA 1005N 1.10 1.28 -0.24 1.25 0.00 -0.10 0.36 119.26 122.92 1qvx h ALA 1005Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1qvx h ALA 1005Cb 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1qvx h ALA 1005CO -0.07 0.57 -0.09 0.37 0.00 0.00 0.00 179.25 180.03 1qvx h GLN 1006N 1.27 0.38 0.00 0.00 -0.00 -0.36 -0.84 115.11 115.56 1qvx h GLN 1006Ca 0.38 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.86 1qvx h GLN 1006Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.37 1qvx h GLN 1006CO -0.11 0.48 -0.38 0.37 0.00 0.00 0.00 178.83 179.20 1qvx h GLN 1007N 0.36 0.00 0.00 1.69 5.75 0.45 -3.25 115.11 120.11 1qvx h GLN 1007Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1qvx h GLN 1007Cb 0.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1qvx h GLN 1007CO 0.02 0.38 -0.04 -0.92 -2.65 0.00 0.00 178.83 175.62 1qvx h TYR 1008N 0.00 0.00 -6.62 3.99 3.20 -0.20 -3.47 116.97 113.87 1qvx h TYR 1008Ca -0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1qvx h TYR 1008Cb 1.16 0.00 -0.32 0.00 1.54 0.00 0.00 36.73 39.10 1qvx h TYR 1008CO 0.00 0.00 -0.78 1.55 -1.64 0.00 0.00 178.16 177.29 1qvx n VAL 1009N -3.59 -0.05 1.90 1.81 3.14 -0.34 -4.75 118.33 116.44 1qvx n VAL 1009Ca -0.01 -0.03 0.02 0.00 -2.96 0.00 0.00 64.34 61.37 1qvx n VAL 1009Cb 0.02 -0.46 0.10 0.00 -1.06 0.00 0.00 33.84 32.45 1qvx n VAL 1009CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 1qvx n MET 1010N -3.58 1.08 -1.99 1.45 0.00 -1.26 -4.96 117.12 107.85 1qvx n MET 1010Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1qvx n MET 1010Cb 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.55 1qvx n MET 1010CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1qvx n THR 1011N -0.45-10.82 0.00 1.12 -2.24 -1.26 -4.33 114.28 96.30 1qvx n THR 1011Ca 0.03 2.80 0.00 0.00 -2.27 0.00 0.00 64.05 64.62 1qvx n THR 1011Cb 0.04 -4.51 0.00 0.00 -2.10 0.00 0.00 70.33 63.75 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 1.82 0.00 0.00 3.42 7.64 -1.26 -4.20 113.62 121.04 1qvx n SER 1012Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1qvx n SER 1012Cb 0.00 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 63.67 1qvx n SER 1012CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1qvx n LEU 1013N 0.00 0.00 0.20 -3.43 7.94 -1.26 -1.75 117.00 118.70 1qvx n LEU 1013Ca 0.00 0.39 0.14 0.00 -1.11 0.00 0.00 56.01 55.43 1qvx n LEU 1013Cb 0.00 -0.39 0.54 0.00 0.53 0.00 0.00 43.42 44.10 1qvx n LEU 1013CO 0.00 -0.13 0.91 -0.61 -1.11 0.00 0.00 177.39 176.46 1qvx h GLN 1014N 0.00 0.00 -0.80 1.96 -0.00 -1.82 -3.29 115.11 111.16 1qvx h GLN 1014Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1qvx h GLN 1014Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.70 1qvx h GLN 1014CO 0.00 0.00 0.47 0.37 0.00 0.00 0.00 178.83 179.67 1qvx h GLN 1015N 0.00 1.09 -0.68 1.69 5.75 -1.70 0.40 115.11 121.66 1qvx h GLN 1015Ca 0.00 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1qvx h GLN 1015Cb 0.52 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 1qvx h GLN 1015CO 0.00 0.78 0.45 1.05 -2.65 0.00 0.00 178.83 178.45 1qvx h GLU 1016N 1.11 0.76 0.00 1.69 4.11 -1.79 0.32 114.58 120.78 1qvx h GLU 1016Ca 0.29 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.63 1qvx h GLU 1016Cb -0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1qvx h GLU 1016CO -0.05 0.50 -0.17 1.88 0.07 0.00 0.00 179.01 181.24 1qvx h TYR 1017N 0.78 0.00 0.00 2.06 -1.99 -0.50 0.10 116.97 117.42 1qvx h TYR 1017Ca 0.28 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.90 1qvx h TYR 1017Cb 0.12 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1qvx h TYR 1017CO -0.00 0.17 -0.53 -0.22 -0.00 0.00 0.00 178.16 177.58 1qvx h LYS 1018N 0.00 0.00 0.11 4.88 3.64 0.85 -1.74 116.57 124.32 1qvx h LYS 1018Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1qvx h LYS 1018Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1qvx h LYS 1018CO 0.02 0.50 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.43 1qvx h LYS 1019N 0.00 -0.14 -0.76 1.90 3.64 0.13 -2.42 116.57 118.91 1qvx h LYS 1019Ca -0.01 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 1qvx h LYS 1019Cb 1.39 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 1qvx h LYS 1019CO 0.06 0.33 0.52 1.96 -2.27 0.00 0.00 179.45 180.06 1qvx h GLN 1020N -0.89 0.19 -0.23 1.90 7.50 -1.00 -0.19 115.11 122.39 1qvx h GLN 1020Ca -0.02 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.16 1qvx h GLN 1020Cb 0.55 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.00 1qvx h GLN 1020CO 0.03 0.12 0.03 1.98 -1.50 0.00 0.00 178.83 179.49 1qvx h MET 1021N 0.19 0.11 -0.01 1.46 4.05 -1.21 0.62 114.93 120.14 1qvx h MET 1021Ca 0.37 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1qvx h MET 1021Cb 1.18 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1qvx h MET 1021CO -0.07 0.07 0.00 1.25 0.23 0.00 0.00 176.91 178.40 1qvx h LEU 1022N 0.12 0.01 -1.25 3.39 7.12 -0.55 0.32 115.31 124.47 1qvx h LEU 1022Ca 0.11 -0.20 0.01 0.00 0.13 0.00 0.00 57.88 57.92 1qvx h LEU 1022Cb 0.12 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.21 1qvx h LEU 1022CO -0.16 0.21 0.50 0.74 -0.13 0.00 0.00 178.44 179.60 1qvx h THR 1023N -0.19 1.20 -0.13 1.05 2.02 -1.29 0.15 112.91 115.72 1qvx h THR 1023Ca 0.00 -0.37 -0.23 0.00 0.77 0.00 0.00 66.41 66.59 1qvx h THR 1023Cb 0.20 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1qvx h THR 1023CO -0.00 0.19 -0.81 0.00 0.37 0.00 0.00 175.52 175.27 1qvx h ALA 1024N 1.52 0.28 -0.33 6.16 0.00 -0.59 -0.79 119.26 125.51 1qvx h ALA 1024Ca 0.28 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1qvx h ALA 1024Cb -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1qvx h ALA 1024CO -0.06 0.68 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 1qvx h ALA 1025N 0.53 1.24 -0.09 0.00 0.00 0.14 0.12 119.26 121.20 1qvx h ALA 1025Ca -0.06 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 1qvx h ALA 1025Cb 1.45 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1qvx h ALA 1025CO 0.17 0.50 -0.85 1.25 0.00 0.00 0.00 179.25 180.31 1qvx h HIS 1026N 0.51 0.93 -0.29 0.00 6.17 -0.63 0.18 115.15 122.02 1qvx h HIS 1026Ca 0.10 -0.44 0.02 0.00 0.71 0.00 0.00 60.37 60.76 1qvx h HIS 1026Cb 0.46 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 1qvx h HIS 1026CO 0.02 1.26 0.15 0.00 0.71 0.00 0.00 177.93 180.06 1qvx h ALA 1027N 0.61 0.35 -0.50 5.26 0.00 -0.84 -1.19 119.26 122.95 1qvx h ALA 1027Ca -0.07 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1qvx h ALA 1027Cb 1.48 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1qvx h ALA 1027CO 0.17 -0.24 0.23 1.25 0.00 0.00 0.00 179.25 180.65 1qvx h LEU 1028N 0.31 0.31 -1.92 0.00 6.46 -0.65 0.64 115.31 120.45 1qvx h LEU 1028Ca 0.12 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 58.04 1qvx h LEU 1028Cb 0.03 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1qvx h LEU 1028CO -0.08 0.21 0.34 0.00 -0.62 0.00 0.00 178.44 178.29 1qvx h ALA 1029N 1.29 2.33 -0.08 1.25 0.00 -0.14 0.06 119.26 123.98 1qvx h ALA 1029Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1029Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1qvx h ALA 1029CO -0.19 -0.46 -0.60 0.28 0.00 0.00 0.00 179.25 178.28 1qvx h VAL 1030N 0.09 1.38 -0.55 0.00 2.07 0.34 -0.05 116.25 119.54 1qvx h VAL 1030Ca 0.23 -1.97 0.10 0.00 0.82 0.00 0.00 66.70 65.88 1qvx h VAL 1030Cb 0.79 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 1qvx h VAL 1030CO -0.02 0.58 0.06 0.44 0.02 0.00 0.00 177.57 178.66 1qvx h ASP 1031N 0.19 -0.11 -0.09 0.57 5.19 -0.36 0.38 116.42 122.20 1qvx h ASP 1031Ca -0.01 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1qvx h ASP 1031Cb 1.11 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1qvx h ASP 1031CO 0.09 -0.03 -0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1qvx h ALA 1032N 1.46 0.12 -0.94 3.45 0.00 -1.24 -2.35 119.26 119.76 1qvx h ALA 1032Ca 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 1032Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1qvx h ALA 1032CO -0.41 -0.19 0.58 0.87 0.00 0.00 0.00 179.25 180.10 1qvx h LYS 1033N -0.14 1.26 -0.20 0.00 1.57 -0.24 0.55 116.57 119.38 1qvx h LYS 1033Ca 0.02 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1qvx h LYS 1033Cb 0.36 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qvx h LYS 1033CO 0.01 0.87 -0.55 -0.97 -0.57 0.00 0.00 179.45 178.23 1qvx h ASN 1034N 1.29 0.69 0.95 0.86 -1.24 -0.31 -2.87 115.58 114.95 1qvx h ASN 1034Ca 0.34 -0.37 -0.18 0.00 0.71 0.00 0.00 56.30 56.80 1qvx h ASN 1034Cb -0.08 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.74 1qvx h ASN 1034CO -0.07 1.10 -0.84 0.25 -1.29 0.00 0.00 177.43 176.58 1qvx h LEU 1035N 0.47 0.00 -1.46 0.34 5.85 -0.72 0.38 115.31 120.16 1qvx h LEU 1035Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 1035Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1qvx h LEU 1035CO 0.11 0.84 -0.20 0.17 -0.34 0.00 0.00 178.44 179.01 1qvx h LEU 1036N 0.00 0.00 0.11 2.25 8.10 0.09 0.66 115.31 126.52 1qvx h LEU 1036Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.80 1qvx h LEU 1036Cb 1.54 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.77 1qvx h LEU 1036CO 0.11 0.20 -0.84 -0.78 -4.11 0.00 0.00 178.44 173.02 1qvx h ASP 1037N 0.00 0.35 0.32 0.17 3.58 -1.25 -2.83 116.42 116.75 1qvx h ASP 1037Ca -0.00 -0.92 -0.01 0.00 0.42 0.00 0.00 57.03 56.52 1qvx h ASP 1037Cb 0.57 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1qvx h ASP 1037CO 0.03 1.39 -0.41 0.58 -2.88 0.00 0.00 179.24 177.95 1qvx h VAL 1038N -0.49 0.00 0.00 2.25 2.07 0.70 0.87 116.25 121.66 1qvx h VAL 1038Ca -0.17 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 1qvx h VAL 1038Cb 1.55 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1qvx h VAL 1038CO 0.09 0.00 -1.05 0.16 0.02 0.00 0.00 177.57 176.79 1qvx h ILE 1039N -0.75 1.03 -0.07 4.57 3.07 0.11 0.79 117.51 126.25 1qvx h ILE 1039Ca -0.04 -2.60 -0.01 0.00 1.55 0.00 0.00 64.86 63.76 1qvx h ILE 1039Cb 0.67 2.46 -0.01 0.00 -0.27 0.00 0.00 36.82 39.67 1qvx h ILE 1039CO -0.10 0.59 -0.00 -0.78 -1.05 0.00 0.00 178.15 176.80 1qvx h ASP 1040N 0.00 0.09 1.58 2.16 3.58 -1.57 0.11 116.42 122.37 1qvx h ASP 1040Ca -0.09 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1qvx h ASP 1040Cb 1.65 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 1qvx h ASP 1040CO 0.08 0.12 -0.40 1.56 -2.88 0.00 0.00 179.24 177.72 1qvx h GLN 1041N 0.10 0.00 0.15 0.28 4.20 -0.04 -2.98 115.11 116.83 1qvx h GLN 1041Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1qvx h GLN 1041Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1qvx h GLN 1041CO 0.00 0.40 -0.15 0.00 -0.67 0.00 0.00 178.83 178.41 1qvx h ALA 1042N 1.60 -0.30 -0.42 3.87 0.00 0.27 1.99 119.26 126.27 1qvx h ALA 1042Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1qvx h ALA 1042Cb 1.29 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1qvx h ALA 1042CO 0.05 -0.69 0.29 0.07 0.00 0.00 0.00 179.25 178.97 1qvx h ARG 1043N -0.33 0.24 0.00 0.00 -0.00 -0.94 0.14 114.38 113.49 1qvx h ARG 1043Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.98 59.77 1qvx h ARG 1043Cb 0.31 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.20 1qvx h ARG 1043CO -0.03 0.16 -0.92 1.25 -0.00 0.00 0.00 179.97 180.43 1qvx h LEU 1044N 0.25 0.00 -0.62 0.08 5.85 -1.16 -2.96 115.31 116.75 1qvx h LEU 1044Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1qvx h LEU 1044Cb 0.44 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1qvx h LEU 1044CO -0.04 0.92 0.34 0.11 -0.34 0.00 0.00 178.44 179.43 1qvx h LYS 1045N 0.00 0.86 -0.37 1.25 6.56 0.57 1.31 116.57 126.75 1qvx h LYS 1045Ca -0.01 -0.10 -0.06 0.00 -1.06 0.00 0.00 60.65 59.43 1qvx h LYS 1045Cb 1.65 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 33.13 1qvx h LYS 1045CO 0.12 0.65 -0.01 1.98 -2.06 0.00 0.00 179.45 180.13 1qvx h MET 1046N 0.84 0.58 -0.21 3.15 4.05 -1.02 -1.47 114.93 120.85 1qvx h MET 1046Ca 0.22 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.39 1qvx h MET 1046Cb 0.04 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1qvx h MET 1046CO -0.04 0.61 -0.32 0.82 0.23 0.00 0.00 176.91 178.22 1qvx h ILE 1047N 0.56 1.33 -0.88 1.77 1.08 -1.16 -2.64 117.51 117.56 1qvx h ILE 1047Ca 0.12 -1.52 0.22 0.00 -0.39 0.00 0.00 64.86 63.29 1qvx h ILE 1047Cb 0.36 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.86 1qvx h ILE 1047CO 0.01 0.47 0.60 0.28 -0.69 0.00 0.00 178.15 178.83 1qvx h SER 1048N 0.27 0.24 0.86 1.72 0.02 0.22 0.80 113.55 117.69 1qvx h SER 1048Ca 0.02 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1qvx h SER 1048Cb 0.90 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1qvx h SER 1048CO 0.07 0.09 -1.21 -0.61 -1.14 0.00 0.00 176.83 174.04 1qvx h GLN 1049N 0.24 0.00 0.00 3.45 5.75 -1.19 -3.33 115.11 120.04 1qvx h GLN 1049Ca 0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 1qvx h GLN 1049Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1qvx h GLN 1049CO -0.11 0.80 -0.44 -1.13 -2.65 0.00 0.00 178.83 175.29 1qvx n SER 1050N -3.24 0.46 -3.73 -0.69 3.41 -0.06 -4.57 113.62 105.20 1qvx n SER 1050Ca -0.05 -0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 1qvx n SER 1050Cb 0.96 0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.87 1qvx n SER 1050CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvx s ARG 1051N -3.03 0.70 0.39 4.33 1.70 0.08 -5.00 118.95 118.13 1qvx s ARG 1051Ca 0.11 -0.76 0.28 0.00 -0.47 0.00 0.00 55.73 54.89 1qvx s ARG 1051Cb 0.17 -2.01 1.28 0.00 -0.57 0.00 0.00 34.95 33.82 1qvx s ARG 1051CO 0.68 -0.82 1.85 -1.35 -1.08 0.00 0.00 175.30 174.57 1qvx h PRO 1052N 8.17 0.00 0.00 3.89 0.11 -1.81 -3.43 132.00 138.94 1qvx h PRO 1052Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1qvx h PRO 1052Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qvx h PRO 1052CO 0.41 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.81