#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 -5.26 -3.17 0.55 2.88 -1.26 -2.91 113.62 104.44 1qvx n SER 921 Ca 0.00 0.29 -0.08 0.00 -1.33 0.00 0.00 58.87 57.75 1qvx n SER 921 Cb 0.00 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 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 -0.85 -7.21 -3.27 -3.46 5.03 -1.26 -4.96 115.26 99.28 1qvx n ASN 922 Ca -0.12 -0.12 -0.05 0.00 0.87 0.00 0.00 54.58 55.17 1qvx n ASN 922 Cb 0.52 -4.52 0.05 0.00 -1.02 0.00 0.00 39.78 34.81 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1qvx n ASP 923 N -1.57 -1.65 0.00 6.41 2.03 -1.15 -3.50 116.55 117.12 1qvx n ASP 923 Ca -0.04 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1qvx n ASP 923 Cb 0.54 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.32 0.00 -0.03 -0.67 0.00 -1.26 -0.02 118.16 115.86 1qvx n LYS 924 Ca 0.02 0.14 -0.13 0.00 0.00 0.00 0.00 58.31 58.34 1qvx n LYS 924 Cb 0.10 -1.76 -0.11 0.00 0.00 0.00 0.00 35.03 33.26 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 1.49 0.00 3.15 -1.51 -1.87 -0.20 116.25 117.30 1qvx h VAL 925 Ca 0.00 -1.45 -0.08 0.00 -1.23 0.00 0.00 66.70 63.94 1qvx h VAL 925 Cb 0.53 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1qvx h VAL 925 CO 0.00 0.38 -0.39 0.22 -1.23 0.00 0.00 177.57 176.55 1qvx h TYR 926 N -0.58 0.00 0.24 5.19 3.20 -0.48 -3.08 116.97 121.46 1qvx h TYR 926 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1qvx h TYR 926 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1qvx h TYR 926 CO 0.14 0.39 -0.12 0.93 -1.64 0.00 0.00 178.16 177.86 1qvx h GLU 927 N 0.00 -0.32 -0.17 1.82 5.08 -1.56 -3.06 114.58 116.38 1qvx h GLU 927 Ca -0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1qvx h GLU 927 Cb 0.96 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1qvx h GLU 927 CO 0.05 -0.03 -0.24 -0.97 -1.00 0.00 0.00 179.01 176.81 1qvx h ASN 928 N -1.00 0.30 -0.49 1.42 -0.73 -1.07 -0.69 115.58 113.31 1qvx h ASN 928 Ca -0.03 -0.09 -0.11 0.00 1.87 0.00 0.00 56.30 57.94 1qvx h ASN 928 Cb 0.43 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1qvx h ASN 928 CO 0.05 0.55 -0.11 1.62 -0.37 0.00 0.00 177.43 179.17 1qvx h VAL 929 N 0.27 1.27 -0.70 2.57 3.04 -1.68 0.11 116.25 121.13 1qvx h VAL 929 Ca 0.04 -1.25 0.17 0.00 -1.01 0.00 0.00 66.70 64.65 1qvx h VAL 929 Cb 0.58 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 1qvx h VAL 929 CO 0.04 0.43 0.48 0.74 -1.01 0.00 0.00 177.57 178.26 1qvx h THR 930 N 0.79 0.73 -0.11 3.17 2.02 -1.20 0.11 112.91 118.42 1qvx h THR 930 Ca 0.12 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 1qvx h THR 930 Cb 0.67 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1qvx h THR 930 CO 0.05 0.03 -0.30 1.23 0.37 0.00 0.00 175.52 176.90 1qvx h GLY 931 N 0.19 0.22 0.92 2.16 0.00 0.61 0.20 103.07 107.38 1qvx h GLY 931 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1qvx h GLY 931 CO -0.06 0.16 -0.05 -2.00 0.00 0.00 0.00 176.54 174.59 1qvx h LEU 932 N 0.19 -0.11 -1.78 3.11 5.85 0.27 0.35 115.31 123.18 1qvx h LEU 932 Ca 0.03 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1qvx h LEU 932 Cb 0.63 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1qvx h LEU 932 CO 0.05 -0.01 0.04 0.58 -0.34 0.00 0.00 178.44 178.76 1qvx h VAL 933 N -0.21 1.06 -0.16 1.05 2.07 -1.09 -0.72 116.25 118.25 1qvx h VAL 933 Ca -0.01 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1qvx h VAL 933 Cb 0.17 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1qvx h VAL 933 CO 0.02 0.07 -0.41 0.11 0.02 0.00 0.00 177.57 177.38 1qvx h LYS 934 N 0.18 0.55 0.00 1.57 6.56 0.07 -2.45 116.57 123.06 1qvx h LYS 934 Ca 0.05 -0.39 -0.09 0.00 -1.06 0.00 0.00 60.65 59.16 1qvx h LYS 934 Cb 0.06 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1qvx h LYS 934 CO -0.00 1.01 -0.42 0.00 -2.06 0.00 0.00 179.45 177.98 1qvx h ALA 935 N 0.55 0.84 0.00 3.86 0.00 -0.09 -1.88 119.26 122.54 1qvx h ALA 935 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qvx h ALA 935 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qvx h ALA 935 CO 0.09 0.52 0.00 1.55 0.00 0.00 0.00 179.25 181.41 1qvx n VAL 936 N -3.36 0.59 0.12 0.00 3.14 -0.30 -1.51 118.33 117.02 1qvx n VAL 936 Ca 0.01 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1qvx n VAL 936 Cb 0.61 -0.78 0.19 0.00 -1.06 0.00 0.00 33.84 32.80 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 1.39 -0.95 1.55 1.08 -0.84 -2.59 117.51 117.15 1qvx h ILE 937 Ca 0.00 -1.89 0.05 0.00 -0.39 0.00 0.00 64.86 62.64 1qvx h ILE 937 Cb 0.52 1.98 -0.06 0.00 -3.07 0.00 0.00 36.82 36.19 1qvx h ILE 937 CO 0.00 0.55 0.61 -0.33 -0.69 0.00 0.00 178.15 178.28 1qvx h GLU 938 N 0.07 1.10 -0.57 2.37 4.39 -1.16 -0.27 114.58 120.50 1qvx h GLU 938 Ca -0.00 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.69 1qvx h GLU 938 Cb 1.00 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1qvx h GLU 938 CO 0.08 0.73 0.29 1.98 -1.16 0.00 0.00 179.01 180.92 1qvx h MET 939 N 1.14 0.52 -0.03 2.33 4.05 -1.35 0.36 114.93 121.95 1qvx h MET 939 Ca 0.39 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.63 1qvx h MET 939 Cb 0.09 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1qvx h MET 939 CO -0.15 0.35 -0.67 0.66 0.23 0.00 0.00 176.91 177.32 1qvx h SER 940 N 0.54 0.15 0.15 1.39 4.64 -1.17 -2.32 113.55 116.93 1qvx h SER 940 Ca 0.26 -0.09 -0.29 0.00 -0.47 0.00 0.00 61.79 61.20 1qvx h SER 940 Cb 0.19 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1qvx h SER 940 CO -0.19 0.78 -1.22 0.77 -0.87 0.00 0.00 176.83 176.09 1qvx h SER 941 N 0.09 0.81 -0.56 4.97 4.64 -0.59 -2.98 113.55 119.93 1qvx h SER 941 Ca -0.01 -0.86 0.10 0.00 -0.47 0.00 0.00 61.79 60.55 1qvx h SER 941 Cb 1.20 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.95 1qvx h SER 941 CO 0.10 1.60 0.11 0.11 -0.87 0.00 0.00 176.83 177.87 1qvx h LYS 942 N 0.15 0.23 0.00 4.77 1.79 -0.31 -1.71 116.57 121.50 1qvx h LYS 942 Ca -0.20 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1qvx h LYS 942 Cb 1.92 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1qvx h LYS 942 CO 0.23 0.15 -0.13 0.97 -1.08 0.00 0.00 179.45 179.60 1qvx h ILE 943 N 0.24 0.33 0.47 1.86 2.10 -1.39 -1.15 117.51 119.96 1qvx h ILE 943 Ca 0.29 -0.84 -0.02 0.00 1.08 0.00 0.00 64.86 65.37 1qvx h ILE 943 Cb 0.41 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 1qvx h ILE 943 CO -0.38 0.12 -0.41 1.56 -1.08 0.00 0.00 178.15 177.96 1qvx h GLN 944 N 0.00 -0.83 0.02 2.19 1.08 -1.14 -3.35 115.11 113.07 1qvx h GLN 944 Ca -0.00 0.06 -0.32 0.00 -1.45 0.00 0.00 58.65 56.93 1qvx h GLN 944 Cb 0.63 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 28.20 1qvx h GLN 944 CO 0.02 -0.55 -1.94 -0.35 -0.95 0.00 0.00 178.83 175.06 1qvx n PRO 945 N -4.92 0.66 -3.00 1.46 -0.05 -1.23 -4.99 135.00 122.93 1qvx n PRO 945 Ca -0.10 0.22 -0.32 0.00 -0.05 0.00 0.00 63.50 63.24 1qvx n PRO 945 Cb 0.38 -1.71 -0.06 0.00 -0.05 0.00 0.00 33.50 32.07 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1qvx s ALA 946 N -2.56 3.23 0.90 0.55 0.00 -0.44 -5.08 121.76 118.36 1qvx s ALA 946 Ca -0.09 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 1qvx s ALA 946 Cb 0.07 -2.89 0.16 0.00 0.00 0.00 0.00 23.12 20.46 1qvx s ALA 946 CO 0.81 0.23 0.99 -0.35 0.00 0.00 0.00 175.76 177.44 1qvx n PRO 947 N -0.55 -0.71 -0.32 0.00 -0.04 -1.26 -4.64 135.00 127.49 1qvx n PRO 947 Ca 0.05 -1.82 0.22 0.00 -0.04 0.00 0.00 63.50 61.91 1qvx n PRO 947 Cb 0.53 -0.92 0.50 0.00 -0.04 0.00 0.00 33.50 33.57 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1qvx h PRO 948 N 0.00 0.41 -0.01 0.54 0.13 -1.98 0.29 132.00 131.38 1qvx h PRO 948 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qvx h PRO 948 Cb 0.96 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1qvx h PRO 948 CO 0.26 0.27 0.25 0.93 -0.23 0.00 0.00 178.00 179.47 1qvx h GLU 949 N 0.42 0.00 -0.01 0.86 5.08 -1.99 0.57 114.58 119.51 1qvx h GLU 949 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1qvx h GLU 949 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1qvx h GLU 949 CO -0.30 0.00 -0.30 0.39 -1.00 0.00 0.00 179.01 177.80 1qvx n GLU 950 N -2.96 1.87 -0.29 2.33 -0.58 0.99 -4.19 120.64 117.80 1qvx n GLU 950 Ca -0.02 -0.69 -0.01 0.00 -0.42 0.00 0.00 57.16 56.02 1qvx n GLU 950 Cb 0.30 -1.20 0.12 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.46 0.94 0.01 -0.32 0.05 0.39 0.61 116.97 120.11 1qvx h TYR 951 Ca 0.00 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1qvx h TYR 951 Cb 0.46 -0.30 0.01 0.00 1.01 0.00 0.00 36.73 37.91 1qvx h TYR 951 CO 0.00 0.49 -0.35 -0.24 -1.05 0.00 0.00 178.16 177.02 1qvx h VAL 952 N 0.94 1.54 -0.24 -2.88 3.04 -1.75 -2.94 116.25 113.97 1qvx h VAL 952 Ca 0.35 -2.05 0.07 0.00 -1.01 0.00 0.00 66.70 64.05 1qvx h VAL 952 Cb 0.12 2.82 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 1qvx h VAL 952 CO -0.15 0.57 0.18 -0.65 -1.01 0.00 0.00 177.57 176.50 1qvx h PRO 953 N -0.45 0.00 -0.03 4.17 0.11 -1.69 -1.07 132.00 133.05 1qvx h PRO 953 Ca -0.05 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 1qvx h PRO 953 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1qvx h PRO 953 CO 0.07 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.14 1qvx h MET 954 N 0.00 0.15 0.00 1.05 -0.00 0.20 -2.12 114.93 114.20 1qvx h MET 954 Ca 0.11 -0.13 -0.07 0.00 -0.00 0.00 0.00 59.70 59.61 1qvx h MET 954 Cb 0.47 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 1qvx h MET 954 CO -0.00 0.80 -0.34 -0.24 -0.00 0.00 0.00 176.91 177.12 1qvx h VAL 955 N 0.10 0.81 -0.85 -0.10 3.04 -1.18 -2.47 116.25 115.59 1qvx h VAL 955 Ca -0.02 -1.45 0.04 0.00 -1.01 0.00 0.00 66.70 64.26 1qvx h VAL 955 Cb 1.27 1.91 -0.05 0.00 -2.01 0.00 0.00 31.29 32.40 1qvx h VAL 955 CO 0.10 0.34 0.55 0.50 -1.01 0.00 0.00 177.57 178.05 1qvx h LYS 956 N 0.00 1.03 -0.63 4.17 1.63 -0.55 -1.08 116.57 121.14 1qvx h LYS 956 Ca -0.00 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.84 1qvx h LYS 956 Cb 0.88 -0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 32.20 1qvx h LYS 956 CO 0.04 0.68 0.21 0.93 -3.45 0.00 0.00 179.45 177.86 1qvx h GLU 957 N 1.06 0.36 0.00 1.90 4.39 -1.13 0.34 114.58 121.50 1qvx h GLU 957 Ca 0.34 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 1qvx h GLU 957 Cb 0.02 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1qvx h GLU 957 CO -0.12 0.24 -0.32 -0.39 -1.16 0.00 0.00 179.01 177.25 1qvx h VAL 958 N 0.37 1.20 -0.45 3.13 -1.51 -1.30 -2.59 116.25 115.11 1qvx h VAL 958 Ca 0.32 -1.12 -0.10 0.00 -1.23 0.00 0.00 66.70 64.57 1qvx h VAL 958 Cb 0.44 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1qvx h VAL 958 CO -0.34 0.32 -0.11 1.23 -1.23 0.00 0.00 177.57 177.44 1qvx h GLY 959 N 1.01 0.94 0.98 5.19 0.00 0.25 -2.54 103.07 108.90 1qvx h GLY 959 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.57 1qvx h GLY 959 CO 0.04 0.71 0.63 1.41 0.00 0.00 0.00 176.54 179.33 1qvx h LEU 960 N 0.70 1.08 -0.25 3.11 4.07 -1.05 0.24 115.31 123.20 1qvx h LEU 960 Ca 0.11 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.10 1qvx h LEU 960 Cb 0.65 -0.26 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 1qvx h LEU 960 CO 0.04 0.77 -0.45 0.00 -1.08 0.00 0.00 178.44 177.73 1qvx h ALA 961 N 1.36 -0.57 0.00 1.53 0.00 -1.07 0.25 119.26 120.75 1qvx h ALA 961 Ca 0.35 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1qvx h ALA 961 Cb -0.12 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1qvx h ALA 961 CO -0.09 -0.93 -0.47 1.25 0.00 0.00 0.00 179.25 179.02 1qvx h LEU 962 N -0.43 0.00 0.46 0.00 6.46 -1.22 -0.47 115.31 120.11 1qvx h LEU 962 Ca 0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1qvx h LEU 962 Cb 0.62 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1qvx h LEU 962 CO -0.48 0.47 -0.38 -0.09 -0.62 0.00 0.00 178.44 177.34 1qvx h ARG 963 N 0.00 -0.80 -0.58 1.25 9.65 -0.18 0.68 114.38 124.39 1qvx h ARG 963 Ca -0.00 0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1qvx h ARG 963 Cb 0.89 0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 1qvx h ARG 963 CO 0.06 -0.54 0.35 1.79 2.80 0.00 0.00 179.97 184.44 1qvx h THR 964 N -0.83 1.06 -0.92 0.20 1.35 -0.51 -1.97 112.91 111.29 1qvx h THR 964 Ca -0.05 -0.24 0.18 0.00 -0.55 0.00 0.00 66.41 65.75 1qvx h THR 964 Cb 0.72 0.31 -0.10 0.00 -1.73 0.00 0.00 68.15 67.34 1qvx h THR 964 CO -0.01 0.13 0.50 0.25 -0.25 0.00 0.00 175.52 176.13 1qvx h LEU 965 N 0.69 0.60 -1.35 3.87 5.85 -0.70 0.54 115.31 124.81 1qvx h LEU 965 Ca 0.24 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.19 1qvx h LEU 965 Cb 0.03 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1qvx h LEU 965 CO -0.10 0.20 0.54 -0.07 -0.34 0.00 0.00 178.44 178.67 1qvx h LEU 966 N 0.64 0.61 -0.52 2.25 3.38 0.12 0.42 115.31 122.21 1qvx h LEU 966 Ca 0.53 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.53 1qvx h LEU 966 Cb 0.82 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1qvx h LEU 966 CO -0.40 0.33 0.34 0.00 0.09 0.00 0.00 178.44 178.80 1qvx h ALA 967 N 1.61 0.66 -0.68 1.53 0.00 -0.80 -0.19 119.26 121.39 1qvx h ALA 967 Ca 0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1qvx h ALA 967 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 967 CO -0.17 0.08 0.21 1.15 0.00 0.00 0.00 179.25 180.52 1qvx h THR 968 N 0.68 1.25 -0.61 0.00 2.02 -0.87 -1.62 112.91 113.76 1qvx h THR 968 Ca 0.20 -0.87 0.14 0.00 0.77 0.00 0.00 66.41 66.65 1qvx h THR 968 Cb -0.05 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1qvx h THR 968 CO -0.05 0.34 0.42 0.58 0.37 0.00 0.00 175.52 177.18 1qvx h VAL 969 N 1.02 0.78 0.00 3.16 2.07 0.53 0.25 116.25 124.05 1qvx h VAL 969 Ca 0.22 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1qvx h VAL 969 Cb 0.30 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1qvx h VAL 969 CO -0.01 0.04 -0.16 0.44 0.02 0.00 0.00 177.57 177.90 1qvx h ASP 970 N 0.19 0.00 -0.06 0.57 3.32 -0.07 0.62 116.42 121.00 1qvx h ASP 970 Ca 0.29 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 1qvx h ASP 970 Cb 0.89 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.45 1qvx h ASP 970 CO -0.05 0.16 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.81 1qvx h GLU 971 N 0.00 0.44 0.00 3.56 4.39 -0.29 -3.20 114.58 119.47 1qvx h GLU 971 Ca -0.00 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.27 1qvx h GLU 971 Cb 0.78 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1qvx h GLU 971 CO 0.02 1.04 -0.19 1.03 -1.16 0.00 0.00 179.01 179.75 1qvx h SER 972 N -0.03 0.00 0.06 1.42 0.87 -0.74 -3.21 113.55 111.93 1qvx h SER 972 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1qvx h SER 972 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1qvx h SER 972 CO 0.10 0.19 -0.03 0.25 -0.53 0.00 0.00 176.83 176.80 1qvx h LEU 973 N 0.00 -0.08 -2.25 2.23 5.85 0.26 0.52 115.31 121.84 1qvx h LEU 973 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1qvx h LEU 973 Cb 0.61 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1qvx h LEU 973 CO 0.02 -0.06 -0.03 1.55 -0.34 0.00 0.00 178.44 179.58 1qvx h PRO 974 N -0.09 0.00 0.00 5.25 0.13 -1.65 0.15 132.00 135.79 1qvx h PRO 974 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1qvx h PRO 974 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1qvx h PRO 974 CO 0.01 0.03 0.00 0.28 -0.23 0.00 0.00 178.00 178.10 1qvx n VAL 975 N -3.94 0.37 0.08 1.56 0.31 -0.16 -3.14 118.33 113.41 1qvx n VAL 975 Ca -0.03 0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1qvx n VAL 975 Cb 0.12 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.20 -1.50 7.52 6.46 0.29 0.72 115.31 128.60 1qvx h LEU 976 Ca 0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1qvx h LEU 976 Cb 0.47 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1qvx h LEU 976 CO 0.00 0.24 0.00 1.55 -0.62 0.00 0.00 178.44 179.61 1qvx h PRO 977 N -0.70 0.00 0.33 5.25 0.13 -1.63 -1.77 132.00 133.61 1qvx h PRO 977 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1qvx h PRO 977 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1qvx h PRO 977 CO 0.04 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 177.65 1qvx h ALA 978 N 2.03 -0.44 0.00 -0.56 0.00 -1.47 -3.48 119.26 115.35 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 0.46 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1qvx h ALA 978 CO 0.00 -0.55 0.00 0.43 0.00 0.00 0.00 179.25 179.13 1qvx n SER 979 N -5.12 0.00 0.27 0.00 7.64 0.11 -4.88 113.62 111.63 1qvx n SER 979 Ca -0.09 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.97 1qvx n SER 979 Cb 0.27 0.00 0.87 0.00 -1.01 0.00 0.00 64.21 64.34 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 -0.72 0.44 2.02 0.26 -3.29 112.91 111.62 1qvx h THR 980 Ca 0.00 -0.18 0.21 0.00 0.77 0.00 0.00 66.41 67.21 1qvx h THR 980 Cb 0.00 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1qvx h THR 980 CO 0.00 0.00 0.72 -0.74 0.37 0.00 0.00 175.52 175.87 1qvx h HIS 981 N 0.00 0.00 0.24 3.16 2.76 -1.51 0.19 115.15 120.00 1qvx h HIS 981 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1qvx h HIS 981 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1qvx h HIS 981 CO 0.00 0.00 -0.12 -0.09 -1.30 0.00 0.00 177.93 176.42 1qvx h ARG 982 N 0.00 -0.31 -0.13 5.26 9.65 -1.86 -3.21 114.38 123.78 1qvx h ARG 982 Ca 0.34 0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 59.08 1qvx h ARG 982 Cb 1.77 0.07 0.01 0.00 -1.39 0.00 0.00 29.97 30.43 1qvx h ARG 982 CO -0.00 0.03 -0.55 1.49 2.80 0.00 0.00 179.97 183.74 1qvx h GLU 983 N -0.94 0.60 -0.21 0.20 4.57 -1.31 -3.12 114.58 114.37 1qvx h GLU 983 Ca -0.03 -0.47 0.04 0.00 -1.18 0.00 0.00 59.36 57.71 1qvx h GLU 983 Cb 0.49 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1qvx h GLU 983 CO 0.05 1.10 0.14 0.97 -1.18 0.00 0.00 179.01 180.09 1qvx h ILE 984 N 0.25 0.96 -0.16 2.32 2.10 -0.88 0.10 117.51 122.21 1qvx h ILE 984 Ca -0.03 -0.04 -0.19 0.00 1.08 0.00 0.00 64.86 65.67 1qvx h ILE 984 Cb 1.18 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1qvx h ILE 984 CO 0.11 0.02 -0.68 -0.33 -1.08 0.00 0.00 178.15 176.19 1qvx h GLU 985 N 0.12 0.65 0.59 2.19 4.39 -1.57 -2.31 114.58 118.64 1qvx h GLU 985 Ca 0.09 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 1qvx h GLU 985 Cb 0.21 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1qvx h GLU 985 CO -0.01 1.10 -0.28 0.00 -1.16 0.00 0.00 179.01 178.66 1qvx h MET 986 N 0.46 -0.76 -0.21 2.33 -0.00 -0.75 -2.83 114.93 113.17 1qvx h MET 986 Ca -0.02 0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.67 1qvx h MET 986 Cb 1.28 0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 33.05 1qvx h MET 986 CO 0.13 -0.48 -0.11 0.00 -0.00 0.00 0.00 176.91 176.46 1qvx h ALA 987 N -1.06 0.30 -0.61 -3.00 0.00 -1.56 -2.79 119.26 110.53 1qvx h ALA 987 Ca -0.08 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1qvx h ALA 987 Cb 0.64 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1qvx h ALA 987 CO 0.13 0.14 0.36 0.37 0.00 0.00 0.00 179.25 180.26 1qvx h GLN 988 N 0.15 0.69 -0.35 0.00 4.15 -1.53 0.92 115.11 119.13 1qvx h GLN 988 Ca 0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1qvx h GLN 988 Cb 0.60 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1qvx h GLN 988 CO 0.03 0.46 0.14 -0.22 -1.93 0.00 0.00 178.83 177.31 1qvx h LYS 989 N 0.71 0.49 -0.11 1.69 3.64 -1.55 -0.45 116.57 121.00 1qvx h LYS 989 Ca 0.25 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1qvx h LYS 989 Cb 0.06 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1qvx h LYS 989 CO -0.12 0.41 -0.60 1.25 -2.27 0.00 0.00 179.45 178.12 1qvx h LEU 990 N 0.49 0.71 0.23 5.20 5.85 -0.63 -3.07 115.31 124.08 1qvx h LEU 990 Ca 0.12 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.20 1qvx h LEU 990 Cb 0.10 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1qvx h LEU 990 CO -0.01 1.25 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.82 1qvx h LEU 991 N 0.23 -1.27 -0.77 2.25 3.38 0.13 0.13 115.31 119.38 1qvx h LEU 991 Ca -0.04 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.23 1qvx h LEU 991 Cb 1.25 0.46 -0.14 0.00 0.09 0.00 0.00 40.66 42.32 1qvx h LEU 991 CO 0.12 -0.53 -0.04 -1.13 0.09 0.00 0.00 178.44 176.95 1qvx h ASN 992 N -0.75 -0.44 -0.04 -0.43 -1.24 -1.16 0.26 115.58 111.78 1qvx h ASN 992 Ca -0.00 0.21 -0.05 0.00 0.71 0.00 0.00 56.30 57.16 1qvx h ASN 992 Cb 0.73 0.38 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1qvx h ASN 992 CO -0.19 -0.21 -0.18 0.77 -1.29 0.00 0.00 177.43 176.34 1qvx h SER 993 N 0.07 0.23 0.32 1.15 4.64 -1.40 -3.05 113.55 115.51 1qvx h SER 993 Ca 0.41 -0.64 -0.33 0.00 -0.47 0.00 0.00 61.79 60.76 1qvx h SER 993 Cb 0.72 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1qvx h SER 993 CO -0.71 0.83 -1.53 0.44 -0.87 0.00 0.00 176.83 174.99 1qvx h ASP 994 N -0.36 0.67 0.63 4.97 5.19 -0.28 0.11 116.42 127.35 1qvx h ASP 994 Ca -0.01 -0.80 -0.02 0.00 -0.62 0.00 0.00 57.03 55.57 1qvx h ASP 994 Cb 0.82 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1qvx h ASP 994 CO 0.04 1.65 -0.50 0.25 -3.12 0.00 0.00 179.24 177.56 1qvx h LEU 995 N 0.12 -1.32 -2.31 1.55 5.85 -0.68 0.30 115.31 118.82 1qvx h LEU 995 Ca -0.26 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1qvx h LEU 995 Cb 2.11 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 43.55 1qvx h LEU 995 CO 0.23 -0.70 0.20 0.00 -0.34 0.00 0.00 178.44 177.83 1qvx h ALA 996 N -1.04 1.58 -0.23 1.25 0.00 -1.61 0.27 119.26 119.49 1qvx h ALA 996 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 996 Cb 0.91 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qvx h ALA 996 CO 0.01 -0.27 -0.32 1.49 0.00 0.00 0.00 179.25 180.16 1qvx h GLU 997 N 0.00 0.62 -0.23 0.00 4.81 0.16 -1.22 114.58 118.72 1qvx h GLU 997 Ca 0.06 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1qvx h GLU 997 Cb 0.47 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1qvx h GLU 997 CO -0.00 0.97 0.14 1.25 -0.73 0.00 0.00 179.01 180.64 1qvx h LEU 998 N 0.32 0.28 0.08 1.64 6.46 0.11 0.14 115.31 124.35 1qvx h LEU 998 Ca 0.03 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1qvx h LEU 998 Cb 0.90 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1qvx h LEU 998 CO 0.07 0.25 -0.07 0.40 -0.62 0.00 0.00 178.44 178.47 1qvx h ILE 999 N 0.29 0.00 0.00 4.05 2.04 -1.25 -0.92 117.51 121.71 1qvx h ILE 999 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1qvx h ILE 999 Cb 0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1qvx h ILE 999 CO -0.02 0.00 0.28 -0.55 0.00 0.00 0.00 178.15 177.87 1qvx h ASN 1000N -0.16 0.00 0.32 1.72 7.08 -1.21 0.14 115.58 123.48 1qvx h ASN 1000Ca -0.01 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.88 1qvx h ASN 1000Cb 0.13 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.37 1qvx h ASN 1000CO -0.00 0.00 -1.66 0.11 -2.08 0.00 0.00 177.43 173.79 1qvx h LYS 1001N 0.00 0.31 0.10 4.14 1.79 0.05 0.46 116.57 123.42 1qvx h LYS 1001Ca 0.00 -0.53 -0.26 0.00 -2.18 0.00 0.00 60.65 57.68 1qvx h LYS 1001Cb 0.56 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1qvx h LYS 1001CO 0.00 1.19 -1.17 0.52 -1.08 0.00 0.00 179.45 178.91 1qvx h MET 1002N 0.09 0.28 -0.71 3.15 2.86 -0.37 0.36 114.93 120.59 1qvx h MET 1002Ca -0.30 -0.43 -0.05 0.00 -2.06 0.00 0.00 59.70 56.86 1qvx h MET 1002Cb 2.06 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 33.84 1qvx h MET 1002CO 0.16 1.18 0.26 -0.22 1.06 0.00 0.00 176.91 179.36 1qvx h LYS 1003N 0.10 1.08 -0.31 1.72 3.64 -0.85 -0.28 116.57 121.67 1qvx h LYS 1003Ca -0.12 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1qvx h LYS 1003Cb 1.88 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 1qvx h LYS 1003CO 0.19 0.91 0.19 1.25 -2.27 0.00 0.00 179.45 179.71 1qvx h LEU 1004N 1.03 0.36 -0.51 5.20 5.85 0.24 0.63 115.31 128.11 1qvx h LEU 1004Ca 0.23 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1qvx h LEU 1004Cb 0.25 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1qvx h LEU 1004CO -0.01 0.30 0.31 0.00 -0.34 0.00 0.00 178.44 178.70 1qvx h ALA 1005N 1.08 0.66 0.00 1.25 0.00 -0.07 0.23 119.26 122.40 1qvx h ALA 1005Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 1005Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1qvx h ALA 1005CO -0.02 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1qvx n GLN 1006N -4.78 0.29 0.06 0.00 1.13 -0.13 -0.25 117.38 113.69 1qvx n GLN 1006Ca 0.03 0.05 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 1qvx n GLN 1006Cb 0.06 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1qvx n GLN 1007N -1.33 0.62 -0.11 -1.09 -0.06 0.22 -4.12 117.38 111.52 1qvx n GLN 1007Ca 0.11 0.13 0.09 0.00 -2.00 0.00 0.00 57.00 55.34 1qvx n GLN 1007Cb 0.22 -1.79 0.13 0.00 -4.06 0.00 0.00 30.24 24.74 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -2.73 0.00 -1.62 3.69 9.36 0.59 -4.97 117.16 121.48 1qvx n TYR 1008Ca -0.05 -0.93 -0.15 0.00 3.32 0.00 0.00 57.90 60.09 1qvx n TYR 1008Cb 0.68 -0.14 -0.07 0.00 -0.63 0.00 0.00 39.34 39.17 1qvx n TYR 1008CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qvx s VAL 1009N -2.67 3.06 -0.61 2.97 0.11 0.65 -3.99 120.40 119.91 1qvx s VAL 1009Ca 0.30 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1qvx s VAL 1009Cb 0.26 -3.24 0.27 0.00 -1.53 0.00 0.00 36.38 32.14 1qvx s VAL 1009CO 0.03 -0.12 0.78 0.80 -3.33 0.00 0.00 175.10 173.26 1qvx n MET 1010N 8.74 2.58 0.00 1.54 0.00 -1.26 -4.92 117.12 123.80 1qvx n MET 1010Ca 0.46 -4.63 0.00 0.00 0.00 0.00 0.00 57.70 53.52 1qvx n MET 1010Cb 0.44 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.46 1qvx n MET 1010CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1qvx n THR 1011N 0.63 0.00 0.72 1.12 -1.04 -1.26 -0.96 114.28 113.50 1qvx n THR 1011Ca 0.30 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.38 1qvx n THR 1011Cb 0.41 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.86 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qvx n SER 1012N 3.10 0.96 -0.01 8.00 2.88 -1.26 -4.15 113.62 123.14 1qvx n SER 1012Ca 0.00 -0.98 0.14 0.00 -1.33 0.00 0.00 58.87 56.69 1qvx n SER 1012Cb 0.00 0.86 0.56 0.00 -0.75 0.00 0.00 64.21 64.88 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1qvx n LEU 1013N -1.03 0.14 -0.08 2.46 4.77 -0.13 -3.90 117.00 119.22 1qvx n LEU 1013Ca 0.04 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1qvx n LEU 1013Cb 0.27 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1qvx n LEU 1013CO 0.28 0.03 0.72 -0.61 -1.33 0.00 0.00 177.39 176.49 1qvx h GLN 1014N 0.05 0.43 -0.86 3.23 -0.00 -1.71 -3.20 115.11 113.05 1qvx h GLN 1014Ca 0.00 -0.16 0.16 0.00 -0.00 0.00 0.00 58.65 58.65 1qvx h GLN 1014Cb 0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.85 1qvx h GLN 1014CO 0.00 0.65 0.56 0.37 0.00 0.00 0.00 178.83 180.41 1qvx h GLN 1015N 0.18 0.55 0.11 1.69 4.15 -1.85 0.27 115.11 120.21 1qvx h GLN 1015Ca 0.06 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1qvx h GLN 1015Cb 0.48 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1qvx h GLN 1015CO 0.02 0.36 -0.50 1.49 -1.93 0.00 0.00 178.83 178.27 1qvx h GLU 1016N 0.57 -0.70 -0.50 1.69 4.81 -1.80 0.53 114.58 119.18 1qvx h GLU 1016Ca 0.44 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 1qvx h GLU 1016Cb 0.85 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1qvx h GLU 1016CO -0.18 -0.47 0.20 1.88 -0.73 0.00 0.00 179.01 179.71 1qvx h TYR 1017N -0.72 0.71 -0.97 0.92 -1.99 -1.46 -1.04 116.97 112.42 1qvx h TYR 1017Ca 0.00 -0.03 0.10 0.00 2.00 0.00 0.00 58.73 60.80 1qvx h TYR 1017Cb 0.74 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 39.18 1qvx h TYR 1017CO -0.44 0.56 0.62 -0.22 -0.00 0.00 0.00 178.16 178.68 1qvx h LYS 1018N 0.71 0.97 -0.28 4.88 3.64 -0.22 0.20 116.57 126.47 1qvx h LYS 1018Ca 0.17 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1qvx h LYS 1018Cb 0.15 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1qvx h LYS 1018CO -0.02 0.64 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.46 1qvx h LYS 1019N 1.00 0.58 -0.47 1.90 1.63 0.13 -1.89 116.57 119.46 1qvx h LYS 1019Ca 0.46 -0.25 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 1qvx h LYS 1019Cb 0.40 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1qvx h LYS 1019CO -0.22 0.82 0.31 1.96 -3.45 0.00 0.00 179.45 178.88 1qvx h GLN 1020N 0.33 0.36 0.00 1.90 4.20 -0.64 -0.89 115.11 120.37 1qvx h GLN 1020Ca 0.06 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1qvx h GLN 1020Cb 0.64 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1qvx h GLN 1020CO 0.04 0.24 -0.43 0.00 -0.67 0.00 0.00 178.83 178.01 1qvx h MET 1021N 0.37 0.00 -0.24 1.46 -0.00 -0.24 -1.96 114.93 114.32 1qvx h MET 1021Ca 0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.73 1qvx h MET 1021Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1qvx h MET 1021CO -0.05 0.43 -0.54 -0.07 -0.00 0.00 0.00 176.91 176.69 1qvx h LEU 1022N 0.00 0.80 -0.87 -0.10 3.38 -0.39 0.15 115.31 118.29 1qvx h LEU 1022Ca -0.00 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1qvx h LEU 1022Cb 1.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1qvx h LEU 1022CO 0.06 1.18 0.57 0.74 0.09 0.00 0.00 178.44 181.08 1qvx h THR 1023N 0.56 1.21 -0.59 0.22 2.02 -1.15 -0.66 112.91 114.51 1qvx h THR 1023Ca 0.01 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1qvx h THR 1023Cb 1.11 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1qvx h THR 1023CO 0.11 0.21 0.09 0.00 0.37 0.00 0.00 175.52 176.30 1qvx h ALA 1024N 1.33 1.04 -0.73 6.16 0.00 -0.98 0.30 119.26 126.37 1qvx h ALA 1024Ca 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qvx h ALA 1024Cb -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1qvx h ALA 1024CO -0.08 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.10 1qvx h ALA 1025N 1.19 1.19 -0.42 0.00 0.00 -0.15 0.24 119.26 121.31 1qvx h ALA 1025Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1qvx h ALA 1025Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qvx h ALA 1025CO 0.01 0.60 -0.29 1.25 0.00 0.00 0.00 179.25 180.82 1qvx h HIS 1026N 1.04 1.08 0.14 0.00 6.17 -0.70 -2.49 115.15 120.39 1qvx h HIS 1026Ca 0.25 -0.28 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 1qvx h HIS 1026Cb 0.16 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 29.84 1qvx h HIS 1026CO 0.01 1.09 -0.07 0.00 0.71 0.00 0.00 177.93 179.68 1qvx h ALA 1027N 0.88 -0.18 -0.59 5.26 0.00 0.46 -1.96 119.26 123.12 1qvx h ALA 1027Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 1027Cb 0.86 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1qvx h ALA 1027CO 0.08 -0.51 0.36 1.25 0.00 0.00 0.00 179.25 180.43 1qvx h LEU 1028N -0.37 0.70 -2.01 0.00 6.46 -0.63 0.14 115.31 119.61 1qvx h LEU 1028Ca -0.02 -0.06 0.15 0.00 -0.12 0.00 0.00 57.88 57.84 1qvx h LEU 1028Cb 0.30 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1qvx h LEU 1028CO 0.03 0.55 0.44 0.00 -0.62 0.00 0.00 178.44 178.84 1qvx h ALA 1029N 1.18 2.39 -0.10 1.25 0.00 -1.31 0.31 119.26 122.98 1qvx h ALA 1029Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 1029Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qvx h ALA 1029CO -0.04 -0.71 -0.29 0.28 0.00 0.00 0.00 179.25 178.49 1qvx h VAL 1030N 0.00 1.40 -0.20 0.00 2.07 -0.19 -1.54 116.25 117.79 1qvx h VAL 1030Ca 0.25 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1qvx h VAL 1030Cb 1.12 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1qvx h VAL 1030CO -0.00 0.47 0.05 -2.24 0.02 0.00 0.00 177.57 175.87 1qvx h ASP 1031N -0.09 0.30 -0.64 0.57 3.04 -0.38 0.34 116.42 119.56 1qvx h ASP 1031Ca -0.01 -0.23 0.19 0.00 -3.24 0.00 0.00 57.03 53.74 1qvx h ASP 1031Cb 0.91 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 39.09 1qvx h ASP 1031CO 0.06 0.45 0.49 0.00 -2.04 0.00 0.00 179.24 178.20 1qvx h ALA 1032N 0.86 2.55 0.03 4.15 0.00 -0.56 -0.67 119.26 125.62 1qvx h ALA 1032Ca 0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1032Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1qvx h ALA 1032CO 0.00 -0.82 -0.60 -0.22 0.00 0.00 0.00 179.25 177.61 1qvx h LYS 1033N 0.00 0.06 -0.18 0.00 3.64 -0.16 -2.97 116.57 116.95 1qvx h LYS 1033Ca 0.30 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1qvx h LYS 1033Cb 1.28 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1qvx h LYS 1033CO -0.00 1.05 0.10 -0.97 -2.27 0.00 0.00 179.45 177.35 1qvx h ASN 1034N -0.86 0.23 0.10 4.20 -1.24 -0.05 -2.74 115.58 115.21 1qvx h ASN 1034Ca -0.15 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.69 1qvx h ASN 1034Cb 1.23 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 1qvx h ASN 1034CO -0.04 0.25 -0.32 0.25 -1.29 0.00 0.00 177.43 176.28 1qvx h LEU 1035N 0.20 0.34 -2.19 0.34 5.85 -1.28 0.33 115.31 118.89 1qvx h LEU 1035Ca 0.07 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1qvx h LEU 1035Cb 0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qvx h LEU 1035CO -0.01 0.64 0.11 0.25 -0.34 0.00 0.00 178.44 179.10 1qvx h LEU 1036N 0.29 0.00 0.05 2.25 7.12 -1.32 0.63 115.31 124.32 1qvx h LEU 1036Ca 0.04 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.71 1qvx h LEU 1036Cb 0.71 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 1qvx h LEU 1036CO 0.05 0.00 -1.95 -0.67 -0.13 0.00 0.00 178.44 175.74 1qvx n ASP 1037N -4.11 1.33 0.16 1.25 2.03 -0.71 -2.87 116.55 113.63 1qvx n ASP 1037Ca 0.00 0.25 -0.14 0.00 0.52 0.00 0.00 54.79 55.42 1qvx n ASP 1037Cb 0.23 -0.27 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 1qvx n ASP 1037CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1qvx h VAL 1038N 0.03 0.76 0.01 5.18 2.07 0.18 0.22 116.25 124.70 1qvx h VAL 1038Ca -0.39 -0.34 -0.23 0.00 0.82 0.00 0.00 66.70 66.55 1qvx h VAL 1038Cb 2.04 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1qvx h VAL 1038CO 0.06 0.07 -1.16 0.16 0.02 0.00 0.00 177.57 176.73 1qvx h ILE 1039N -0.55 1.53 -0.61 4.57 3.07 -0.05 0.86 117.51 126.33 1qvx h ILE 1039Ca -0.04 -3.25 0.18 0.00 1.55 0.00 0.00 64.86 63.29 1qvx h ILE 1039Cb 0.41 2.77 -0.02 0.00 -0.27 0.00 0.00 36.82 39.71 1qvx h ILE 1039CO 0.06 0.88 0.44 -0.78 -1.05 0.00 0.00 178.15 177.71 1qvx h ASP 1040N 0.01 0.00 1.04 2.16 3.58 -1.58 0.17 116.42 121.81 1qvx h ASP 1040Ca -0.08 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.18 1qvx h ASP 1040Cb 1.83 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.86 1qvx h ASP 1040CO 0.13 0.00 -0.98 1.56 -2.88 0.00 0.00 179.24 177.07 1qvx h GLN 1041N 0.00 0.00 -0.01 0.28 4.20 0.98 -3.16 115.11 117.39 1qvx h GLN 1041Ca 0.29 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1qvx h GLN 1041Cb 1.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1qvx h GLN 1041CO -0.00 0.81 -0.19 0.00 -0.67 0.00 0.00 178.83 178.77 1qvx h ALA 1042N 1.13 -0.23 -0.27 3.87 0.00 0.34 1.56 119.26 125.65 1qvx h ALA 1042Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qvx h ALA 1042Cb 1.70 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1qvx h ALA 1042CO 0.11 -0.68 0.05 0.07 0.00 0.00 0.00 179.25 178.79 1qvx h ARG 1043N -0.31 0.39 0.00 0.00 -0.00 -0.97 0.11 114.38 113.60 1qvx h ARG 1043Ca 0.06 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.98 59.94 1qvx h ARG 1043Cb 0.39 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.28 1qvx h ARG 1043CO -0.19 0.38 -0.23 1.25 -0.00 0.00 0.00 179.97 181.18 1qvx h LEU 1044N 0.39 0.00 -1.10 0.08 5.85 -1.32 -0.58 115.31 118.63 1qvx h LEU 1044Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1qvx h LEU 1044Cb 0.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1qvx h LEU 1044CO -0.00 0.23 0.22 0.11 -0.34 0.00 0.00 178.44 178.66 1qvx h LYS 1045N 0.00 0.86 -0.31 1.25 6.56 0.35 0.50 116.57 125.77 1qvx h LYS 1045Ca -0.00 -0.14 -0.11 0.00 -1.06 0.00 0.00 60.65 59.34 1qvx h LYS 1045Cb 1.13 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1qvx h LYS 1045CO 0.03 0.71 -0.27 1.98 -2.06 0.00 0.00 179.45 179.84 1qvx h MET 1046N 0.84 0.62 -0.58 3.15 4.05 -0.30 -2.47 114.93 120.24 1qvx h MET 1046Ca 0.20 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1qvx h MET 1046Cb 0.19 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1qvx h MET 1046CO -0.02 0.83 0.36 0.82 0.23 0.00 0.00 176.91 179.14 1qvx h ILE 1047N 0.54 1.17 -1.05 1.77 1.08 -0.18 0.82 117.51 121.66 1qvx h ILE 1047Ca 0.07 -0.36 0.28 0.00 -0.39 0.00 0.00 64.86 64.46 1qvx h ILE 1047Cb 0.75 0.36 -0.11 0.00 -3.07 0.00 0.00 36.82 34.74 1qvx h ILE 1047CO 0.06 0.17 0.65 -1.28 -0.69 0.00 0.00 178.15 177.06 1qvx h SER 1048N 0.79 0.52 0.00 1.72 0.87 0.41 0.34 113.55 118.20 1qvx h SER 1048Ca 0.21 0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.70 1qvx h SER 1048Cb -0.04 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1qvx h SER 1048CO -0.04 0.05 -1.20 0.00 -0.53 0.00 0.00 176.83 175.10 1qvx n GLN 1049N -4.77 0.53 -3.59 2.24 1.13 -0.83 -4.77 117.38 107.32 1qvx n GLN 1049Ca 0.28 0.50 -0.27 0.00 -1.94 0.00 0.00 57.00 55.57 1qvx n GLN 1049Cb 0.89 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 29.45 1qvx n GLN 1049CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1qvx n SER 1050N -4.46 1.74 0.24 1.08 2.88 0.28 -4.95 113.62 110.42 1qvx n SER 1050Ca -0.27 -2.93 -0.14 0.00 -1.33 0.00 0.00 58.87 54.20 1qvx n SER 1050Cb 0.58 -0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 1qvx n SER 1050CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1qvx h ARG 1051N 5.12 -0.61 0.00 -1.46 2.43 -1.08 -3.32 114.38 115.47 1qvx h ARG 1051Ca 0.19 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1qvx h ARG 1051Cb 0.80 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1qvx h ARG 1051CO 0.60 -0.30 0.00 -1.35 -1.51 0.00 0.00 179.97 177.41 1qvx h PRO 1052N -0.96 0.00 -0.00 0.20 0.11 -1.92 -3.48 132.00 125.94 1qvx h PRO 1052Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1qvx h PRO 1052Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1qvx h PRO 1052CO 0.11 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.62