#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 -2.43 -3.04 6.15 7.64 -1.26 -4.22 113.62 116.46 1qvx n SER 921 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1qvx n SER 921 Cb 0.00 -1.55 0.01 0.00 -1.01 0.00 0.00 64.21 61.67 1qvx n SER 921 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qvx n ASN 922 N -0.25 -7.38 -3.05 6.43 4.13 -1.26 -4.96 115.26 108.91 1qvx n ASN 922 Ca 0.00 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1qvx n ASN 922 Cb 0.13 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 33.80 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1qvx n ASP 923 N -0.59 -1.35 -0.06 6.41 5.68 -1.26 -3.40 116.55 121.99 1qvx n ASP 923 Ca 0.05 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.41 1qvx n ASP 923 Cb 0.52 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.61 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1qvx n LYS 924 N -1.35 0.00 0.15 0.11 0.00 -1.26 0.37 118.16 116.18 1qvx n LYS 924 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 58.31 58.45 1qvx n LYS 924 Cb 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 35.03 34.27 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 0.80 0.01 3.15 -1.51 -1.88 0.19 116.25 117.01 1qvx h VAL 925 Ca 0.13 -0.28 -0.20 0.00 -1.23 0.00 0.00 66.70 65.13 1qvx h VAL 925 Cb 0.79 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.90 1qvx h VAL 925 CO -0.00 0.06 -0.92 0.22 -1.23 0.00 0.00 177.57 175.70 1qvx h TYR 926 N -0.47 0.12 -0.01 5.19 3.20 -0.10 -2.80 116.97 122.11 1qvx h TYR 926 Ca -0.03 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1qvx h TYR 926 Cb 0.35 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1qvx h TYR 926 CO -0.02 0.95 -0.00 0.93 -1.64 0.00 0.00 178.16 178.37 1qvx h GLU 927 N 0.03 0.02 -0.00 1.82 5.08 -1.53 -2.56 114.58 117.45 1qvx h GLU 927 Ca -0.03 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1qvx h GLU 927 Cb 1.60 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1qvx h GLU 927 CO 0.13 0.42 -0.70 -0.97 -1.00 0.00 0.00 179.01 176.88 1qvx h ASN 928 N -0.37 0.03 -0.54 1.42 -1.24 -0.67 -1.67 115.58 112.55 1qvx h ASN 928 Ca 0.00 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.94 1qvx h ASN 928 Cb 0.41 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1qvx h ASN 928 CO 0.00 0.72 0.12 0.58 -1.29 0.00 0.00 177.43 177.56 1qvx h VAL 929 N 0.02 1.25 -0.89 2.57 2.07 -1.55 0.35 116.25 120.07 1qvx h VAL 929 Ca -0.01 -0.89 0.26 0.00 0.82 0.00 0.00 66.70 66.87 1qvx h VAL 929 Cb 1.24 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1qvx h VAL 929 CO 0.09 0.33 0.67 0.74 0.02 0.00 0.00 177.57 179.42 1qvx h THR 930 N 0.76 0.50 0.00 2.57 2.02 -1.11 0.18 112.91 117.84 1qvx h THR 930 Ca 0.17 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.26 1qvx h THR 930 Cb 0.36 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1qvx h THR 930 CO 0.00 0.00 -0.43 1.23 0.37 0.00 0.00 175.52 176.69 1qvx h GLY 931 N 0.00 0.00 0.90 2.16 0.00 0.61 0.22 103.07 106.96 1qvx h GLY 931 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 1qvx h GLY 931 CO -0.00 0.00 0.08 -2.00 0.00 0.00 0.00 176.54 174.61 1qvx h LEU 932 N 0.00 0.48 -0.52 3.11 6.46 0.44 0.31 115.31 125.59 1qvx h LEU 932 Ca -0.00 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1qvx h LEU 932 Cb 0.87 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1qvx h LEU 932 CO 0.06 0.59 0.26 0.58 -0.62 0.00 0.00 178.44 179.30 1qvx h VAL 933 N 0.35 0.95 -0.56 1.05 2.07 -1.08 0.34 116.25 119.37 1qvx h VAL 933 Ca 0.10 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1qvx h VAL 933 Cb 0.30 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1qvx h VAL 933 CO 0.00 0.09 0.26 0.11 0.02 0.00 0.00 177.57 178.06 1qvx h LYS 934 N 0.50 0.49 0.00 1.57 1.79 -0.11 0.30 116.57 121.10 1qvx h LYS 934 Ca 0.23 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1qvx h LYS 934 Cb 0.15 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1qvx h LYS 934 CO -0.17 0.32 -0.53 0.00 -1.08 0.00 0.00 179.45 177.99 1qvx h ALA 935 N 1.32 0.73 0.00 3.86 0.00 0.18 -2.22 119.26 123.13 1qvx h ALA 935 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 935 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qvx h ALA 935 CO -0.20 0.66 -0.03 -0.24 0.00 0.00 0.00 179.25 179.44 1qvx h VAL 936 N 0.00 0.00 0.00 0.00 3.04 0.16 -2.31 116.25 117.14 1qvx h VAL 936 Ca -0.01 -0.58 -0.08 0.00 -1.01 0.00 0.00 66.70 65.03 1qvx h VAL 936 Cb 1.28 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1qvx h VAL 936 CO 0.07 0.00 -0.37 0.40 -1.01 0.00 0.00 177.57 176.66 1qvx h ILE 937 N 0.00 1.07 -0.25 3.17 1.08 0.18 -0.07 117.51 122.69 1qvx h ILE 937 Ca 0.00 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1qvx h ILE 937 Cb 0.79 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 1qvx h ILE 937 CO 0.00 0.36 0.12 -0.33 -0.69 0.00 0.00 178.15 177.61 1qvx h GLU 938 N 0.00 0.36 -0.90 2.37 4.39 -1.07 0.74 114.58 120.48 1qvx h GLU 938 Ca -0.00 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1qvx h GLU 938 Cb 0.74 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 1qvx h GLU 938 CO 0.05 0.37 0.58 1.98 -1.16 0.00 0.00 179.01 180.83 1qvx h MET 939 N 0.27 0.96 -0.51 2.33 4.05 -1.27 0.66 114.93 121.43 1qvx h MET 939 Ca 0.09 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1qvx h MET 939 Cb 0.13 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1qvx h MET 939 CO -0.01 0.63 -0.11 0.77 0.23 0.00 0.00 176.91 178.42 1qvx h SER 940 N 0.99 0.97 0.02 1.39 0.02 -0.31 -0.75 113.55 115.88 1qvx h SER 940 Ca 0.39 -0.36 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1qvx h SER 940 Cb 0.25 -0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.54 1qvx h SER 940 CO -0.15 1.10 -0.80 -1.28 -1.14 0.00 0.00 176.83 174.56 1qvx h SER 941 N 0.83 0.66 -0.31 3.07 0.87 -0.21 -3.03 113.55 115.42 1qvx h SER 941 Ca 0.13 -0.78 0.06 0.00 -1.23 0.00 0.00 61.79 59.98 1qvx h SER 941 Cb 0.67 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.34 1qvx h SER 941 CO 0.05 1.36 -0.39 0.11 -0.53 0.00 0.00 176.83 177.42 1qvx h LYS 942 N 0.04 -0.34 0.00 2.24 1.79 0.36 -2.05 116.57 118.60 1qvx h LYS 942 Ca -0.11 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1qvx h LYS 942 Cb 1.50 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.22 1qvx h LYS 942 CO 0.16 -0.23 -0.17 0.97 -1.08 0.00 0.00 179.45 179.09 1qvx h ILE 943 N -0.36 0.65 0.18 1.86 2.10 -1.16 -1.98 117.51 118.80 1qvx h ILE 943 Ca 0.13 -0.75 0.01 0.00 1.08 0.00 0.00 64.86 65.32 1qvx h ILE 943 Cb 0.58 1.48 -0.04 0.00 -1.09 0.00 0.00 36.82 37.75 1qvx h ILE 943 CO -0.50 0.17 -0.51 1.56 -1.08 0.00 0.00 178.15 177.79 1qvx h GLN 944 N 0.00 -0.75 -0.65 2.19 1.08 -1.24 -2.65 115.11 113.09 1qvx h GLN 944 Ca -0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1qvx h GLN 944 Cb 0.46 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1qvx h GLN 944 CO 0.02 -0.50 0.00 -0.35 -0.95 0.00 0.00 178.83 177.05 1qvx n PRO 945 N -5.50 3.77 -2.53 1.46 -0.04 -1.21 -5.01 135.00 125.93 1qvx n PRO 945 Ca -0.09 -2.90 -0.41 0.00 -0.04 0.00 0.00 63.50 60.06 1qvx n PRO 945 Cb 0.42 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.87 3.38 0.86 0.55 0.00 -0.75 -5.08 121.76 118.85 1qvx s ALA 946 Ca 0.51 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 1qvx s ALA 946 Cb 0.33 -3.33 0.18 0.00 0.00 0.00 0.00 23.12 20.30 1qvx s ALA 946 CO 0.24 -0.14 1.19 -1.25 0.00 0.00 0.00 175.76 175.80 1qvx s PRO 947 N -0.79 1.02 0.38 0.00 0.04 -1.26 -4.91 135.00 129.47 1qvx s PRO 947 Ca 0.47 -0.79 0.14 0.00 0.04 0.00 0.00 61.00 60.85 1qvx s PRO 947 Cb -0.30 -2.06 0.98 0.00 0.04 0.00 0.00 34.50 33.16 1qvx s PRO 947 CO 0.36 -2.04 1.82 -1.00 0.04 0.00 0.00 177.00 176.19 1qvx h PRO 948 N -1.17 0.51 0.00 0.56 0.13 -2.00 0.20 132.00 130.22 1qvx h PRO 948 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1qvx h PRO 948 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qvx h PRO 948 CO 0.37 0.34 0.02 0.93 -0.23 0.00 0.00 178.00 179.43 1qvx h GLU 949 N 0.52 0.00 -0.00 0.86 4.39 -1.99 -0.59 114.58 117.77 1qvx h GLU 949 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1qvx h GLU 949 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1qvx h GLU 949 CO -0.25 0.00 -0.27 0.39 -1.16 0.00 0.00 179.01 177.72 1qvx n GLU 950 N -2.46 4.77 -0.30 2.33 4.71 0.65 -4.18 120.64 126.15 1qvx n GLU 950 Ca -0.02 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.16 57.07 1qvx n GLU 950 Cb 0.06 -0.80 0.11 0.00 -1.01 0.00 0.00 31.44 29.80 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1qvx h TYR 951 N 0.07 1.01 0.07 -0.32 -1.99 -0.56 0.46 116.97 115.70 1qvx h TYR 951 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1qvx h TYR 951 Cb 0.15 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.55 1qvx h TYR 951 CO 0.00 0.58 -0.03 -0.24 -0.00 0.00 0.00 178.16 178.47 1qvx h VAL 952 N 1.04 1.23 -0.30 -2.88 3.04 -1.75 -3.13 116.25 113.52 1qvx h VAL 952 Ca 0.33 -1.42 0.09 0.00 -1.01 0.00 0.00 66.70 64.69 1qvx h VAL 952 Cb 0.01 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1qvx h VAL 952 CO -0.12 0.33 0.26 -0.65 -1.01 0.00 0.00 177.57 176.39 1qvx h PRO 953 N -0.77 0.00 -0.33 4.17 0.11 -1.70 0.09 132.00 133.57 1qvx h PRO 953 Ca -0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1qvx h PRO 953 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1qvx h PRO 953 CO 0.01 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 177.63 1qvx h MET 954 N 0.00 0.70 0.00 1.05 -0.00 -0.11 -2.03 114.93 114.55 1qvx h MET 954 Ca 0.14 -0.31 -0.06 0.00 -0.00 0.00 0.00 59.70 59.47 1qvx h MET 954 Cb 0.66 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 1qvx h MET 954 CO -0.00 0.91 -0.27 0.28 -0.00 0.00 0.00 176.91 177.84 1qvx h VAL 955 N 0.47 0.67 -0.71 -0.10 2.07 -1.36 -2.46 116.25 114.82 1qvx h VAL 955 Ca 0.07 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1qvx h VAL 955 Cb 0.71 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1qvx h VAL 955 CO 0.05 0.26 0.40 0.50 0.02 0.00 0.00 177.57 178.80 1qvx h LYS 956 N 0.00 0.71 -0.45 1.57 3.64 -0.33 0.30 116.57 122.01 1qvx h LYS 956 Ca -0.00 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1qvx h LYS 956 Cb 0.77 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1qvx h LYS 956 CO 0.03 0.47 0.08 0.93 -2.27 0.00 0.00 179.45 178.69 1qvx h GLU 957 N 0.73 0.20 0.00 1.90 4.39 -0.90 -0.41 114.58 120.49 1qvx h GLU 957 Ca 0.32 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1qvx h GLU 957 Cb 0.22 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1qvx h GLU 957 CO -0.19 0.13 -0.06 -0.24 -1.16 0.00 0.00 179.01 177.49 1qvx h VAL 958 N 0.20 0.15 -0.67 3.13 3.04 -1.25 -0.88 116.25 119.98 1qvx h VAL 958 Ca 0.22 -0.63 -0.05 0.00 -1.01 0.00 0.00 66.70 65.23 1qvx h VAL 958 Cb 0.29 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1qvx h VAL 958 CO -0.30 0.05 0.24 1.23 -1.01 0.00 0.00 177.57 177.78 1qvx h GLY 959 N 1.93 1.10 2.00 3.17 0.00 0.11 -1.52 103.07 109.86 1qvx h GLY 959 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1qvx h GLY 959 CO 0.01 0.58 0.00 -0.10 0.00 0.00 0.00 176.54 177.03 1qvx n LEU 960 N -4.37 0.03 0.02 3.11 7.94 -0.37 -1.57 117.00 121.80 1qvx n LEU 960 Ca 0.05 0.51 -0.07 0.00 -1.11 0.00 0.00 56.01 55.38 1qvx n LEU 960 Cb 0.19 -0.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.59 1qvx n LEU 960 CO 0.40 -0.17 0.24 0.00 -1.11 0.00 0.00 177.39 176.76 1qvx h ALA 961 N 2.67 -0.17 0.00 1.96 0.00 -0.22 -1.99 119.26 121.52 1qvx h ALA 961 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qvx h ALA 961 Cb 0.35 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qvx h ALA 961 CO 0.00 -0.19 0.00 1.25 0.00 0.00 0.00 179.25 180.31 1qvx h LEU 962 N -0.98 0.00 0.33 0.00 5.85 -1.52 -2.28 115.31 116.71 1qvx h LEU 962 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1qvx h LEU 962 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 962 CO 0.03 0.00 -0.16 -0.09 -0.34 0.00 0.00 178.44 177.88 1qvx h ARG 963 N 0.00 -0.43 -0.03 1.25 9.65 -1.30 0.13 114.38 123.66 1qvx h ARG 963 Ca 0.00 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1qvx h ARG 963 Cb 0.69 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1qvx h ARG 963 CO 0.00 -0.29 0.08 1.15 2.80 0.00 0.00 179.97 183.72 1qvx h THR 964 N -0.54 0.19 -0.02 0.20 2.02 -1.43 -0.96 112.91 112.37 1qvx h THR 964 Ca -0.05 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.91 1qvx h THR 964 Cb 0.34 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1qvx h THR 964 CO 0.07 0.00 -0.92 0.25 0.37 0.00 0.00 175.52 175.29 1qvx h LEU 965 N 0.00 0.63 -1.60 2.58 5.85 -1.22 -2.57 115.31 118.98 1qvx h LEU 965 Ca 0.01 -0.49 0.17 0.00 0.84 0.00 0.00 57.88 58.42 1qvx h LEU 965 Cb 0.18 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1qvx h LEU 965 CO -0.00 1.28 0.53 0.25 -0.34 0.00 0.00 178.44 180.16 1qvx h LEU 966 N 0.29 0.35 -0.09 2.25 5.85 0.70 0.40 115.31 125.07 1qvx h LEU 966 Ca -0.08 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1qvx h LEU 966 Cb 1.55 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1qvx h LEU 966 CO 0.17 0.17 -0.01 0.00 -0.34 0.00 0.00 178.44 178.43 1qvx h ALA 967 N 1.63 0.07 -0.94 1.25 0.00 -1.38 0.38 119.26 120.28 1qvx h ALA 967 Ca 0.40 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1qvx h ALA 967 Cb 0.99 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1qvx h ALA 967 CO -0.12 -0.47 0.62 1.15 0.00 0.00 0.00 179.25 180.42 1qvx h THR 968 N 0.02 1.21 -0.62 0.00 2.02 -0.95 -1.53 112.91 113.07 1qvx h THR 968 Ca 0.04 -0.43 0.14 0.00 0.77 0.00 0.00 66.41 66.94 1qvx h THR 968 Cb 0.06 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.29 1qvx h THR 968 CO -0.08 0.23 0.43 0.58 0.37 0.00 0.00 175.52 177.04 1qvx h VAL 969 N 1.24 0.78 -0.10 3.16 2.07 0.45 0.13 116.25 123.98 1qvx h VAL 969 Ca 0.35 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.69 1qvx h VAL 969 Cb -0.10 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1qvx h VAL 969 CO -0.09 0.04 -0.43 -0.78 0.02 0.00 0.00 177.57 176.33 1qvx h ASP 970 N 0.20 0.24 0.78 0.57 3.58 0.10 0.51 116.42 122.40 1qvx h ASP 970 Ca 0.30 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1qvx h ASP 970 Cb 0.89 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.88 1qvx h ASP 970 CO -0.05 0.64 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.24 1qvx h GLU 971 N 0.19 -1.01 0.00 0.28 4.39 -0.52 -3.06 114.58 114.85 1qvx h GLU 971 Ca 0.02 0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1qvx h GLU 971 Cb 0.84 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1qvx h GLU 971 CO 0.07 -0.66 -0.09 1.03 -1.16 0.00 0.00 179.01 178.19 1qvx h SER 972 N -1.07 0.00 -0.13 1.42 0.87 -1.18 -3.20 113.55 110.27 1qvx h SER 972 Ca -0.11 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1qvx h SER 972 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1qvx h SER 972 CO 0.18 0.09 0.07 0.25 -0.53 0.00 0.00 176.83 176.88 1qvx h LEU 973 N 0.00 0.16 -1.90 2.23 5.85 0.13 0.91 115.31 122.68 1qvx h LEU 973 Ca -0.00 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1qvx h LEU 973 Cb 0.39 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1qvx h LEU 973 CO 0.01 0.20 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.54 1qvx h PRO 974 N 0.10 0.00 0.00 5.25 0.11 -1.65 -0.81 132.00 135.00 1qvx h PRO 974 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1qvx h PRO 974 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1qvx h PRO 974 CO -0.01 0.12 0.00 0.28 -0.21 0.00 0.00 178.00 178.18 1qvx n VAL 975 N -3.94 0.65 0.06 3.15 0.31 -0.18 -3.37 118.33 115.01 1qvx n VAL 975 Ca -0.02 0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1qvx n VAL 975 Cb 0.21 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.18 -2.26 7.52 6.46 0.23 -1.72 115.31 125.35 1qvx h LEU 976 Ca 0.00 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1qvx h LEU 976 Cb 0.45 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1qvx h LEU 976 CO 0.00 0.36 -0.05 -0.65 -0.62 0.00 0.00 178.44 177.48 1qvx h PRO 977 N -0.82 0.00 0.69 5.25 0.11 -1.60 -1.00 132.00 134.63 1qvx h PRO 977 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1qvx h PRO 977 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1qvx h PRO 977 CO 0.04 0.05 -0.33 0.00 -0.21 0.00 0.00 178.00 177.54 1qvx h ALA 978 N 1.95 -1.03 0.00 -0.75 0.00 -1.56 -3.48 119.26 114.40 1qvx h ALA 978 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 978 Cb 0.21 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1qvx h ALA 978 CO 0.01 -0.96 0.00 0.43 0.00 0.00 0.00 179.25 178.73 1qvx n SER 979 N -5.04 0.00 0.25 0.00 7.64 -0.82 -4.96 113.62 110.69 1qvx n SER 979 Ca -0.12 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.87 1qvx n SER 979 Cb 0.37 0.12 0.41 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.03 -1.09 0.44 2.02 -1.34 -3.17 112.91 109.81 1qvx h THR 980 Ca 0.00 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.48 1qvx h THR 980 Cb 0.00 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 66.61 1qvx h THR 980 CO 0.00 0.00 0.70 -0.74 0.37 0.00 0.00 175.52 175.85 1qvx h HIS 981 N 0.00 0.65 0.57 3.16 2.76 -1.41 0.19 115.15 121.07 1qvx h HIS 981 Ca 0.07 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1qvx h HIS 981 Cb 1.54 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 30.33 1qvx h HIS 981 CO 0.00 0.01 -0.27 0.07 -1.30 0.00 0.00 177.93 176.43 1qvx h ARG 982 N 0.34 -0.74 0.00 5.26 0.11 -1.84 -3.08 114.38 114.44 1qvx h ARG 982 Ca 0.64 0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.75 1qvx h ARG 982 Cb 1.69 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.94 1qvx h ARG 982 CO -0.33 -0.46 -0.08 1.49 0.10 0.00 0.00 179.97 180.69 1qvx h GLU 983 N -0.84 0.05 -0.88 0.08 4.57 -1.10 -3.18 114.58 113.27 1qvx h GLU 983 Ca -0.08 -0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.23 1qvx h GLU 983 Cb 0.62 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.12 1qvx h GLU 983 CO 0.13 0.87 0.44 0.97 -1.18 0.00 0.00 179.01 180.25 1qvx h ILE 984 N -0.76 0.63 -0.01 2.32 2.10 -0.90 0.15 117.51 121.05 1qvx h ILE 984 Ca -0.01 -0.19 -0.09 0.00 1.08 0.00 0.00 64.86 65.65 1qvx h ILE 984 Cb 0.90 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.65 1qvx h ILE 984 CO 0.01 0.10 -0.40 -0.33 -1.08 0.00 0.00 178.15 176.45 1qvx h GLU 985 N 0.56 0.02 0.63 2.19 4.39 -1.61 0.26 114.58 121.02 1qvx h GLU 985 Ca 0.51 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 1qvx h GLU 985 Cb 0.83 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1qvx h GLU 985 CO -0.42 0.42 -0.30 0.00 -1.16 0.00 0.00 179.01 177.54 1qvx h MET 986 N 0.01 -0.82 0.13 2.33 -0.00 -0.67 -3.04 114.93 112.88 1qvx h MET 986 Ca -0.00 0.06 -0.27 0.00 -0.00 0.00 0.00 59.70 59.48 1qvx h MET 986 Cb 0.72 0.19 0.00 0.00 -0.00 0.00 0.00 31.60 32.51 1qvx h MET 986 CO 0.05 -0.51 -1.24 0.00 -0.00 0.00 0.00 176.91 175.22 1qvx h ALA 987 N -0.69 0.10 -0.01 -3.00 0.00 -1.47 -2.82 119.26 111.36 1qvx h ALA 987 Ca -0.09 -0.88 0.03 0.00 0.00 0.00 0.00 54.91 53.97 1qvx h ALA 987 Cb 0.69 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1qvx h ALA 987 CO 0.14 0.97 -0.18 0.37 0.00 0.00 0.00 179.25 180.55 1qvx h GLN 988 N 0.08 -0.27 0.00 0.00 -0.00 -0.57 0.88 115.11 115.22 1qvx h GLN 988 Ca -0.13 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.48 1qvx h GLN 988 Cb 1.96 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.50 1qvx h GLN 988 CO 0.20 -0.18 -0.26 0.87 0.00 0.00 0.00 178.83 179.46 1qvx h LYS 989 N -0.28 0.00 0.12 1.69 1.57 -1.66 -1.91 116.57 116.10 1qvx h LYS 989 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1qvx h LYS 989 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1qvx h LYS 989 CO -0.18 0.26 -0.06 1.25 -0.57 0.00 0.00 179.45 180.15 1qvx h LEU 990 N 0.00 -0.14 -0.21 2.94 5.85 -0.89 -2.01 115.31 120.86 1qvx h LEU 990 Ca -0.00 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1qvx h LEU 990 Cb 0.86 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1qvx h LEU 990 CO 0.03 0.17 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.06 1qvx h LEU 991 N -0.46 -0.57 -0.88 2.25 3.38 0.93 -1.18 115.31 118.78 1qvx h LEU 991 Ca -0.02 0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.28 1qvx h LEU 991 Cb 0.37 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 1qvx h LEU 991 CO 0.03 -0.22 0.37 -1.13 0.09 0.00 0.00 178.44 177.57 1qvx h ASN 992 N -0.19 0.29 0.04 -0.43 -0.73 -1.31 0.40 115.58 113.65 1qvx h ASN 992 Ca 0.12 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1qvx h ASN 992 Cb 0.37 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.11 1qvx h ASN 992 CO -0.32 -0.01 -0.02 0.28 -0.37 0.00 0.00 177.43 177.00 1qvx h SER 993 N 0.39 -0.05 0.37 1.15 0.02 -0.46 -3.14 113.55 111.83 1qvx h SER 993 Ca 0.54 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1qvx h SER 993 Cb 1.02 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1qvx h SER 993 CO -0.53 0.21 -1.78 0.47 -1.14 0.00 0.00 176.83 174.06 1qvx n ASP 994 N -5.00 0.45 0.06 3.07 9.92 -0.76 -2.28 116.55 122.01 1qvx n ASP 994 Ca -0.08 0.20 -0.12 0.00 -0.53 0.00 0.00 54.79 54.25 1qvx n ASP 994 Cb 0.16 0.79 -0.05 0.00 -0.64 0.00 0.00 41.12 41.37 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 -0.99 -0.93 0.64 7.12 -0.39 0.38 115.31 121.15 1qvx h LEU 995 Ca -0.22 0.13 0.15 0.00 0.13 0.00 0.00 57.88 58.06 1qvx h LEU 995 Cb 1.61 0.39 -0.09 0.00 -0.53 0.00 0.00 40.66 42.04 1qvx h LEU 995 CO 0.03 -0.39 0.54 0.00 -0.13 0.00 0.00 178.44 178.49 1qvx h ALA 996 N 0.23 1.45 -0.23 1.25 0.00 -1.61 0.13 119.26 120.47 1qvx h ALA 996 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1qvx h ALA 996 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qvx h ALA 996 CO -0.27 0.01 0.07 0.93 0.00 0.00 0.00 179.25 180.00 1qvx h GLU 997 N 0.77 0.17 -0.06 0.00 4.39 -0.93 0.16 114.58 119.07 1qvx h GLU 997 Ca 0.50 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 60.04 1qvx h GLU 997 Cb 0.67 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1qvx h GLU 997 CO -0.34 0.11 -0.63 1.25 -1.16 0.00 0.00 179.01 178.25 1qvx h LEU 998 N 0.18 0.27 0.53 1.33 5.85 0.96 0.76 115.31 125.19 1qvx h LEU 998 Ca 0.10 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 998 Cb 0.07 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1qvx h LEU 998 CO -0.11 0.83 -0.25 0.40 -0.34 0.00 0.00 178.44 178.97 1qvx h ILE 999 N 0.17 0.42 0.00 4.05 1.08 -0.58 0.17 117.51 122.82 1qvx h ILE 999 Ca -0.01 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1qvx h ILE 999 Cb 1.14 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1qvx h ILE 999 CO 0.10 0.04 0.06 -3.20 -0.69 0.00 0.00 178.15 174.46 1qvx n ASN 1000N -5.33 0.37 0.04 1.72 5.15 0.53 -0.29 115.26 117.46 1qvx n ASN 1000Ca -0.12 0.65 -0.22 0.00 -0.60 0.00 0.00 54.58 54.29 1qvx n ASN 1000Cb 0.32 -0.68 -0.14 0.00 -0.53 0.00 0.00 39.78 38.75 1qvx n ASN 1000CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1qvx h LYS 1001N 0.00 0.34 -0.42 1.20 1.79 0.17 0.70 116.57 120.35 1qvx h LYS 1001Ca 0.00 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 57.87 1qvx h LYS 1001Cb 0.12 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1qvx h LYS 1001CO 0.00 1.28 0.17 0.00 -1.08 0.00 0.00 179.45 179.81 1qvx h MET 1002N 0.05 0.59 0.37 3.15 -0.00 0.27 0.29 114.93 119.65 1qvx h MET 1002Ca -0.37 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.24 1qvx h MET 1002Cb 2.04 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 33.54 1qvx h MET 1002CO 0.13 0.49 -0.18 -0.22 -0.00 0.00 0.00 176.91 177.13 1qvx h LYS 1003N 0.59 -0.48 -0.25 -0.10 3.64 -0.74 -3.08 116.57 116.15 1qvx h LYS 1003Ca 0.14 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1qvx h LYS 1003Cb 0.12 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 1qvx h LYS 1003CO -0.01 -0.21 -0.46 1.25 -2.27 0.00 0.00 179.45 177.74 1qvx h LEU 1004N -1.04 -1.49 -0.16 5.20 6.46 0.12 2.00 115.31 126.39 1qvx h LEU 1004Ca -0.05 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1qvx h LEU 1004Cb 0.49 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1qvx h LEU 1004CO 0.08 -0.42 0.11 0.00 -0.62 0.00 0.00 178.44 177.59 1qvx h ALA 1005N 0.12 0.21 0.00 1.25 0.00 -0.62 0.54 119.26 120.75 1qvx h ALA 1005Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qvx h ALA 1005Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qvx h ALA 1005CO -0.48 -0.31 0.00 1.96 0.00 0.00 0.00 179.25 180.42 1qvx h GLN 1006N 0.22 0.00 0.13 0.00 1.08 -1.23 -2.42 115.11 112.88 1qvx h GLN 1006Ca 0.06 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.92 1qvx h GLN 1006Cb -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1qvx h GLN 1006CO -0.01 0.00 -1.77 0.37 -0.95 0.00 0.00 178.83 176.47 1qvx h GLN 1007N 0.00 0.28 -0.00 1.46 5.75 0.39 -3.34 115.11 119.65 1qvx h GLN 1007Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1qvx h GLN 1007Cb 0.73 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1qvx h GLN 1007CO 0.00 1.16 -0.14 0.98 -2.65 0.00 0.00 178.83 178.17 1qvx n TYR 1008N -3.47 0.00 -1.03 3.99 9.36 0.18 -4.90 117.16 121.29 1qvx n TYR 1008Ca -0.24 0.00 -0.48 0.00 3.32 0.00 0.00 57.90 60.50 1qvx n TYR 1008Cb 1.06 -0.36 -0.10 0.00 -0.63 0.00 0.00 39.34 39.31 1qvx n TYR 1008CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1qvx n VAL 1009N -1.38 0.00 0.00 2.97 0.31 -0.92 -4.86 118.33 114.45 1qvx n VAL 1009Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1qvx n VAL 1009Cb 0.32 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1qvx n VAL 1009CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1qvx n MET 1010N 6.16 0.00 0.00 5.55 0.00 -1.26 -5.08 117.12 122.49 1qvx n MET 1010Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.15 1qvx n MET 1010Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 33.22 32.97 1qvx n MET 1010CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1qvx n THR 1011N -1.95 0.00 0.00 1.12 5.66 -1.26 -5.00 114.28 112.85 1qvx n THR 1011Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qvx n THR 1011Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 0.00 1.09 7.64 -1.26 -4.43 113.62 116.66 1qvx n SER 1012Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1qvx n SER 1012Cb 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.44 1qvx n SER 1012CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qvx n LEU 1013N 0.00 0.00 -0.28 -3.43 4.77 -1.26 -3.36 117.00 113.44 1qvx n LEU 1013Ca 0.00 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 1qvx n LEU 1013Cb 0.00 -0.25 0.20 0.00 -2.33 0.00 0.00 43.42 41.05 1qvx n LEU 1013CO 0.00 -0.17 1.06 -0.61 -1.33 0.00 0.00 177.39 176.34 1qvx h GLN 1014N 0.00 0.53 -0.94 3.23 -0.00 -1.94 -0.98 115.11 115.01 1qvx h GLN 1014Ca 0.00 -0.03 0.22 0.00 -0.00 0.00 0.00 58.65 58.83 1qvx h GLN 1014Cb 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.36 1qvx h GLN 1014CO 0.00 0.35 0.62 0.37 0.00 0.00 0.00 178.83 180.17 1qvx h GLN 1015N 0.54 0.41 0.64 1.69 5.75 -1.95 0.31 115.11 122.50 1qvx h GLN 1015Ca 0.43 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.89 1qvx h GLN 1015Cb 0.63 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1qvx h GLN 1015CO -0.37 0.27 -0.49 1.49 -2.65 0.00 0.00 178.83 177.08 1qvx h GLU 1016N 0.42 -1.05 -1.00 1.69 4.57 -1.45 -1.37 114.58 116.38 1qvx h GLU 1016Ca 0.50 0.07 0.22 0.00 -1.18 0.00 0.00 59.36 58.97 1qvx h GLU 1016Cb 1.23 0.24 -0.11 0.00 -0.16 0.00 0.00 28.75 29.95 1qvx h GLU 1016CO -0.21 -0.70 0.61 1.88 -1.18 0.00 0.00 179.01 179.42 1qvx h TYR 1017N -1.09 0.99 -0.15 0.92 0.05 -0.53 0.31 116.97 117.46 1qvx h TYR 1017Ca -0.08 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1qvx h TYR 1017Cb 0.91 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1qvx h TYR 1017CO -0.18 0.15 0.05 -0.22 -1.05 0.00 0.00 178.16 176.91 1qvx h LYS 1018N 0.65 0.20 -0.17 4.88 3.64 -0.41 -2.54 116.57 122.83 1qvx h LYS 1018Ca 0.60 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.98 1qvx h LYS 1018Cb 1.09 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1qvx h LYS 1018CO -0.40 0.19 0.05 0.87 -2.27 0.00 0.00 179.45 177.89 1qvx h LYS 1019N 0.21 0.13 -0.82 1.90 1.57 0.75 0.91 116.57 121.21 1qvx h LYS 1019Ca 0.05 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1qvx h LYS 1019Cb 0.07 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 1qvx h LYS 1019CO -0.00 0.08 0.40 1.96 -0.57 0.00 0.00 179.45 181.32 1qvx h GLN 1020N 0.13 0.55 -0.12 3.15 1.08 -1.39 0.38 115.11 118.89 1qvx h GLN 1020Ca 0.07 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1qvx h GLN 1020Cb 0.05 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1qvx h GLN 1020CO -0.08 0.37 0.02 1.98 -0.95 0.00 0.00 178.83 180.16 1qvx h MET 1021N 0.57 0.20 -0.18 1.46 4.05 -1.14 -2.26 114.93 117.63 1qvx h MET 1021Ca 0.45 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.75 1qvx h MET 1021Cb 0.65 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1qvx h MET 1021CO -0.37 0.39 -0.20 1.25 0.23 0.00 0.00 176.91 178.21 1qvx h LEU 1022N -0.03 0.31 -0.13 3.39 5.85 0.06 0.24 115.31 125.00 1qvx h LEU 1022Ca 0.04 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1qvx h LEU 1022Cb 0.29 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1qvx h LEU 1022CO 0.00 0.52 -0.08 0.74 -0.34 0.00 0.00 178.44 179.28 1qvx h THR 1023N 0.29 1.33 -0.41 1.05 2.02 -0.92 -1.99 112.91 114.28 1qvx h THR 1023Ca 0.05 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 1qvx h THR 1023Cb 0.52 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1qvx h THR 1023CO 0.03 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.27 1qvx h ALA 1024N 0.64 1.25 -0.75 6.16 0.00 -0.99 -0.52 119.26 125.04 1qvx h ALA 1024Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qvx h ALA 1024Cb 0.57 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1qvx h ALA 1024CO 0.02 0.50 0.45 0.00 0.00 0.00 0.00 179.25 180.23 1qvx h ALA 1025N 1.39 0.96 -0.14 0.00 0.00 -0.47 0.06 119.26 121.07 1qvx h ALA 1025Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1qvx h ALA 1025Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qvx h ALA 1025CO 0.01 0.43 -0.41 1.25 0.00 0.00 0.00 179.25 180.53 1qvx h HIS 1026N 1.03 0.36 -0.25 0.00 2.76 -0.77 -0.37 115.15 117.92 1qvx h HIS 1026Ca 0.27 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1qvx h HIS 1026Cb -0.04 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1qvx h HIS 1026CO -0.01 0.68 0.09 0.00 -1.30 0.00 0.00 177.93 177.39 1qvx h ALA 1027N 1.31 0.32 -0.29 5.26 0.00 -0.45 -0.20 119.26 125.21 1qvx h ALA 1027Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qvx h ALA 1027Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1qvx h ALA 1027CO 0.07 -0.08 0.18 1.25 0.00 0.00 0.00 179.25 180.67 1qvx h LEU 1028N 0.24 0.31 -1.77 0.00 5.85 -0.75 0.13 115.31 119.32 1qvx h LEU 1028Ca 0.08 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.94 1qvx h LEU 1028Cb 0.19 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1qvx h LEU 1028CO -0.01 0.23 0.44 0.00 -0.34 0.00 0.00 178.44 178.76 1qvx h ALA 1029N 1.12 2.27 -0.21 1.25 0.00 -0.88 0.69 119.26 123.50 1qvx h ALA 1029Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1qvx h ALA 1029Cb -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qvx h ALA 1029CO -0.04 -0.45 -0.66 0.28 0.00 0.00 0.00 179.25 178.39 1qvx h VAL 1030N 0.23 1.28 -0.37 0.00 2.07 0.57 -0.66 116.25 119.37 1qvx h VAL 1030Ca 0.31 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 66.01 1qvx h VAL 1030Cb 0.89 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1qvx h VAL 1030CO -0.06 0.59 0.17 0.44 0.02 0.00 0.00 177.57 178.73 1qvx h ASP 1031N 0.58 0.23 -0.99 0.57 3.32 0.97 0.38 116.42 121.47 1qvx h ASP 1031Ca -0.02 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.22 1qvx h ASP 1031Cb 1.28 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 1qvx h ASP 1031CO 0.14 0.17 0.62 0.00 -1.72 0.00 0.00 179.24 178.45 1qvx h ALA 1032N 1.21 1.66 -0.13 3.45 0.00 0.34 0.19 119.26 125.98 1qvx h ALA 1032Ca 0.16 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1qvx h ALA 1032Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qvx h ALA 1032CO -0.13 0.02 -0.61 -0.22 0.00 0.00 0.00 179.25 178.32 1qvx h LYS 1033N 0.82 0.44 0.21 0.00 3.64 0.73 0.49 116.57 122.90 1qvx h LYS 1033Ca 0.53 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1qvx h LYS 1033Cb 0.75 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1qvx h LYS 1033CO -0.31 0.91 -0.10 -0.97 -2.27 0.00 0.00 179.45 176.71 1qvx h ASN 1034N 0.33 -0.24 0.23 4.20 -1.24 0.36 -2.89 115.58 116.33 1qvx h ASN 1034Ca -0.01 -0.29 -0.04 0.00 0.71 0.00 0.00 56.30 56.68 1qvx h ASN 1034Cb 1.15 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 1qvx h ASN 1034CO 0.11 0.25 -0.17 0.25 -1.29 0.00 0.00 177.43 176.57 1qvx h LEU 1035N -0.82 0.00 -0.76 0.34 5.85 -1.01 0.66 115.31 119.57 1qvx h LEU 1035Ca -0.03 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1qvx h LEU 1035Cb 0.51 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 1qvx h LEU 1035CO 0.05 0.17 0.30 0.25 -0.34 0.00 0.00 178.44 178.87 1qvx h LEU 1036N 0.00 0.28 0.00 2.25 5.85 -0.84 -0.20 115.31 122.65 1qvx h LEU 1036Ca -0.00 0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.62 1qvx h LEU 1036Cb 0.33 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1qvx h LEU 1036CO 0.02 0.10 -1.59 -0.67 -0.34 0.00 0.00 178.44 175.96 1qvx n ASP 1037N -5.00 0.75 0.31 1.25 2.03 -0.14 -2.48 116.55 113.26 1qvx n ASP 1037Ca 0.14 0.34 -0.17 0.00 0.52 0.00 0.00 54.79 55.62 1qvx n ASP 1037Cb 0.42 0.25 -0.09 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 0.22 0.00 5.18 2.07 0.90 0.49 116.25 125.11 1qvx h VAL 1038Ca -0.22 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.10 1qvx h VAL 1038Cb 1.72 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1qvx h VAL 1038CO 0.05 0.00 -1.27 0.16 0.02 0.00 0.00 177.57 176.53 1qvx h ILE 1039N -0.89 0.83 -0.82 4.57 3.07 -1.24 0.76 117.51 123.79 1qvx h ILE 1039Ca -0.06 -2.43 0.19 0.00 1.55 0.00 0.00 64.86 64.11 1qvx h ILE 1039Cb 0.75 2.32 -0.15 0.00 -0.27 0.00 0.00 36.82 39.46 1qvx h ILE 1039CO 0.03 0.47 -0.07 -0.78 -1.05 0.00 0.00 178.15 176.74 1qvx h ASP 1040N 0.00 -0.53 1.47 2.16 1.82 -1.52 0.87 116.42 120.69 1qvx h ASP 1040Ca -0.15 0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 1qvx h ASP 1040Cb 1.69 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 42.12 1qvx h ASP 1040CO 0.07 -0.25 -0.35 -0.61 -1.61 0.00 0.00 179.24 176.49 1qvx h GLN 1041N 0.05 0.00 -0.40 0.28 4.15 0.44 -2.48 115.11 117.14 1qvx h GLN 1041Ca 0.44 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.91 1qvx h GLN 1041Cb 0.77 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.41 1qvx h GLN 1041CO -0.78 0.35 0.14 0.00 -1.93 0.00 0.00 178.83 176.60 1qvx h ALA 1042N 1.65 0.47 0.00 3.38 0.00 0.29 2.47 119.26 127.52 1qvx h ALA 1042Ca -0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1qvx h ALA 1042Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qvx h ALA 1042CO 0.05 -0.25 -0.36 0.00 0.00 0.00 0.00 179.25 178.68 1qvx h ARG 1043N 0.29 0.00 0.00 0.00 2.47 -1.27 -2.75 114.38 113.12 1qvx h ARG 1043Ca 0.19 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.73 1qvx h ARG 1043Cb 0.18 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1qvx h ARG 1043CO -0.20 0.36 -0.85 1.25 0.56 0.00 0.00 179.97 181.10 1qvx h LEU 1044N 0.00 0.00 -1.04 3.04 5.85 -0.91 -2.83 115.31 119.42 1qvx h LEU 1044Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1qvx h LEU 1044Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1qvx h LEU 1044CO 0.05 0.85 -0.33 0.07 -0.34 0.00 0.00 178.44 178.74 1qvx h LYS 1045N 0.00 0.00 0.00 1.25 5.09 0.43 0.23 116.57 123.56 1qvx h LYS 1045Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.60 1qvx h LYS 1045Cb 1.57 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.88 1qvx h LYS 1045CO 0.11 0.33 -0.60 1.98 -2.09 0.00 0.00 179.45 179.17 1qvx h MET 1046N 0.00 0.00 -0.11 0.07 4.05 -1.34 -1.34 114.93 116.26 1qvx h MET 1046Ca -0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 1qvx h MET 1046Cb 0.82 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1qvx h MET 1046CO 0.04 0.60 -0.47 0.82 0.23 0.00 0.00 176.91 178.14 1qvx h ILE 1047N 0.00 1.33 -0.09 1.77 1.08 -0.93 -2.20 117.51 118.47 1qvx h ILE 1047Ca -0.01 -1.66 0.03 0.00 -0.39 0.00 0.00 64.86 62.83 1qvx h ILE 1047Cb 1.16 1.77 -0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1qvx h ILE 1047CO 0.08 0.50 0.14 0.28 -0.69 0.00 0.00 178.15 178.46 1qvx h SER 1048N 0.21 0.00 0.19 1.72 0.02 0.46 0.63 113.55 116.80 1qvx h SER 1048Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1qvx h SER 1048Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1qvx h SER 1048CO 0.07 0.00 -0.09 1.56 -1.14 0.00 0.00 176.83 177.23 1qvx h GLN 1049N 0.00 -0.25 0.82 3.45 4.20 -0.71 -3.35 115.11 119.27 1qvx h GLN 1049Ca 0.04 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1qvx h GLN 1049Cb 0.33 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.17 1qvx h GLN 1049CO -0.00 0.14 -0.39 0.77 -0.67 0.00 0.00 178.83 178.67 1qvx h SER 1050N -0.74 -0.93 0.00 1.46 0.02 -1.23 -3.48 113.55 108.65 1qvx h SER 1050Ca -0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qvx h SER 1050Cb 0.50 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1qvx h SER 1050CO 0.04 -0.58 0.00 0.54 -1.14 0.00 0.00 176.83 175.69 1qvx n ARG 1051N -5.51 0.00 -2.54 3.45 1.74 0.21 -4.92 116.66 109.09 1qvx n ARG 1051Ca -0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 1qvx n ARG 1051Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 1qvx n ARG 1051CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1qvx s PRO 1052N 0.00 3.26 0.00 5.56 0.05 -1.26 -4.93 135.00 137.67 1qvx s PRO 1052Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 61.00 60.65 1qvx s PRO 1052Cb 0.00 -4.42 0.00 0.00 0.05 0.00 0.00 34.50 30.13 1qvx s PRO 1052CO 0.00 -2.18 0.00 1.58 0.05 0.00 0.00 177.00 176.45