#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqp h SER 912 N 0.00 -0.42 -3.36 1.61 0.02 -2.14 -3.41 113.55 105.85 2cqp h SER 912 Ca 0.00 0.02 -0.54 0.00 -0.84 0.00 0.00 61.79 60.44 2cqp h SER 912 Cb 0.00 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2cqp h SER 912 CO 0.00 -0.27 0.42 -0.44 -1.14 0.00 0.00 176.83 175.40 2cqp s SER 913 N -4.82 7.29 0.29 3.07 0.01 -1.26 -5.04 113.70 113.25 2cqp s SER 913 Ca -0.15 1.77 0.03 0.00 1.31 0.00 0.00 55.95 58.91 2cqp s SER 913 Cb 0.05 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2cqp s SER 913 CO 0.64 -0.31 0.16 -0.83 0.41 0.00 0.00 173.24 173.32 2cqp s GLY 914 N 0.94 1.97 -0.44 3.44 0.00 -1.26 -5.12 107.32 106.85 2cqp s GLY 914 Ca 0.53 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 2cqp s GLY 914 CO 0.29 -1.54 0.29 -0.45 0.00 0.00 0.00 173.10 171.68 2cqp s SER 915 N -3.33 5.63 -0.54 1.64 0.15 -1.26 -5.03 113.70 110.95 2cqp s SER 915 Ca 0.37 -1.71 -0.26 0.00 0.70 0.00 0.00 55.95 55.05 2cqp s SER 915 Cb 0.05 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 2cqp s SER 915 CO 0.18 -0.60 2.23 -0.55 1.20 0.00 0.00 173.24 175.70 2cqp s SER 916 N 2.31 4.69 1.00 5.45 0.15 -1.26 -4.93 113.70 121.11 2cqp s SER 916 Ca 0.04 0.81 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 2cqp s SER 916 Cb -0.24 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.66 2cqp s SER 916 CO 0.00 -2.74 0.54 0.61 1.20 0.00 0.00 173.24 172.85 2cqp n GLY 917 N 5.93 -1.78 3.53 9.45 0.00 -1.26 -4.95 105.19 116.12 2cqp n GLY 917 Ca 0.32 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2cqp n GLY 917 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqp s ALA 918 N -2.42 3.47 -0.20 4.61 0.00 -1.26 -4.94 121.76 121.03 2cqp s ALA 918 Ca 0.60 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 2cqp s ALA 918 Cb -0.20 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2cqp s ALA 918 CO 0.65 -1.24 -0.17 0.45 0.00 0.00 0.00 175.76 175.44 2cqp n SER 919 N 5.50 1.89 -4.57 0.00 2.88 -1.26 -4.83 113.62 113.24 2cqp n SER 919 Ca -0.08 0.43 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 2cqp n SER 919 Cb 0.49 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 63.07 2cqp n SER 919 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqp s SER 920 N -6.51 5.46 0.00 -3.46 0.01 -1.26 -4.40 113.70 103.54 2cqp s SER 920 Ca -0.28 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2cqp s SER 920 Cb 0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2cqp s SER 920 CO 0.43 -2.16 0.00 0.61 0.41 0.00 0.00 173.24 172.53 2cqp n GLY 921 N 5.60 0.41 3.46 3.44 0.00 -1.26 -5.09 105.19 111.75 2cqp n GLY 921 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2cqp n GLY 921 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqp s LYS 922 N 1.05 1.66 -1.15 1.61 -0.14 -1.26 -5.05 119.74 116.46 2cqp s LYS 922 Ca 0.00 -1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 52.89 2cqp s LYS 922 Cb 0.00 -1.91 -0.08 0.00 -1.68 0.00 0.00 37.83 34.16 2cqp s LYS 922 CO 0.00 0.40 1.94 -1.25 -0.76 0.00 0.00 175.35 175.68 2cqp s PRO 923 N -2.79 2.51 0.00 -1.68 0.04 -1.26 -4.76 135.00 127.05 2cqp s PRO 923 Ca 0.23 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.21 2cqp s PRO 923 Cb -0.08 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2cqp s PRO 923 CO 0.12 -3.90 0.00 0.41 0.04 0.00 0.00 177.00 173.66 2cqp n GLY 924 N 5.94 4.14 3.69 0.56 0.00 -1.26 -5.17 105.19 113.08 2cqp n GLY 924 Ca 0.44 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2cqp n GLY 924 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 925 N 2.34 0.61 -0.14 1.61 0.04 -1.26 -5.02 135.00 133.18 2cqp s PRO 925 Ca 0.00 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 2cqp s PRO 925 Cb 0.00 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2cqp s PRO 925 CO 0.00 -2.62 0.48 0.99 0.04 0.00 0.00 177.00 175.88 2cqp s THR 926 N -2.96 5.18 -0.21 1.26 2.01 -0.03 -4.83 115.64 116.05 2cqp s THR 926 Ca 0.65 0.93 -0.10 0.00 0.31 0.00 0.00 61.69 63.48 2cqp s THR 926 Cb -0.18 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2cqp s THR 926 CO 0.57 0.30 0.13 -0.63 -0.69 0.00 0.00 174.62 174.30 2cqp s ILE 927 N 0.85 5.26 -0.01 1.82 -1.09 -1.26 0.12 121.20 126.88 2cqp s ILE 927 Ca 0.25 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2cqp s ILE 927 Cb -0.15 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2cqp s ILE 927 CO 0.10 0.41 0.06 -0.63 -1.23 0.00 0.00 174.94 173.65 2cqp s ILE 928 N 0.60 4.57 -0.16 2.92 1.01 0.31 0.32 121.20 130.77 2cqp s ILE 928 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 2cqp s ILE 928 Cb -0.12 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2cqp s ILE 928 CO 0.00 0.36 -0.06 -0.75 0.00 0.00 0.00 174.94 174.50 2cqp s LYS 929 N -1.67 3.53 -0.18 2.79 2.20 -0.86 -1.96 119.74 123.59 2cqp s LYS 929 Ca 0.22 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 55.19 2cqp s LYS 929 Cb -0.12 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2cqp s LYS 929 CO 0.13 0.13 -0.00 0.08 -0.36 0.00 0.00 175.35 175.32 2cqp s VAL 930 N 0.64 4.10 0.27 4.02 1.01 0.14 -1.80 120.40 128.78 2cqp s VAL 930 Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2cqp s VAL 930 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2cqp s VAL 930 CO 0.02 0.46 0.07 -1.58 0.00 0.00 0.00 175.10 174.08 2cqp s GLN 931 N 0.63 1.46 -0.95 2.72 -0.44 -0.28 -1.81 119.66 120.98 2cqp s GLN 931 Ca -0.00 -1.79 -0.02 0.00 -2.50 0.00 0.00 55.36 51.05 2cqp s GLN 931 Cb -0.14 -0.46 -0.03 0.00 -1.64 0.00 0.00 33.01 30.74 2cqp s GLN 931 CO 0.02 -0.24 0.81 -1.71 0.50 0.00 0.00 175.29 174.67 2cqp n ASN 932 N -0.51 -3.87 -4.19 6.67 4.05 -1.19 -0.44 115.26 115.79 2cqp n ASN 932 Ca -0.01 -0.56 -0.33 0.00 0.45 0.00 0.00 54.58 54.13 2cqp n ASN 932 Cb 0.66 -4.45 -0.16 0.00 1.23 0.00 0.00 39.78 37.06 2cqp n ASN 932 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2cqp s MET 933 N -4.69 3.08 0.97 1.20 -1.94 -0.91 -3.75 119.30 113.26 2cqp s MET 933 Ca 0.18 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.22 2cqp s MET 933 Cb -0.02 -2.50 0.17 0.00 2.01 0.00 0.00 34.83 34.49 2cqp s MET 933 CO 0.62 -0.02 1.09 -1.25 -0.01 0.00 0.00 175.02 175.46 2cqp s PRO 934 N 0.84 0.63 0.46 2.03 0.04 -1.26 -3.80 135.00 133.93 2cqp s PRO 934 Ca -0.06 0.59 0.20 0.00 0.04 0.00 0.00 61.00 61.78 2cqp s PRO 934 Cb -0.15 -1.75 1.10 0.00 0.04 0.00 0.00 34.50 33.73 2cqp s PRO 934 CO -0.02 -2.61 1.96 0.74 0.04 0.00 0.00 177.00 177.11 2cqp h PHE 935 N -1.81 0.00 -0.03 0.56 0.04 -1.99 -2.41 116.94 111.29 2cqp h PHE 935 Ca -0.53 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.25 2cqp h PHE 935 Cb 1.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 2cqp h PHE 935 CO 0.33 0.22 0.03 1.79 -0.60 0.00 0.00 178.31 180.07 2cqp h THR 936 N 0.00 0.78 -3.72 -1.55 1.35 -1.99 -3.43 112.91 104.35 2cqp h THR 936 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.30 2cqp h THR 936 Cb 0.47 0.98 0.13 0.00 -1.73 0.00 0.00 68.15 68.01 2cqp h THR 936 CO 0.03 0.00 0.49 0.52 -0.25 0.00 0.00 175.52 176.31 2cqp n VAL 937 N -4.23 3.09 -4.09 6.82 0.31 -0.91 -5.02 118.33 114.30 2cqp n VAL 937 Ca -0.02 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.70 2cqp n VAL 937 Cb 0.12 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 2cqp n VAL 937 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2cqp s SER 938 N -0.73 0.21 0.24 4.52 0.01 -1.26 -5.02 113.70 111.66 2cqp s SER 938 Ca 0.66 -1.21 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 2cqp s SER 938 Cb -0.47 0.53 0.32 0.00 0.21 0.00 0.00 66.02 66.61 2cqp s SER 938 CO 0.54 -1.06 1.85 0.40 0.41 0.00 0.00 173.24 175.38 2cqp h ILE 939 N 2.36 1.03 -0.34 1.44 2.04 -1.99 0.37 117.51 122.42 2cqp h ILE 939 Ca -0.30 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2cqp h ILE 939 Cb 1.25 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2cqp h ILE 939 CO 0.42 0.17 0.14 0.44 0.00 0.00 0.00 178.15 179.32 2cqp h ASP 940 N 0.93 0.46 -0.58 1.72 5.19 -1.99 -1.26 116.42 120.90 2cqp h ASP 940 Ca 0.37 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 2cqp h ASP 940 Cb 0.18 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 2cqp h ASP 940 CO -0.18 0.49 0.21 -0.33 -3.12 0.00 0.00 179.24 176.32 2cqp h GLU 941 N 0.41 0.88 -0.04 3.56 4.39 -1.82 -1.70 114.58 120.26 2cqp h GLU 941 Ca 0.11 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2cqp h GLU 941 Cb 0.17 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2cqp h GLU 941 CO -0.01 0.77 0.03 0.82 -1.16 0.00 0.00 179.01 179.45 2cqp h ILE 942 N 0.80 1.05 -0.83 3.13 2.04 -0.77 0.26 117.51 123.19 2cqp h ILE 942 Ca 0.19 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2cqp h ILE 942 Cb 0.23 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2cqp h ILE 942 CO -0.01 0.04 0.54 -0.07 0.00 0.00 0.00 178.15 178.65 2cqp h LEU 943 N 0.01 0.90 -0.76 1.44 3.38 -1.12 -1.72 115.31 117.43 2cqp h LEU 943 Ca 0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2cqp h LEU 943 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2cqp h LEU 943 CO -0.00 0.63 -0.56 -0.78 0.09 0.00 0.00 178.44 177.82 2cqp h ASP 944 N 1.06 0.19 -0.69 -0.43 1.82 -1.05 -2.98 116.42 114.34 2cqp h ASP 944 Ca 0.33 -0.10 -0.06 0.00 -0.39 0.00 0.00 57.03 56.80 2cqp h ASP 944 Cb -0.02 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 2cqp h ASP 944 CO -0.10 0.71 0.18 0.15 -1.61 0.00 0.00 179.24 178.57 2cqp h PHE 945 N 0.13 1.14 -0.26 0.28 3.57 0.36 -2.02 116.94 120.15 2cqp h PHE 945 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2cqp h PHE 945 Cb 1.03 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2cqp h PHE 945 CO 0.01 0.93 0.00 1.19 -2.23 0.00 0.00 178.31 178.21 2cqp n PHE 946 N -4.28 0.53 -1.57 0.41 3.72 -0.75 -4.95 117.46 110.57 2cqp n PHE 946 Ca 0.05 -0.22 -0.40 0.00 -0.05 0.00 0.00 57.45 56.83 2cqp n PHE 946 Cb 0.25 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2cqp n PHE 946 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2cqp n TYR 947 N 0.29 0.60 0.00 1.38 9.36 -0.76 -2.30 117.16 125.73 2cqp n TYR 947 Ca 0.10 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.83 2cqp n TYR 947 Cb 0.38 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 2cqp n TYR 947 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2cqp n GLY 948 N 1.37 2.79 3.87 2.98 0.00 -1.26 -5.01 105.19 109.93 2cqp n GLY 948 Ca 0.11 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2cqp n GLY 948 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cqp s TYR 949 N -1.58 3.60 -0.89 1.61 2.02 -0.97 -5.02 117.35 116.12 2cqp s TYR 949 Ca 0.00 0.55 -0.25 0.00 -0.37 0.00 0.00 57.07 57.00 2cqp s TYR 949 Cb 0.00 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2cqp s TYR 949 CO 0.00 0.71 1.88 -0.65 -1.57 0.00 0.00 175.55 175.92 2cqp s GLN 950 N -0.95 2.67 -0.17 -0.62 -0.21 -1.26 -4.94 119.66 114.17 2cqp s GLN 950 Ca 0.15 -0.30 -0.24 0.00 0.02 0.00 0.00 55.36 54.99 2cqp s GLN 950 Cb -0.12 -5.03 -0.02 0.00 1.00 0.00 0.00 33.01 28.84 2cqp s GLN 950 CO 0.04 -3.20 0.75 0.08 -2.12 0.00 0.00 175.29 170.84 2cqp s VAL 951 N 9.45 4.94 0.12 1.09 1.01 -1.26 -4.62 120.40 131.12 2cqp s VAL 951 Ca 0.67 1.46 -0.35 0.00 0.00 0.00 0.00 61.98 63.76 2cqp s VAL 951 Cb -0.06 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 2cqp s VAL 951 CO 0.00 0.07 1.48 -0.38 0.00 0.00 0.00 175.10 176.27 2cqp n ILE 952 N 4.64 0.02 -2.21 2.22 5.41 -1.14 -4.90 119.36 123.39 2cqp n ILE 952 Ca 0.02 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 2cqp n ILE 952 Cb 0.49 -1.22 -0.03 0.00 -0.71 0.00 0.00 39.64 38.18 2cqp n ILE 952 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2cqp s PRO 953 N 0.82 4.37 0.00 0.38 0.04 -1.26 -2.59 135.00 136.75 2cqp s PRO 953 Ca 0.82 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2cqp s PRO 953 Cb -0.81 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2cqp s PRO 953 CO 0.43 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.55 2cqp n GLY 954 N 2.85 1.27 0.12 0.56 0.00 -1.26 -4.91 105.19 103.82 2cqp n GLY 954 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2cqp n GLY 954 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cqp h SER 955 N 0.00 -0.15 0.00 1.61 4.64 -1.86 -3.44 113.55 114.35 2cqp h SER 955 Ca 0.00 -0.41 -0.59 0.00 -0.47 0.00 0.00 61.79 60.32 2cqp h SER 955 Cb 0.00 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 2cqp h SER 955 CO 0.00 0.41 1.14 0.52 -0.87 0.00 0.00 176.83 178.03 2cqp n VAL 956 N -4.90 0.00 -4.00 0.95 0.31 -1.25 -4.59 118.33 104.85 2cqp n VAL 956 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.94 2cqp n VAL 956 Cb 0.27 -0.41 -0.15 0.00 -0.91 0.00 0.00 33.84 32.64 2cqp n VAL 956 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cqp s LEU 958 N 1.20 4.53 -0.05 0.00 1.43 -1.26 -1.45 118.68 123.07 2cqp s LEU 958 Ca -0.04 2.09 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 2cqp s LEU 958 Cb -0.19 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2cqp s LEU 958 CO -0.07 -0.06 0.36 -0.54 0.23 0.00 0.00 176.35 176.27 2cqp s LYS 959 N -1.51 3.93 0.15 1.70 1.02 -0.83 -4.99 119.74 119.21 2cqp s LYS 959 Ca 0.45 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.78 2cqp s LYS 959 Cb -0.28 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2cqp s LYS 959 CO 0.35 0.60 -0.12 0.71 -0.92 0.00 0.00 175.35 175.97 2cqp s TYR 960 N -0.72 1.34 0.63 3.18 2.02 -1.26 -2.22 117.35 120.32 2cqp s TYR 960 Ca 0.22 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 2cqp s TYR 960 Cb -0.15 -0.68 0.10 0.00 -0.40 0.00 0.00 41.96 40.83 2cqp s TYR 960 CO 0.10 0.13 0.86 0.54 -1.57 0.00 0.00 175.55 175.62 2cqp s ASN 961 N -3.00 4.83 0.25 2.29 4.22 -0.86 -4.89 114.94 117.78 2cqp s ASN 961 Ca 0.15 -0.70 -0.10 0.00 -2.14 0.00 0.00 52.86 50.07 2cqp s ASN 961 Cb 0.00 0.22 0.37 0.00 1.28 0.00 0.00 41.25 43.12 2cqp s ASN 961 CO 0.02 -1.53 1.60 -0.08 -2.04 0.00 0.00 177.10 175.07 2cqp h GLU 962 N -0.07 0.01 -0.65 3.55 4.81 -2.02 0.29 114.58 120.50 2cqp h GLU 962 Ca -0.32 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2cqp h GLU 962 Cb 1.28 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2cqp h GLU 962 CO 0.40 0.01 0.34 0.87 -0.73 0.00 0.00 179.01 179.90 2cqp h LYS 963 N 0.01 0.92 0.00 1.92 1.57 -2.05 -3.47 116.57 115.47 2cqp h LYS 963 Ca 0.40 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2cqp h LYS 963 Cb 0.63 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2cqp h LYS 963 CO -0.81 0.70 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 2cqp n GLY 964 N -1.02 1.33 3.73 3.86 0.00 0.10 -5.12 105.19 108.07 2cqp n GLY 964 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2cqp n GLY 964 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqp s MET 965 N 0.00 2.04 0.33 1.61 -1.94 -1.26 -4.50 119.30 115.58 2cqp s MET 965 Ca 0.00 1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 55.15 2cqp s MET 965 Cb 0.00 -1.85 -0.10 0.00 2.01 0.00 0.00 34.83 34.89 2cqp s MET 965 CO 0.00 -1.85 1.22 -1.25 -0.01 0.00 0.00 175.02 173.13 2cqp s PRO 966 N -4.42 4.38 -0.42 2.03 0.04 -1.26 -2.02 135.00 133.33 2cqp s PRO 966 Ca 0.67 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.78 2cqp s PRO 966 Cb -0.22 -3.03 0.53 0.00 0.04 0.00 0.00 34.50 31.82 2cqp s PRO 966 CO 0.51 -0.10 1.67 0.25 0.04 0.00 0.00 177.00 179.37 2cqp n THR 967 N 0.77 2.97 -4.30 1.26 -2.24 -0.94 -4.89 114.28 106.91 2cqp n THR 967 Ca 0.00 -2.81 -0.35 0.00 -2.27 0.00 0.00 64.05 58.63 2cqp n THR 967 Cb 0.44 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 2cqp n THR 967 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqp n GLY 968 N -1.02 -0.29 3.18 3.38 0.00 -1.25 -4.87 105.19 104.32 2cqp n GLY 968 Ca 0.48 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 2cqp n GLY 968 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqp s GLU 969 N -7.09 0.47 0.02 1.61 2.02 -1.26 -2.14 118.70 112.33 2cqp s GLU 969 Ca 0.40 0.04 -0.15 0.00 0.02 0.00 0.00 54.97 55.29 2cqp s GLU 969 Cb -0.23 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.24 2cqp s GLU 969 CO 0.97 -0.10 0.32 0.00 0.02 0.00 0.00 175.26 176.47 2cqp s ALA 970 N -0.65 -0.76 0.02 5.21 0.00 -0.75 -1.96 121.76 122.87 2cqp s ALA 970 Ca -0.07 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2cqp s ALA 970 Cb -0.04 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 2cqp s ALA 970 CO 0.02 -0.35 -0.18 -1.64 0.00 0.00 0.00 175.76 173.61 2cqp s MET 971 N -1.98 1.32 0.14 0.00 -1.94 -0.53 0.23 119.30 116.54 2cqp s MET 971 Ca -0.09 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 2cqp s MET 971 Cb -0.03 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.43 2cqp s MET 971 CO 0.00 0.35 0.02 0.14 -0.01 0.00 0.00 175.02 175.53 2cqp s VAL 972 N -0.62 0.38 0.11 -6.03 -7.23 -0.83 -0.26 120.40 105.92 2cqp s VAL 972 Ca 0.06 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2cqp s VAL 972 Cb -0.08 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2cqp s VAL 972 CO 0.01 -0.51 -0.23 0.00 -0.31 0.00 0.00 175.10 174.05 2cqp s ALA 973 N -3.86 2.01 -0.02 1.32 0.00 -1.26 -0.53 121.76 119.42 2cqp s ALA 973 Ca 0.23 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2cqp s ALA 973 Cb 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2cqp s ALA 973 CO 0.02 0.42 -0.12 -0.06 0.00 0.00 0.00 175.76 176.02 2cqp s PHE 974 N -1.13 1.15 0.15 0.00 0.40 0.12 -2.89 117.98 115.77 2cqp s PHE 974 Ca 0.09 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 2cqp s PHE 974 Cb -0.10 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.63 2cqp s PHE 974 CO 0.05 -0.07 1.40 0.93 0.70 0.00 0.00 175.22 178.22 2cqp h GLU 975 N 6.11 0.65 -5.40 0.44 5.08 -1.87 -0.05 114.58 119.54 2cqp h GLU 975 Ca -0.33 -0.49 -0.63 0.00 -1.00 0.00 0.00 59.36 56.91 2cqp h GLU 975 Cb 1.17 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 2cqp h GLU 975 CO 0.49 1.11 -0.61 0.45 -1.00 0.00 0.00 179.01 179.44 2cqp s SER 976 N -7.01 5.28 0.10 1.42 0.15 -1.26 -4.75 113.70 107.63 2cqp s SER 976 Ca -0.08 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 2cqp s SER 976 Cb 0.10 -1.82 -0.07 0.00 -1.71 0.00 0.00 66.02 62.52 2cqp s SER 976 CO 0.87 0.21 1.63 -0.09 1.20 0.00 0.00 173.24 177.07 2cqp h ARG 977 N 6.41 0.37 -0.59 5.44 2.43 -1.96 -2.24 114.38 124.24 2cqp h ARG 977 Ca -0.37 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 2cqp h ARG 977 Cb 1.18 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2cqp h ARG 977 CO 0.65 0.42 0.39 0.22 -1.51 0.00 0.00 179.97 180.14 2cqp h ASP 978 N 0.24 0.50 -0.14 -3.80 3.58 -1.99 -1.93 116.42 112.88 2cqp h ASP 978 Ca 0.08 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2cqp h ASP 978 Cb 0.19 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2cqp h ASP 978 CO -0.01 0.32 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.30 2cqp h GLU 979 N 0.57 0.27 -0.24 0.28 3.07 -1.89 -0.61 114.58 116.03 2cqp h GLU 979 Ca 0.26 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 2cqp h GLU 979 Cb 0.28 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2cqp h GLU 979 CO -0.07 0.58 0.03 0.00 -1.40 0.00 0.00 179.01 178.15 2cqp h ALA 980 N 0.68 0.23 -0.43 3.43 0.00 -0.82 0.25 119.26 122.60 2cqp h ALA 980 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2cqp h ALA 980 Cb 0.49 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2cqp h ALA 980 CO 0.02 -0.39 0.08 1.15 0.00 0.00 0.00 179.25 180.11 2cqp h THR 981 N 0.11 1.24 -0.61 0.00 2.02 -1.38 -1.73 112.91 112.56 2cqp h THR 981 Ca 0.11 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 2cqp h THR 981 Cb 0.12 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2cqp h THR 981 CO -0.16 0.30 0.30 0.00 0.37 0.00 0.00 175.52 176.32 2cqp h ALA 982 N 0.95 0.79 -0.74 6.16 0.00 -0.77 -1.02 119.26 124.62 2cqp h ALA 982 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2cqp h ALA 982 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2cqp h ALA 982 CO 0.01 0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.88 2cqp h ALA 983 N 1.13 0.96 -0.01 0.00 0.00 -0.39 0.19 119.26 121.14 2cqp h ALA 983 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cqp h ALA 983 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2cqp h ALA 983 CO -0.03 0.61 0.00 0.28 0.00 0.00 0.00 179.25 180.11 2cqp h VAL 984 N 1.08 1.23 -0.36 0.00 2.07 -1.02 0.11 116.25 119.35 2cqp h VAL 984 Ca 0.24 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2cqp h VAL 984 Cb 0.24 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2cqp h VAL 984 CO -0.02 0.18 0.07 0.40 0.02 0.00 0.00 177.57 178.22 2cqp h ILE 985 N -0.26 1.23 0.00 4.57 2.04 -1.11 1.91 117.51 125.89 2cqp h ILE 985 Ca 0.00 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 2cqp h ILE 985 Cb 0.29 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2cqp h ILE 985 CO 0.00 0.28 -0.27 -0.78 0.00 0.00 0.00 178.15 177.38 2cqp h ASP 986 N 0.43 0.00 -0.01 1.72 1.82 -0.63 -2.95 116.42 116.79 2cqp h ASP 986 Ca 0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 2cqp h ASP 986 Cb 0.34 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 2cqp h ASP 986 CO 0.01 0.27 -0.56 0.18 -1.61 0.00 0.00 179.24 177.52 2cqp n LEU 987 N -3.88 2.58 -4.70 2.28 4.77 0.39 -5.02 117.00 113.41 2cqp n LEU 987 Ca -0.02 -3.73 -0.41 0.00 -0.03 0.00 0.00 56.01 51.82 2cqp n LEU 987 Cb 0.35 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2cqp n LEU 987 CO 0.35 1.33 0.61 0.21 -1.33 0.00 0.00 177.39 178.57 2cqp s ASN 988 N -3.12 7.17 -1.24 -1.43 3.84 0.64 -3.74 114.94 117.07 2cqp s ASN 988 Ca 0.38 1.42 -0.07 0.00 0.21 0.00 0.00 52.86 54.80 2cqp s ASN 988 Cb 0.37 -2.50 0.01 0.00 -0.55 0.00 0.00 41.25 38.58 2cqp s ASN 988 CO -0.08 -0.28 1.07 0.47 -2.79 0.00 0.00 177.10 175.49 2cqp n ASP 989 N 4.32 -5.33 -4.74 -4.21 8.00 -0.96 -4.97 116.55 108.66 2cqp n ASP 989 Ca 0.04 -0.52 -0.40 0.00 0.71 0.00 0.00 54.79 54.63 2cqp n ASP 989 Cb 0.50 -4.74 -0.05 0.00 -0.02 0.00 0.00 41.12 36.82 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2cqp s ARG 990 N -6.04 4.52 -1.01 -1.24 1.81 -1.22 -4.70 118.95 111.06 2cqp s ARG 990 Ca 0.44 1.11 -0.24 0.00 -1.72 0.00 0.00 55.73 55.33 2cqp s ARG 990 Cb -0.20 -3.38 -0.06 0.00 -0.45 0.00 0.00 34.95 30.86 2cqp s ARG 990 CO 0.68 0.23 1.94 -1.25 -0.68 0.00 0.00 175.30 176.23 2cqp s PRO 991 N 0.09 2.53 -0.08 3.54 0.04 -1.26 -1.27 135.00 138.59 2cqp s PRO 991 Ca 0.40 -0.62 -0.24 0.00 0.04 0.00 0.00 61.00 60.59 2cqp s PRO 991 Cb -0.21 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.17 2cqp s PRO 991 CO 0.24 -3.60 0.73 0.42 0.04 0.00 0.00 177.00 174.82 2cqp s ILE 992 N 10.43 5.02 0.00 0.56 1.01 0.16 -4.78 121.20 133.60 2cqp s ILE 992 Ca 0.69 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.84 2cqp s ILE 992 Cb -0.04 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2cqp s ILE 992 CO 0.04 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2cqp n GLY 993 N 3.16 0.22 0.00 6.18 0.00 -1.26 -0.62 105.19 112.86 2cqp n GLY 993 Ca -0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 994 N 4.55 0.29 -4.22 1.61 2.88 -1.26 -5.08 113.62 112.39 2cqp n SER 994 Ca 0.00 -0.74 -0.13 0.00 -1.33 0.00 0.00 58.87 56.67 2cqp n SER 994 Cb 0.00 0.15 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2cqp s ARG 995 N -0.15 1.00 0.13 -1.46 0.52 0.20 -5.12 118.95 114.09 2cqp s ARG 995 Ca 0.00 -1.43 -0.19 0.00 -0.52 0.00 0.00 55.73 53.59 2cqp s ARG 995 Cb 0.00 -0.43 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 2cqp s ARG 995 CO 0.00 0.01 0.62 0.15 0.02 0.00 0.00 175.30 176.09 2cqp s LYS 996 N -3.80 4.18 0.08 3.54 1.02 -1.26 0.38 119.74 123.88 2cqp s LYS 996 Ca 0.16 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.91 2cqp s LYS 996 Cb 0.04 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2cqp s LYS 996 CO -0.01 0.53 0.15 0.14 -0.92 0.00 0.00 175.35 175.25 2cqp s VAL 997 N -1.30 4.94 -0.15 3.17 -7.23 -0.40 -4.60 120.40 114.82 2cqp s VAL 997 Ca 0.35 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 2cqp s VAL 997 Cb -0.18 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.33 2cqp s VAL 997 CO 0.20 0.10 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.22 2cqp s LYS 998 N -2.55 3.33 -0.12 4.82 2.36 0.42 -2.27 119.74 125.72 2cqp s LYS 998 Ca 0.32 -0.70 -0.01 0.00 -2.55 0.00 0.00 55.97 53.03 2cqp s LYS 998 Cb -0.12 -2.70 -0.02 0.00 -1.05 0.00 0.00 37.83 33.94 2cqp s LYS 998 CO 0.25 0.07 -0.08 -0.51 1.55 0.00 0.00 175.35 176.64 2cqp s LEU 999 N 0.71 3.06 0.09 5.43 1.43 -1.26 -1.13 118.68 127.01 2cqp s LEU 999 Ca -0.06 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2cqp s LEU 999 Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2cqp s LEU 999 CO 0.02 0.23 -0.19 -0.69 0.23 0.00 0.00 176.35 175.95 2cqp s VAL 1000N -0.01 1.54 -0.22 -1.59 1.01 -0.74 -4.96 120.40 115.42 2cqp s VAL 1000Ca -0.01 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.31 2cqp s VAL 1000Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2cqp s VAL 1000CO 0.03 -0.08 0.69 -0.76 0.00 0.00 0.00 175.10 174.99 2cqp s LEU 1001N -1.79 4.11 0.00 3.92 1.43 -1.26 -2.02 118.68 123.07 2cqp s LEU 1001Ca 0.04 0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2cqp s LEU 1001Cb -0.10 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 2cqp s LEU 1001CO 0.03 -0.37 0.89 1.23 0.23 0.00 0.00 176.35 178.37 2cqp h GLY 1002N 8.66 -0.59 -1.21 -3.19 0.00 -0.50 -3.46 103.07 102.77 2cqp h GLY 1002Ca -0.28 0.22 -0.33 0.00 0.00 0.00 0.00 47.33 46.94 2cqp h GLY 1002CO 0.80 -0.22 -0.61 -1.14 0.00 0.00 0.00 176.54 175.38 2cqp n SER 1003N -4.14 -2.87 0.00 0.19 3.41 -1.26 -4.78 113.62 104.17 2cqp n SER 1003Ca -0.07 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2cqp n SER 1003Cb 0.22 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2cqp n SER 1003CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqp n GLY 1004N 2.22 -0.91 3.77 5.00 0.00 -1.26 -4.60 105.19 109.41 2cqp n GLY 1004Ca 0.04 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2cqp n GLY 1004CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqp s PRO 1005N -0.45 2.53 -0.92 1.61 0.04 -1.26 -4.72 135.00 131.82 2cqp s PRO 1005Ca 0.00 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 2cqp s PRO 1005Cb 0.00 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.72 2cqp s PRO 1005CO 0.00 -1.45 1.21 0.45 0.04 0.00 0.00 177.00 177.25 2cqp s SER 1006N -2.98 6.53 -0.83 6.66 0.15 -1.26 -4.95 113.70 117.02 2cqp s SER 1006Ca 0.64 -1.73 -0.11 0.00 0.70 0.00 0.00 55.95 55.45 2cqp s SER 1006Cb -0.19 -2.45 0.22 0.00 -1.71 0.00 0.00 66.02 61.88 2cqp s SER 1006CO 0.49 -1.25 0.75 -0.55 1.20 0.00 0.00 173.24 173.88 2cqp s SER 1007N 4.03 6.54 0.00 5.45 0.15 -1.26 -5.25 113.70 123.36 2cqp s SER 1007Ca 0.36 -2.85 0.00 0.00 0.70 0.00 0.00 55.95 54.15 2cqp s SER 1007Cb -0.05 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2cqp s SER 1007CO -0.07 -0.49 0.39 0.61 1.20 0.00 0.00 173.24 174.87