#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqp n SER 912 N 0.00 -0.75 -4.40 1.61 3.41 -1.26 -4.81 113.62 107.42 2cqp n SER 912 Ca 0.00 0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 59.12 2cqp n SER 912 Cb 0.00 -0.70 0.12 0.00 -0.26 0.00 0.00 64.21 63.37 2cqp n SER 912 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cqp n SER 913 N 1.41 -2.19 -4.64 4.04 7.64 -1.26 -4.87 113.62 113.75 2cqp n SER 913 Ca 0.14 0.30 -0.43 0.00 1.01 0.00 0.00 58.87 59.89 2cqp n SER 913 Cb 0.16 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 2cqp n SER 913 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqp s GLY 914 N -1.99 1.54 -0.43 0.23 0.00 -1.26 -4.97 107.32 100.45 2cqp s GLY 914 Ca 0.56 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 2cqp s GLY 914 CO 0.68 2.36 1.61 -1.35 0.00 0.00 0.00 173.10 176.39 2cqp s SER 915 N 1.89 6.02 -0.17 1.64 1.04 -1.26 -4.86 113.70 117.99 2cqp s SER 915 Ca 0.49 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2cqp s SER 915 Cb -0.15 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.62 2cqp s SER 915 CO 0.16 -1.68 1.58 -1.54 0.98 0.00 0.00 173.24 172.74 2cqp n SER 916 N 9.93 4.39 0.00 7.02 3.41 -1.26 -4.82 113.62 132.29 2cqp n SER 916 Ca 0.19 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2cqp n SER 916 Cb 0.48 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2cqp n SER 916 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqp n GLY 917 N 0.28 3.00 3.78 5.00 0.00 -1.26 -5.19 105.19 110.79 2cqp n GLY 917 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.00 -1.57 0.12 4.61 0.00 -1.26 -5.18 121.76 117.48 2cqp s ALA 918 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.09 2cqp s ALA 918 Cb 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2cqp s ALA 918 CO 0.00 -1.04 -0.19 -1.12 0.00 0.00 0.00 175.76 173.40 2cqp s SER 919 N -2.94 3.80 0.15 0.00 0.01 -1.26 -5.10 113.70 108.36 2cqp s SER 919 Ca 0.12 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 2cqp s SER 919 Cb -0.02 -0.50 -0.08 0.00 0.21 0.00 0.00 66.02 65.63 2cqp s SER 919 CO 0.03 0.18 1.36 -0.44 0.41 0.00 0.00 173.24 174.78 2cqp s SER 920 N -2.12 6.85 0.47 2.44 0.01 -1.26 -4.77 113.70 115.32 2cqp s SER 920 Ca 0.17 2.36 0.08 0.00 1.31 0.00 0.00 55.95 59.88 2cqp s SER 920 Cb -0.10 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.56 2cqp s SER 920 CO 0.09 -0.60 0.60 -0.83 0.41 0.00 0.00 173.24 172.91 2cqp s GLY 921 N 0.78 1.94 0.02 3.44 0.00 -1.12 -4.97 107.32 107.39 2cqp s GLY 921 Ca 0.61 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2cqp s GLY 921 CO 0.34 -1.59 -0.04 0.54 0.00 0.00 0.00 173.10 172.35 2cqp s LYS 922 N -4.40 0.29 0.00 2.90 -0.14 -1.26 -5.06 119.74 112.07 2cqp s LYS 922 Ca 0.55 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 2cqp s LYS 922 Cb -0.08 -0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.01 2cqp s LYS 922 CO 0.33 0.00 0.00 -0.35 -0.76 0.00 0.00 175.35 174.58 2cqp n PRO 923 N 2.09 -0.51 0.00 -1.68 -0.04 -1.26 -4.87 135.00 128.73 2cqp n PRO 923 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2cqp n PRO 923 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2cqp n PRO 923 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqp n GLY 924 N 2.44 -1.27 3.67 0.55 0.00 -1.26 -4.97 105.19 104.34 2cqp n GLY 924 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 0.32 -0.16 1.61 0.04 -1.26 -5.01 135.00 130.55 2cqp s PRO 925 Ca 0.00 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.35 2cqp s PRO 925 Cb 0.00 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2cqp s PRO 925 CO 0.00 -2.80 0.48 0.99 0.04 0.00 0.00 177.00 175.71 2cqp s THR 926 N -2.96 5.16 -0.23 1.26 2.01 -0.22 -4.84 115.64 115.81 2cqp s THR 926 Ca 0.66 0.92 -0.10 0.00 0.31 0.00 0.00 61.69 63.47 2cqp s THR 926 Cb -0.19 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2cqp s THR 926 CO 0.58 0.27 0.15 -0.63 -0.69 0.00 0.00 174.62 174.30 2cqp s ILE 927 N 1.04 5.35 0.03 1.82 -1.09 -1.26 -0.15 121.20 126.94 2cqp s ILE 927 Ca 0.24 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 2cqp s ILE 927 Cb -0.15 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2cqp s ILE 927 CO 0.10 0.36 0.07 -0.63 -1.23 0.00 0.00 174.94 173.61 2cqp s ILE 928 N 0.92 4.57 -0.16 2.92 1.01 -0.24 -0.38 121.20 129.84 2cqp s ILE 928 Ca 0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2cqp s ILE 928 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2cqp s ILE 928 CO 0.03 0.27 -0.08 -0.75 0.00 0.00 0.00 174.94 174.41 2cqp s LYS 929 N -1.95 3.47 -0.19 2.79 2.20 -0.79 -2.10 119.74 123.17 2cqp s LYS 929 Ca 0.25 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 2cqp s LYS 929 Cb -0.12 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2cqp s LYS 929 CO 0.16 0.13 -0.06 0.08 -0.36 0.00 0.00 175.35 175.31 2cqp s VAL 930 N 0.61 3.40 0.37 4.02 1.01 0.15 -1.71 120.40 128.25 2cqp s VAL 930 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2cqp s VAL 930 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2cqp s VAL 930 CO 0.03 0.45 0.07 -1.58 0.00 0.00 0.00 175.10 174.07 2cqp s GLN 931 N 1.08 1.80 -1.00 2.72 -0.44 -0.28 -1.43 119.66 122.12 2cqp s GLN 931 Ca 0.01 -2.05 -0.02 0.00 -2.50 0.00 0.00 55.36 50.80 2cqp s GLN 931 Cb -0.15 -0.88 -0.02 0.00 -1.64 0.00 0.00 33.01 30.32 2cqp s GLN 931 CO -0.01 -0.29 0.85 -1.71 0.50 0.00 0.00 175.29 174.63 2cqp n ASN 932 N -0.95 -3.60 -4.19 6.67 4.05 -1.18 -0.54 115.26 115.52 2cqp n ASN 932 Ca -0.05 -0.57 -0.33 0.00 0.45 0.00 0.00 54.58 54.08 2cqp n ASN 932 Cb 0.66 -4.59 -0.16 0.00 1.23 0.00 0.00 39.78 36.92 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 -4.82 3.05 0.92 1.20 -1.94 -0.88 -3.81 119.30 113.02 2cqp s MET 933 Ca 0.16 -0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 53.18 2cqp s MET 933 Cb -0.02 -2.44 0.14 0.00 2.01 0.00 0.00 34.83 34.52 2cqp s MET 933 CO 0.64 0.02 1.09 -1.25 -0.01 0.00 0.00 175.02 175.51 2cqp s PRO 934 N 0.75 1.07 0.35 2.03 0.04 -1.26 -3.76 135.00 134.21 2cqp s PRO 934 Ca -0.08 0.75 0.04 0.00 0.04 0.00 0.00 61.00 61.75 2cqp s PRO 934 Cb -0.16 -1.79 0.65 0.00 0.04 0.00 0.00 34.50 33.24 2cqp s PRO 934 CO -0.00 -2.35 1.95 0.74 0.04 0.00 0.00 177.00 177.38 2cqp h PHE 935 N -1.63 0.64 -0.21 0.56 0.04 -2.00 -1.78 116.94 112.56 2cqp h PHE 935 Ca -0.51 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.30 2cqp h PHE 935 Cb 1.29 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 2cqp h PHE 935 CO 0.39 0.49 0.36 1.79 -0.60 0.00 0.00 178.31 180.75 2cqp h THR 936 N 0.65 0.23 -3.91 -1.55 1.35 -2.01 -3.42 112.91 104.25 2cqp h THR 936 Ca 0.16 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.48 2cqp h THR 936 Cb 0.11 0.69 0.11 0.00 -1.73 0.00 0.00 68.15 67.32 2cqp h THR 936 CO -0.02 0.00 0.80 -0.69 -0.25 0.00 0.00 175.52 175.36 2cqp s VAL 937 N -4.40 2.00 0.25 6.82 1.01 -0.67 -5.01 120.40 120.39 2cqp s VAL 937 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2cqp s VAL 937 Cb 0.13 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2cqp s VAL 937 CO 0.44 0.00 0.18 -0.44 0.00 0.00 0.00 175.10 175.28 2cqp s SER 938 N -0.08 0.70 0.21 3.32 0.01 -1.26 -5.04 113.70 111.56 2cqp s SER 938 Ca 0.54 -1.52 -0.10 0.00 1.31 0.00 0.00 55.95 56.18 2cqp s SER 938 Cb -0.47 0.44 0.15 0.00 0.21 0.00 0.00 66.02 66.35 2cqp s SER 938 CO 0.63 -0.92 1.84 0.40 0.41 0.00 0.00 173.24 175.60 2cqp h ILE 939 N 2.44 1.22 -0.37 1.44 2.04 -1.99 -1.18 117.51 121.11 2cqp h ILE 939 Ca -0.32 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2cqp h ILE 939 Cb 1.24 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2cqp h ILE 939 CO 0.47 0.23 0.15 0.44 0.00 0.00 0.00 178.15 179.44 2cqp h ASP 940 N 1.04 0.51 -0.72 1.72 3.32 -1.99 -1.49 116.42 118.80 2cqp h ASP 940 Ca 0.27 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2cqp h ASP 940 Cb -0.01 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2cqp h ASP 940 CO -0.05 0.53 0.39 -0.33 -1.72 0.00 0.00 179.24 178.06 2cqp h GLU 941 N 0.45 1.01 -0.06 3.56 4.39 -1.90 -1.62 114.58 120.41 2cqp h GLU 941 Ca 0.12 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cqp h GLU 941 Cb 0.18 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2cqp h GLU 941 CO -0.01 0.76 0.03 0.82 -1.16 0.00 0.00 179.01 179.44 2cqp h ILE 942 N 0.99 1.10 -0.93 3.13 2.04 -1.02 0.12 117.51 122.95 2cqp h ILE 942 Ca 0.25 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2cqp h ILE 942 Cb 0.05 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2cqp h ILE 942 CO -0.04 0.09 0.60 -0.07 0.00 0.00 0.00 178.15 178.73 2cqp h LEU 943 N -0.02 0.98 -0.73 1.44 3.38 -1.10 -1.39 115.31 117.87 2cqp h LEU 943 Ca 0.02 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2cqp h LEU 943 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2cqp h LEU 943 CO -0.00 0.66 -0.60 -0.78 0.09 0.00 0.00 178.44 177.80 2cqp h ASP 944 N 1.14 0.13 -0.38 -0.43 3.58 -1.07 -3.01 116.42 116.38 2cqp h ASP 944 Ca 0.38 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.68 2cqp h ASP 944 Cb 0.07 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2cqp h ASP 944 CO -0.14 0.70 -0.03 0.15 -2.88 0.00 0.00 179.24 177.04 2cqp h PHE 945 N 0.08 0.83 -0.34 0.28 3.04 0.30 -2.06 116.94 119.07 2cqp h PHE 945 Ca -0.01 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2cqp h PHE 945 Cb 1.09 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.37 2cqp h PHE 945 CO 0.01 0.79 0.00 1.19 -2.02 0.00 0.00 178.31 178.28 2cqp n PHE 946 N -4.20 0.62 -1.11 0.41 3.72 -0.76 -4.96 117.46 111.17 2cqp n PHE 946 Ca 0.02 -0.27 -0.36 0.00 -0.05 0.00 0.00 57.45 56.79 2cqp n PHE 946 Cb 0.32 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.50 -2.33 0.00 1.38 9.36 -0.78 -2.34 117.16 122.96 2cqp n TYR 947 Ca 0.12 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.60 2cqp n TYR 947 Cb 0.41 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 37.38 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 2.20 1.87 3.87 2.98 0.00 -1.26 -4.97 105.19 109.87 2cqp n GLY 948 Ca 0.06 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.29 3.53 -0.73 1.61 2.02 -0.99 -5.03 117.35 117.48 2cqp s TYR 949 Ca 0.00 0.84 -0.27 0.00 -0.37 0.00 0.00 57.07 57.27 2cqp s TYR 949 Cb 0.00 -2.21 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2cqp s TYR 949 CO 0.00 0.42 1.28 -0.65 -1.57 0.00 0.00 175.55 175.03 2cqp s GLN 950 N -2.28 3.21 -0.13 -0.62 -0.21 -1.26 -5.00 119.66 113.38 2cqp s GLN 950 Ca 0.39 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.42 2cqp s GLN 950 Cb -0.13 -4.17 -0.04 0.00 1.00 0.00 0.00 33.01 29.67 2cqp s GLN 950 CO 0.20 -2.11 0.39 0.08 -2.12 0.00 0.00 175.29 171.72 2cqp s VAL 951 N 5.70 5.23 0.24 1.09 1.01 -1.26 -4.57 120.40 127.85 2cqp s VAL 951 Ca 0.36 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 2cqp s VAL 951 Cb -0.08 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 2cqp s VAL 951 CO 0.16 0.37 1.65 -0.38 0.00 0.00 0.00 175.10 176.91 2cqp n ILE 952 N 3.48 0.47 -2.19 2.22 5.41 -1.17 -4.93 119.36 122.64 2cqp n ILE 952 Ca -0.10 -0.12 -0.42 0.00 1.00 0.00 0.00 62.75 63.11 2cqp n ILE 952 Cb 0.52 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 0.39 4.31 0.00 0.38 0.04 -1.26 -2.52 135.00 136.33 2cqp s PRO 953 Ca 0.70 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2cqp s PRO 953 Cb -0.52 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2cqp s PRO 953 CO 0.40 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2cqp n GLY 954 N 3.55 1.61 0.26 0.56 0.00 -1.26 -4.92 105.19 104.99 2cqp n GLY 954 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.49 -0.04 1.61 4.64 -1.85 -3.43 113.55 113.99 2cqp h SER 955 Ca 0.00 -0.10 -0.74 0.00 -0.47 0.00 0.00 61.79 60.48 2cqp h SER 955 Cb 0.00 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2cqp h SER 955 CO 0.00 -0.13 1.37 0.52 -0.87 0.00 0.00 176.83 177.71 2cqp n VAL 956 N -5.22 0.01 -4.05 0.95 0.31 -1.24 -4.59 118.33 104.49 2cqp n VAL 956 Ca -0.10 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 63.90 2cqp n VAL 956 Cb 0.29 -0.55 -0.16 0.00 -0.91 0.00 0.00 33.84 32.52 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 1.33 4.41 -0.05 0.00 1.43 -1.26 -1.38 118.68 123.16 2cqp s LEU 958 Ca 0.00 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 2cqp s LEU 958 Cb -0.15 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 2cqp s LEU 958 CO -0.09 -0.11 0.40 -0.75 0.23 0.00 0.00 176.35 176.02 2cqp s LYS 959 N 0.46 4.02 0.54 1.70 2.47 -0.88 -5.01 119.74 123.03 2cqp s LYS 959 Ca 0.44 0.36 0.01 0.00 -1.56 0.00 0.00 55.97 55.22 2cqp s LYS 959 Cb -0.21 -3.28 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2cqp s LYS 959 CO 0.25 0.54 0.10 0.71 0.16 0.00 0.00 175.35 177.12 2cqp s TYR 960 N -0.58 1.67 0.43 4.03 2.02 -1.26 -1.76 117.35 121.89 2cqp s TYR 960 Ca 0.23 -0.98 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 2cqp s TYR 960 Cb -0.16 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2cqp s TYR 960 CO 0.11 0.01 0.17 0.27 -1.57 0.00 0.00 175.55 174.54 2cqp n ASN 961 N -1.44 2.78 -0.02 2.29 0.23 -0.13 -4.72 115.26 114.25 2cqp n ASN 961 Ca -0.17 -2.67 0.14 0.00 -0.53 0.00 0.00 54.58 51.35 2cqp n ASN 961 Cb 0.66 0.12 0.57 0.00 -2.08 0.00 0.00 39.78 39.06 2cqp n ASN 961 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2cqp h GLU 962 N 0.00 0.24 0.03 -3.83 -0.00 -2.02 -0.49 114.58 108.50 2cqp h GLU 962 Ca -0.31 -0.01 -0.22 0.00 -0.00 0.00 0.00 59.36 58.81 2cqp h GLU 962 Cb 1.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.73 2cqp h GLU 962 CO 0.51 0.16 -0.98 0.87 -0.00 0.00 0.00 179.01 179.56 2cqp h LYS 963 N 0.24 0.24 0.00 1.06 1.79 -2.04 -3.47 116.57 114.38 2cqp h LYS 963 Ca 0.24 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2cqp h LYS 963 Cb 0.61 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2cqp h LYS 963 CO -0.05 1.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.78 2cqp n GLY 964 N 1.07 1.32 3.85 3.86 0.00 -0.19 -5.12 105.19 109.98 2cqp n GLY 964 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.06 3.69 0.19 1.61 -1.94 -1.26 -4.56 119.30 116.97 2cqp s MET 965 Ca 0.00 0.90 -0.30 0.00 -1.71 0.00 0.00 55.69 54.58 2cqp s MET 965 Cb 0.00 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.66 2cqp s MET 965 CO 0.00 -0.49 1.31 -1.25 -0.01 0.00 0.00 175.02 174.58 2cqp s PRO 966 N -4.56 4.39 -0.44 2.03 0.04 -1.26 -0.96 135.00 134.24 2cqp s PRO 966 Ca 0.58 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.67 2cqp s PRO 966 Cb -0.11 -3.20 0.42 0.00 0.04 0.00 0.00 34.50 31.64 2cqp s PRO 966 CO 0.42 -0.26 1.88 0.25 0.04 0.00 0.00 177.00 179.34 2cqp n THR 967 N 2.72 3.00 -2.51 1.26 -2.24 -0.73 -4.85 114.28 110.93 2cqp n THR 967 Ca 0.06 -1.96 -0.07 0.00 -2.27 0.00 0.00 64.05 59.81 2cqp n THR 967 Cb 0.43 -0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.53 -0.50 3.16 3.38 0.00 -1.25 -4.86 105.19 104.60 2cqp n GLY 968 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.06 1.04 -0.03 1.61 2.02 -1.26 -2.07 118.70 114.95 2cqp s GLU 969 Ca 0.02 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.07 2cqp s GLU 969 Cb -0.01 -1.07 0.03 0.00 0.10 0.00 0.00 34.13 33.18 2cqp s GLU 969 CO 0.02 0.27 0.34 0.00 0.02 0.00 0.00 175.26 175.91 2cqp s ALA 970 N -0.81 -0.87 -0.00 5.21 0.00 -0.51 -2.07 121.76 122.71 2cqp s ALA 970 Ca 0.03 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.54 2cqp s ALA 970 Cb -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2cqp s ALA 970 CO 0.01 -0.26 -0.24 -1.64 0.00 0.00 0.00 175.76 173.63 2cqp s MET 971 N -1.16 1.88 0.16 0.00 -1.94 -0.48 -0.68 119.30 117.08 2cqp s MET 971 Ca -0.12 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 52.97 2cqp s MET 971 Cb -0.05 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 2cqp s MET 971 CO 0.04 0.50 0.01 0.14 -0.01 0.00 0.00 175.02 175.71 2cqp s VAL 972 N -0.61 0.57 0.05 -6.03 -7.23 -0.89 -0.45 120.40 105.80 2cqp s VAL 972 Ca 0.09 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2cqp s VAL 972 Cb -0.09 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2cqp s VAL 972 CO -0.00 -0.50 -0.16 0.00 -0.31 0.00 0.00 175.10 174.13 2cqp s ALA 973 N -3.73 1.38 -0.03 1.32 0.00 -1.26 -1.08 121.76 118.36 2cqp s ALA 973 Ca 0.23 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2cqp s ALA 973 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2cqp s ALA 973 CO 0.03 0.27 -0.16 -0.06 0.00 0.00 0.00 175.76 175.84 2cqp s PHE 974 N -0.95 1.50 0.22 0.00 0.40 0.79 -3.06 117.98 116.88 2cqp s PHE 974 Ca 0.03 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2cqp s PHE 974 Cb -0.09 -1.00 0.20 0.00 0.51 0.00 0.00 43.02 42.65 2cqp s PHE 974 CO 0.02 -0.10 1.58 0.93 0.70 0.00 0.00 175.22 178.35 2cqp h GLU 975 N 6.06 0.54 -5.36 0.44 5.08 -1.87 -0.57 114.58 118.90 2cqp h GLU 975 Ca -0.34 -0.29 -0.64 0.00 -1.00 0.00 0.00 59.36 57.09 2cqp h GLU 975 Cb 1.16 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 2cqp h GLU 975 CO 0.48 0.88 -0.68 -1.12 -1.00 0.00 0.00 179.01 177.57 2cqp s SER 976 N -6.87 4.71 0.07 1.42 0.01 -1.26 -4.76 113.70 107.03 2cqp s SER 976 Ca -0.07 -0.14 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 2cqp s SER 976 Cb 0.12 -1.73 -0.12 0.00 0.21 0.00 0.00 66.02 64.50 2cqp s SER 976 CO 0.82 0.18 1.59 -0.09 0.41 0.00 0.00 173.24 176.16 2cqp h ARG 977 N 6.59 0.18 -0.79 12.44 2.43 -1.95 -2.32 114.38 130.96 2cqp h ARG 977 Ca -0.32 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 2cqp h ARG 977 Cb 1.19 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 2cqp h ARG 977 CO 0.61 0.31 0.52 0.22 -1.51 0.00 0.00 179.97 180.12 2cqp h ASP 978 N 0.02 0.72 0.01 -3.80 1.82 -1.99 -2.23 116.42 110.97 2cqp h ASP 978 Ca 0.04 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2cqp h ASP 978 Cb 0.20 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2cqp h ASP 978 CO -0.00 0.46 -0.00 -0.33 -1.61 0.00 0.00 179.24 177.75 2cqp h GLU 979 N 0.82 -0.01 -0.59 0.28 3.07 -1.92 -1.40 114.58 114.82 2cqp h GLU 979 Ca 0.35 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.30 2cqp h GLU 979 Cb 0.31 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.15 2cqp h GLU 979 CO -0.13 0.20 0.20 0.00 -1.40 0.00 0.00 179.01 177.89 2cqp h ALA 980 N 0.77 0.75 -0.58 3.43 0.00 -0.88 0.22 119.26 122.96 2cqp h ALA 980 Ca -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2cqp h ALA 980 Cb 0.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2cqp h ALA 980 CO 0.00 -0.21 0.19 1.15 0.00 0.00 0.00 179.25 180.38 2cqp h THR 981 N 0.38 1.24 -0.57 0.00 2.02 -1.33 -0.42 112.91 114.23 2cqp h THR 981 Ca 0.30 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2cqp h THR 981 Cb 0.38 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2cqp h THR 981 CO -0.31 0.30 0.09 0.00 0.37 0.00 0.00 175.52 175.97 2cqp h ALA 982 N 1.05 0.75 -0.46 6.16 0.00 -0.35 -0.61 119.26 125.81 2cqp h ALA 982 Ca 0.19 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2cqp h ALA 982 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2cqp h ALA 982 CO -0.01 0.50 -0.17 0.00 0.00 0.00 0.00 179.25 179.57 2cqp h ALA 983 N 1.00 0.84 -0.05 0.00 0.00 -0.42 -0.96 119.26 119.67 2cqp h ALA 983 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2cqp h ALA 983 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2cqp h ALA 983 CO 0.01 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.16 2cqp h VAL 984 N 0.78 1.33 -0.45 0.00 2.07 -0.90 0.41 116.25 119.47 2cqp h VAL 984 Ca 0.11 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2cqp h VAL 984 Cb 0.70 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2cqp h VAL 984 CO 0.05 0.28 0.23 0.40 0.02 0.00 0.00 177.57 178.55 2cqp h ILE 985 N -0.28 1.17 -0.01 4.57 2.04 -1.10 1.89 117.51 125.79 2cqp h ILE 985 Ca 0.01 -0.47 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2cqp h ILE 985 Cb 0.46 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2cqp h ILE 985 CO 0.01 0.19 -0.67 0.44 0.00 0.00 0.00 178.15 178.11 2cqp h ASP 986 N 0.59 0.04 -0.38 1.72 5.19 -1.19 -3.11 116.42 119.28 2cqp h ASP 986 Ca 0.16 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 2cqp h ASP 986 Cb 0.09 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 2cqp h ASP 986 CO -0.02 0.70 0.04 0.18 -3.12 0.00 0.00 179.24 177.02 2cqp n LEU 987 N -3.75 4.37 -4.75 1.55 4.77 0.14 -4.97 117.00 114.36 2cqp n LEU 987 Ca -0.01 -3.29 -0.40 0.00 -0.03 0.00 0.00 56.01 52.27 2cqp n LEU 987 Cb 0.66 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2cqp n LEU 987 CO 0.43 0.88 0.53 0.21 -1.33 0.00 0.00 177.39 178.11 2cqp s ASN 988 N -1.97 7.34 -1.48 -1.43 3.84 0.64 -3.85 114.94 118.04 2cqp s ASN 988 Ca 0.45 1.60 -0.10 0.00 0.21 0.00 0.00 52.86 55.02 2cqp s ASN 988 Cb 0.38 -2.51 0.06 0.00 -0.55 0.00 0.00 41.25 38.63 2cqp s ASN 988 CO 0.07 0.04 0.90 0.47 -2.79 0.00 0.00 177.10 175.79 2cqp n ASP 989 N 2.48 -3.81 -4.74 -4.21 9.92 -0.85 -4.93 116.55 110.41 2cqp n ASP 989 Ca -0.02 -0.80 -0.40 0.00 -0.53 0.00 0.00 54.79 53.04 2cqp n ASP 989 Cb 0.49 -3.89 -0.05 0.00 -0.64 0.00 0.00 41.12 37.04 2cqp n ASP 989 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2cqp s ARG 990 N -6.48 4.47 -0.98 -1.24 0.52 -1.19 -4.71 118.95 109.35 2cqp s ARG 990 Ca 0.49 1.02 -0.24 0.00 -0.52 0.00 0.00 55.73 56.48 2cqp s ARG 990 Cb -0.25 -3.38 -0.06 0.00 0.52 0.00 0.00 34.95 31.79 2cqp s ARG 990 CO 0.83 0.24 1.95 -1.25 0.02 0.00 0.00 175.30 177.09 2cqp s PRO 991 N 0.11 2.53 -0.06 3.54 0.04 -1.26 -0.75 135.00 139.16 2cqp s PRO 991 Ca 0.38 -0.53 -0.22 0.00 0.04 0.00 0.00 61.00 60.67 2cqp s PRO 991 Cb -0.20 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 2cqp s PRO 991 CO 0.22 -3.55 0.65 0.42 0.04 0.00 0.00 177.00 174.77 2cqp s ILE 992 N 10.37 5.04 0.00 0.56 1.01 0.21 -4.79 121.20 133.60 2cqp s ILE 992 Ca 0.70 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.68 2cqp s ILE 992 Cb -0.05 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2cqp s ILE 992 CO 0.03 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2cqp n GLY 993 N 3.01 0.25 0.00 6.18 0.00 -1.26 -0.19 105.19 113.18 2cqp n GLY 993 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2cqp n GLY 993 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cqp n SER 994 N 3.53 0.28 -4.19 1.61 3.41 -1.26 -5.08 113.62 111.92 2cqp n SER 994 Ca 0.00 -0.72 -0.12 0.00 -0.26 0.00 0.00 58.87 57.77 2cqp n SER 994 Cb 0.00 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 2cqp n SER 994 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2cqp s ARG 995 N -0.16 0.88 0.07 4.33 0.52 0.73 -5.12 118.95 120.21 2cqp s ARG 995 Ca 0.00 -1.30 -0.21 0.00 -0.52 0.00 0.00 55.73 53.70 2cqp s ARG 995 Cb 0.00 -0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.02 2cqp s ARG 995 CO 0.00 0.03 0.62 0.15 0.02 0.00 0.00 175.30 176.12 2cqp s LYS 996 N -3.50 4.31 0.15 3.54 1.02 -1.26 0.67 119.74 124.67 2cqp s LYS 996 Ca 0.11 0.83 -0.04 0.00 0.02 0.00 0.00 55.97 56.88 2cqp s LYS 996 Cb 0.02 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 2cqp s LYS 996 CO -0.02 0.54 0.37 0.14 -0.92 0.00 0.00 175.35 175.46 2cqp s VAL 997 N -0.81 5.18 -0.17 3.17 -7.23 0.07 -4.64 120.40 115.97 2cqp s VAL 997 Ca 0.31 -0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2cqp s VAL 997 Cb -0.20 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 2cqp s VAL 997 CO 0.20 0.02 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.17 2cqp s LYS 998 N -2.72 3.41 -0.14 4.82 2.47 0.30 -2.00 119.74 125.87 2cqp s LYS 998 Ca 0.41 -0.64 -0.02 0.00 -1.56 0.00 0.00 55.97 54.15 2cqp s LYS 998 Cb -0.12 -2.82 -0.02 0.00 -1.46 0.00 0.00 37.83 33.41 2cqp s LYS 998 CO 0.25 0.04 -0.08 -0.51 0.16 0.00 0.00 175.35 175.21 2cqp s LEU 999 N 0.83 3.02 0.07 5.43 1.43 -1.26 -1.12 118.68 127.08 2cqp s LEU 999 Ca -0.03 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2cqp s LEU 999 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2cqp s LEU 999 CO 0.01 0.17 -0.19 -0.69 0.23 0.00 0.00 176.35 175.88 2cqp s VAL 1000N 0.35 1.50 0.17 -1.59 1.01 -0.70 -4.94 120.40 116.20 2cqp s VAL 1000Ca -0.07 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 2cqp s VAL 1000Cb -0.15 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 2cqp s VAL 1000CO 0.04 0.02 0.95 -0.76 0.00 0.00 0.00 175.10 175.35 2cqp s LEU 1001N -1.50 4.57 -0.18 3.92 1.43 -1.26 -1.89 118.68 123.76 2cqp s LEU 1001Ca 0.05 1.86 -0.35 0.00 -1.03 0.00 0.00 54.13 54.66 2cqp s LEU 1001Cb -0.09 -3.59 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 2cqp s LEU 1001CO 0.03 0.04 1.94 0.61 0.23 0.00 0.00 176.35 179.19 2cqp n GLY 1002N 1.91 1.14 3.56 -3.19 0.00 0.49 -4.82 105.19 104.29 2cqp n GLY 1002Ca 0.00 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 2cqp n GLY 1002CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqp n SER 1003N 7.35 2.85 0.00 1.61 2.88 -1.26 -4.84 113.62 122.20 2cqp n SER 1003Ca 0.27 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2cqp n SER 1003Cb 0.26 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 2cqp n SER 1003CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqp n GLY 1004N 5.96 -0.44 0.19 0.46 0.00 -1.26 -4.66 105.19 105.43 2cqp n GLY 1004Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.40 2cqp n GLY 1004CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqp h PRO 1005N 0.00 0.00 -1.96 1.61 0.13 -1.88 -2.97 132.00 126.92 2cqp h PRO 1005Ca 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.41 2cqp h PRO 1005Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2cqp h PRO 1005CO 0.00 0.39 0.75 -1.54 -0.23 0.00 0.00 178.00 177.37 2cqp s SER 1006N -6.66 -0.05 -0.60 1.44 1.04 -1.26 -5.08 113.70 102.53 2cqp s SER 1006Ca -0.02 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 2cqp s SER 1006Cb 0.13 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 2cqp s SER 1006CO 0.70 -0.52 2.42 -0.24 0.98 0.00 0.00 173.24 176.59 2cqp n SER 1007N -0.78 2.08 0.00 7.02 2.88 -1.26 -4.92 113.62 118.64 2cqp n SER 1007Ca -0.04 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 2cqp n SER 1007Cb 0.61 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2cqp n SER 1007CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42