#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq s ALA 958 N 0.00 3.30 -0.92 4.31 0.00 -1.26 -4.99 121.76 122.20 1ppq s ALA 958 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.38 1ppq s ALA 958 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 23.12 20.00 1ppq s ALA 958 CO 0.00 0.10 1.12 -2.00 0.00 0.00 0.00 175.76 174.97 1ppq s GLU 959 N -0.68 3.58 0.00 0.00 2.12 -1.26 -4.41 118.70 118.04 1ppq s GLU 959 Ca 0.44 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 54.04 1ppq s GLU 959 Cb -0.25 -4.89 0.00 0.00 0.26 0.00 0.00 34.13 29.25 1ppq s GLU 959 CO 0.31 -1.77 0.00 0.00 -0.54 0.00 0.00 175.26 173.26 1ppq n ALA 960 N 6.59 0.00 -1.49 6.30 0.00 -1.26 -4.83 120.51 125.83 1ppq n ALA 960 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1ppq n ALA 960 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.01 1ppq n ALA 960 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ppq s LYS 961 N 0.00 2.55 -0.19 0.00 2.20 -1.26 -4.52 119.74 118.53 1ppq s LYS 961 Ca 0.00 0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 56.44 1ppq s LYS 961 Cb 0.00 -1.95 0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1ppq s LYS 961 CO 0.00 -1.36 0.20 0.45 -0.36 0.00 0.00 175.35 174.27 1ppq n SER 962 N -3.30 -1.39 -4.89 1.43 2.88 -1.26 -4.96 113.62 102.13 1ppq n SER 962 Ca 0.08 1.23 -0.29 0.00 -1.33 0.00 0.00 58.87 58.55 1ppq n SER 962 Cb 0.54 -4.87 -0.03 0.00 -0.75 0.00 0.00 64.21 59.10 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq s LYS 964 N -3.96 0.40 0.29 0.00 2.47 -1.26 -4.88 119.74 112.80 1ppq s LYS 964 Ca 0.49 0.71 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 1ppq s LYS 964 Cb -0.10 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 1ppq s LYS 964 CO 0.33 -0.43 0.00 2.41 0.16 0.00 0.00 175.35 177.82 1ppq n THR 965 N 5.45 0.00 -1.73 3.43 -1.04 -1.26 -5.05 114.28 114.08 1ppq n THR 965 Ca -0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 1ppq n THR 965 Cb 0.52 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 1ppq n THR 965 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ppq s PRO 966 N -2.00 4.15 1.36 -2.82 0.02 -1.26 -4.99 135.00 129.46 1ppq s PRO 966 Ca 0.00 2.56 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 1ppq s PRO 966 Cb 0.00 -3.88 0.35 0.00 0.02 0.00 0.00 34.50 30.99 1ppq s PRO 966 CO 0.00 -0.89 0.96 -2.14 -0.33 0.00 0.00 177.00 174.60 1ppq s PRO 967 N 3.59 -2.48 -0.46 5.54 0.02 -1.26 -4.99 135.00 134.96 1ppq s PRO 967 Ca 0.83 0.27 -0.09 0.00 0.02 0.00 0.00 61.00 62.03 1ppq s PRO 967 Cb -0.43 -1.42 0.12 0.00 0.02 0.00 0.00 34.50 32.78 1ppq s PRO 967 CO 0.38 -4.61 0.33 0.16 -0.33 0.00 0.00 177.00 172.93 1ppq s ASP 968 N -3.04 5.69 0.44 2.53 -4.77 -1.26 -4.90 116.67 111.35 1ppq s ASP 968 Ca 0.69 -1.88 -0.23 0.00 -3.30 0.00 0.00 52.55 47.83 1ppq s ASP 968 Cb -0.16 -2.00 -0.10 0.00 -1.09 0.00 0.00 42.92 39.57 1ppq s ASP 968 CO 0.59 -0.68 0.87 -2.65 0.70 0.00 0.00 175.17 174.01 1ppq n PRO 969 N 4.90 1.07 -2.18 2.11 -0.02 -1.26 -4.91 135.00 134.70 1ppq n PRO 969 Ca -0.08 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 1ppq n PRO 969 Cb 0.41 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1ppq n PRO 969 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ppq s VAL 970 N -1.36 2.88 -1.10 -1.45 0.11 -1.26 -3.70 120.40 114.51 1ppq s VAL 970 Ca 0.65 0.84 -0.09 0.00 -2.93 0.00 0.00 61.98 60.45 1ppq s VAL 970 Cb -0.55 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1ppq s VAL 970 CO 0.56 0.17 0.88 0.59 -3.33 0.00 0.00 175.10 173.97 1ppq n ASN 971 N 0.60 -5.54 0.00 3.54 3.02 -1.26 -4.62 115.26 111.00 1ppq n ASN 971 Ca 0.01 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1ppq n ASN 971 Cb 0.43 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1ppq n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppq n GLY 972 N -1.35 2.91 3.88 7.41 0.00 -1.24 -0.15 105.19 116.65 1ppq n GLY 972 Ca -0.11 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1ppq n GLY 972 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ppq s MET 973 N -2.00 3.62 0.02 1.61 0.23 -1.26 -4.53 119.30 116.98 1ppq s MET 973 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 55.69 55.15 1ppq s MET 973 Cb 0.00 -2.25 -0.01 0.00 -1.53 0.00 0.00 34.83 31.04 1ppq s MET 973 CO 0.00 -0.33 -0.03 0.54 -2.03 0.00 0.00 175.02 173.18 1ppq s VAL 974 N -2.86 0.11 0.00 5.16 0.11 -1.26 -3.69 120.40 117.98 1ppq s VAL 974 Ca 0.51 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1ppq s VAL 974 Cb -0.11 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1ppq s VAL 974 CO 0.46 -0.34 0.00 0.00 -3.33 0.00 0.00 175.10 171.89 1ppq n HIS 975 N 2.04 -0.43 -3.21 1.54 1.44 -1.17 -4.92 115.22 110.51 1ppq n HIS 975 Ca -0.20 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.36 1ppq n HIS 975 Cb 0.56 0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.70 1ppq n HIS 975 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1ppq n VAL 976 N -0.03 -4.81 -0.08 0.61 0.31 -1.26 -4.89 118.33 108.17 1ppq n VAL 976 Ca 0.00 0.56 -0.21 0.00 -0.01 0.00 0.00 64.34 64.68 1ppq n VAL 976 Cb 0.00 -4.10 -0.12 0.00 -0.91 0.00 0.00 33.84 28.71 1ppq n VAL 976 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ppq n ILE 977 N 0.54 1.60 0.00 2.52 2.08 -1.26 -4.96 119.36 119.89 1ppq n ILE 977 Ca -0.02 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1ppq n ILE 977 Cb 0.50 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 1ppq n ILE 977 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1ppq n THR 978 N -3.54 0.00 -3.66 1.39 -1.04 -1.26 -5.11 114.28 101.06 1ppq n THR 978 Ca -0.41 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 1ppq n THR 978 Cb 0.97 -0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 69.35 1ppq n THR 978 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ppq s ASP 979 N -1.89 -0.44 -0.59 8.00 1.01 -1.26 -5.05 116.67 116.44 1ppq s ASP 979 Ca 0.00 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1ppq s ASP 979 Cb 0.00 1.34 0.44 0.00 1.01 0.00 0.00 42.92 45.71 1ppq s ASP 979 CO 0.00 -0.22 1.81 2.30 0.21 0.00 0.00 175.17 179.27 1ppq n ILE 980 N 5.11 3.34 -2.24 0.77 -5.35 -1.26 -4.72 119.36 115.00 1ppq n ILE 980 Ca -0.13 -3.43 -0.12 0.00 -0.27 0.00 0.00 62.75 58.80 1ppq n ILE 980 Cb 0.51 -1.17 0.07 0.00 -1.74 0.00 0.00 39.64 37.31 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppq n GLN 981 N -0.82 0.07 -1.91 6.28 3.00 -1.26 -1.24 117.38 121.50 1ppq n GLN 981 Ca 0.57 -1.31 -0.41 0.00 -0.01 0.00 0.00 57.00 55.84 1ppq n GLN 981 Cb 0.69 -0.41 -0.01 0.00 0.00 0.00 0.00 30.24 30.51 1ppq n GLN 981 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ppq s VAL 982 N -1.65 2.28 0.00 5.09 0.11 -1.26 -2.46 120.40 122.52 1ppq s VAL 982 Ca 0.34 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 1ppq s VAL 982 Cb -0.02 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 1ppq s VAL 982 CO 0.23 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1ppq n GLY 983 N 0.65 0.74 3.97 6.54 0.00 -1.16 -5.04 105.19 110.88 1ppq n GLY 983 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1ppq n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppq s SER 984 N -2.45 5.24 -0.32 1.61 0.01 -1.03 -4.97 113.70 111.80 1ppq s SER 984 Ca 0.00 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1ppq s SER 984 Cb 0.00 -0.87 0.14 0.00 0.21 0.00 0.00 66.02 65.51 1ppq s SER 984 CO 0.00 -1.17 0.31 -0.60 0.41 0.00 0.00 173.24 172.19 1ppq s ARG 985 N -4.79 0.42 0.00 12.44 3.52 -1.26 -3.44 118.95 125.84 1ppq s ARG 985 Ca 0.58 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1ppq s ARG 985 Cb -0.10 -0.70 0.00 0.00 -1.56 0.00 0.00 34.95 32.59 1ppq s ARG 985 CO 0.39 -1.09 0.00 0.44 -0.81 0.00 0.00 175.30 174.23 1ppq n ILE 986 N 4.95 0.00 -3.72 4.11 -6.64 -1.23 -4.95 119.36 111.88 1ppq n ILE 986 Ca 0.02 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.87 1ppq n ILE 986 Cb 0.46 -1.50 -0.08 0.00 -1.44 0.00 0.00 39.64 37.08 1ppq n ILE 986 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1ppq s THR 987 N 0.13 0.06 -0.31 7.28 -4.23 -1.26 -3.55 115.64 113.75 1ppq s THR 987 Ca 0.00 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1ppq s THR 987 Cb 0.00 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 1ppq s THR 987 CO 0.00 -0.27 0.19 -0.31 -0.54 0.00 0.00 174.62 173.69 1ppq s TYR 988 N -1.78 3.20 0.00 3.99 1.51 -1.04 -3.04 117.35 120.19 1ppq s TYR 988 Ca -0.10 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1ppq s TYR 988 Cb -0.03 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.42 1ppq s TYR 988 CO 0.02 -0.36 0.00 0.43 -1.11 0.00 0.00 175.55 174.53 1ppq n SER 989 N 5.04 0.00 -1.32 2.29 7.64 -1.24 -4.85 113.62 121.18 1ppq n SER 989 Ca -0.14 0.24 0.11 0.00 1.01 0.00 0.00 58.87 60.09 1ppq n SER 989 Cb 0.50 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ppq n SER 989 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ppq s THR 991 N -4.51 2.30 0.17 0.00 -1.32 0.79 -4.88 115.64 108.18 1ppq s THR 991 Ca 0.00 0.28 -0.34 0.00 -1.21 0.00 0.00 61.69 60.43 1ppq s THR 991 Cb 0.00 -3.17 -0.14 0.00 -1.51 0.00 0.00 72.50 67.68 1ppq s THR 991 CO 0.00 0.05 1.55 0.41 -2.21 0.00 0.00 174.62 174.43 1ppq n THR 992 N 0.25 0.12 0.00 5.08 -1.04 -1.26 -2.10 114.28 115.33 1ppq n THR 992 Ca 0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ppq n THR 992 Cb 0.41 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1ppq n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ppq n GLY 993 N 3.23 2.55 3.57 3.41 0.00 -1.26 -5.04 105.19 111.65 1ppq n GLY 993 Ca 0.16 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1ppq n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppq s HIS 994 N -0.69 2.34 -0.05 1.61 4.02 -0.89 -4.07 115.29 117.54 1ppq s HIS 994 Ca 0.00 0.38 -0.30 0.00 1.02 0.00 0.00 55.06 56.16 1ppq s HIS 994 Cb 0.00 -4.45 -0.03 0.00 -1.02 0.00 0.00 32.58 27.08 1ppq s HIS 994 CO 0.00 -1.91 1.17 0.50 1.02 0.00 0.00 174.74 175.51 1ppq s ARG 995 N 5.47 4.37 0.17 1.40 3.52 -1.26 -4.65 118.95 127.97 1ppq s ARG 995 Ca 0.48 1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 1ppq s ARG 995 Cb -0.10 -3.54 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1ppq s ARG 995 CO 0.23 -0.41 1.20 -0.51 -0.81 0.00 0.00 175.30 175.01 1ppq s LEU 996 N 2.10 4.44 -1.11 -0.88 1.43 -1.25 -2.20 118.68 121.21 1ppq s LEU 996 Ca 0.55 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1ppq s LEU 996 Cb -0.24 -3.60 0.29 0.00 0.03 0.00 0.00 46.19 42.67 1ppq s LEU 996 CO 0.22 -0.39 1.46 -0.38 0.23 0.00 0.00 176.35 177.49 1ppq n ILE 997 N 2.66 5.10 0.00 -0.59 -0.00 -0.90 -4.81 119.36 120.82 1ppq n ILE 997 Ca 0.05 -5.68 0.00 0.00 -0.00 0.00 0.00 62.75 57.12 1ppq n ILE 997 Cb 0.45 -2.20 0.00 0.00 -0.00 0.00 0.00 39.64 37.89 1ppq n ILE 997 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ppq n GLY 998 N 1.74 -0.19 0.00 7.39 0.00 -1.26 -4.21 105.19 108.66 1ppq n GLY 998 Ca 0.27 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1ppq n GLY 998 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ppq n HIS 999 N 0.00 0.00 -1.48 1.61 -0.00 -1.26 -5.01 115.22 109.07 1ppq n HIS 999 Ca 0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 1ppq n HIS 999 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1ppq n HIS 999 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ppq n SER 1000N 0.00 -5.23 -3.61 0.26 2.88 -1.26 -4.90 113.62 101.76 1ppq n SER 1000Ca 0.00 0.41 -0.03 0.00 -1.33 0.00 0.00 58.87 57.92 1ppq n SER 1000Cb 0.00 -4.19 -0.01 0.00 -0.75 0.00 0.00 64.21 59.25 1ppq n SER 1000CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ppq s SER 1001N -2.74 -0.17 0.19 -3.46 0.15 -1.26 -2.48 113.70 103.92 1ppq s SER 1001Ca 0.00 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1ppq s SER 1001Cb 0.00 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1ppq s SER 1001CO 0.00 -0.47 0.60 0.00 1.20 0.00 0.00 173.24 174.57 1ppq s ALA 1002N -2.75 -1.37 -0.08 5.45 0.00 -1.23 -4.68 121.76 117.10 1ppq s ALA 1002Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1ppq s ALA 1002Cb 0.01 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1ppq s ALA 1002CO -0.04 -0.83 0.00 -2.00 0.00 0.00 0.00 175.76 172.89 1ppq s GLU 1003N -3.81 0.65 -0.64 0.00 2.12 -1.26 -3.53 118.70 112.23 1ppq s GLU 1003Ca 0.05 0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.16 1ppq s GLU 1003Cb -0.02 -1.09 -0.00 0.00 0.26 0.00 0.00 34.13 33.28 1ppq s GLU 1003CO -0.07 -0.33 1.62 0.00 -0.54 0.00 0.00 175.26 175.94 1ppq s ILE 1005N 7.55 2.75 -0.62 0.00 -4.36 -0.93 -2.97 121.20 122.62 1ppq s ILE 1005Ca 0.55 -1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 59.25 1ppq s ILE 1005Cb -0.11 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 1ppq s ILE 1005CO 0.20 0.18 1.80 -0.76 0.24 0.00 0.00 174.94 176.60 1ppq s LEU 1006N -1.89 3.28 0.50 0.37 1.02 -1.26 -1.98 118.68 118.73 1ppq s LEU 1006Ca 0.16 0.28 0.30 0.00 0.02 0.00 0.00 54.13 54.89 1ppq s LEU 1006Cb -0.10 -2.56 1.03 0.00 0.02 0.00 0.00 46.19 44.57 1ppq s LEU 1006CO 0.08 -2.30 1.86 0.77 0.02 0.00 0.00 176.35 176.77 1ppq h SER 1007N 14.38 0.00 0.00 2.29 4.64 -1.78 -3.48 113.55 129.60 1ppq h SER 1007Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ppq h SER 1007Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ppq h SER 1007CO 1.22 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 1ppq n GLY 1008N 0.39 -1.77 1.18 -0.77 0.00 -1.26 -4.95 105.19 98.01 1ppq n GLY 1008Ca 0.02 0.80 0.11 0.00 0.00 0.00 0.00 46.02 46.95 1ppq n GLY 1008CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ppq n ASN 1009N 0.00 3.59 -3.70 1.61 5.03 -1.26 -4.94 115.26 115.58 1ppq n ASN 1009Ca 0.00 -1.98 -0.14 0.00 0.87 0.00 0.00 54.58 53.33 1ppq n ASN 1009Cb 0.00 -0.33 -0.09 0.00 -1.02 0.00 0.00 39.78 38.34 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ppq s THR 1010N -1.27 0.02 -0.36 3.41 2.01 -1.26 -4.94 115.64 113.24 1ppq s THR 1010Ca 0.41 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 1ppq s THR 1010Cb 0.23 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 72.07 1ppq s THR 1010CO 0.31 -0.09 1.18 0.00 -0.69 0.00 0.00 174.62 175.33 1ppq s ALA 1011N -0.48 3.33 0.01 7.40 0.00 -1.26 -3.04 121.76 127.72 1ppq s ALA 1011Ca -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1ppq s ALA 1011Cb -0.03 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 1ppq s ALA 1011CO 0.03 -1.84 -0.15 -1.01 0.00 0.00 0.00 175.76 172.79 1ppq s HIS 1012N 4.20 1.31 0.62 0.00 3.76 -0.84 -4.61 115.29 119.73 1ppq s HIS 1012Ca 0.50 -0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 54.96 1ppq s HIS 1012Cb -0.12 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 1ppq s HIS 1012CO 0.23 0.00 1.16 -1.58 -0.85 0.00 0.00 174.74 173.71 1ppq s TRP 1013N -0.50 2.46 -0.01 1.40 0.52 -1.26 -2.18 118.94 119.38 1ppq s TRP 1013Ca 0.05 1.54 -0.17 0.00 0.02 0.00 0.00 56.10 57.54 1ppq s TRP 1013Cb -0.06 -3.36 -0.09 0.00 -1.15 0.00 0.00 33.47 28.81 1ppq s TRP 1013CO 0.00 -1.98 0.84 0.77 0.02 0.00 0.00 176.95 176.60 1ppq h SER 1014N 0.59 -0.52 -3.20 2.95 0.02 -1.63 -3.46 113.55 108.30 1ppq h SER 1014Ca -0.49 0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.08 1ppq h SER 1014Cb 1.28 0.14 0.21 0.00 0.14 0.00 0.00 62.40 64.16 1ppq h SER 1014CO 0.54 -0.21 -0.03 0.42 -1.14 0.00 0.00 176.83 176.41 1ppq s THR 1015N -3.69 1.33 -0.00 -2.27 -4.23 -1.26 -5.02 115.64 100.50 1ppq s THR 1015Ca -0.09 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1ppq s THR 1015Cb 0.01 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1ppq s THR 1015CO 0.27 0.00 -0.03 -1.59 -0.54 0.00 0.00 174.62 172.73 1ppq s LYS 1016N -5.21 2.70 -0.33 3.99 0.00 -1.26 -5.01 119.74 114.62 1ppq s LYS 1016Ca 0.70 -0.65 -0.33 0.00 0.00 0.00 0.00 55.97 55.69 1ppq s LYS 1016Cb -0.12 -2.61 -0.09 0.00 0.00 0.00 0.00 37.83 35.01 1ppq s LYS 1016CO 0.57 0.62 2.22 -2.30 0.00 0.00 0.00 175.35 176.46 1ppq n PRO 1017N 1.49 1.31 -1.37 1.78 -0.02 -1.26 -4.64 135.00 132.29 1ppq n PRO 1017Ca -0.15 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1ppq n PRO 1017Cb 0.53 -2.71 0.23 0.00 -0.02 0.00 0.00 33.50 31.52 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ppq s PRO 1018N 6.41 -0.75 0.08 0.52 0.04 -1.26 -4.96 135.00 135.07 1ppq s PRO 1018Ca 1.07 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 1ppq s PRO 1018Cb -0.68 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1ppq s PRO 1018CO 0.44 -3.37 0.11 -1.50 0.04 0.00 0.00 177.00 172.72 1ppq s ILE 1019N -3.32 0.17 -0.53 0.56 1.10 -1.26 -4.91 121.20 113.01 1ppq s ILE 1019Ca 0.73 -1.41 -0.19 0.00 -0.51 0.00 0.00 60.65 59.27 1ppq s ILE 1019Cb -0.07 -1.42 0.07 0.00 0.15 0.00 0.00 42.46 41.19 1ppq s ILE 1019CO 0.55 -0.76 0.62 0.00 -2.11 0.00 0.00 174.94 173.24 1ppq h GLN 1021N 9.02 0.98 -4.35 0.00 4.15 -1.71 -3.47 115.11 119.74 1ppq h GLN 1021Ca -0.28 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1ppq h GLN 1021Cb 1.09 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1ppq h GLN 1021CO 0.99 0.91 -0.90 -2.13 -1.93 0.00 0.00 178.83 175.78 1ppq n ARG 1022N -4.32 -4.93 -3.55 1.69 0.63 -1.26 -4.93 116.66 99.98 1ppq n ARG 1022Ca 0.03 3.59 -0.30 0.00 -0.92 0.00 0.00 57.85 60.25 1ppq n ARG 1022Cb 0.26 -4.23 -0.04 0.00 0.45 0.00 0.00 32.46 28.90 1ppq n ARG 1022CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1ppq s ILE 1023N -0.52 5.10 -2.00 5.15 -5.25 -1.26 -4.97 121.20 117.45 1ppq s ILE 1023Ca 0.00 0.00 0.13 0.00 -0.99 0.00 0.00 60.65 59.79 1ppq s ILE 1023Cb 0.00 -3.68 0.36 0.00 2.95 0.00 0.00 42.46 42.09 1ppq s ILE 1023CO 0.00 -0.13 1.18 -0.81 -1.79 0.00 0.00 174.94 173.39