#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq n ALA 958 N 0.00 2.32 -3.23 4.31 0.00 -1.26 -5.09 120.51 117.55 1ppq n ALA 958 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ppq n ALA 958 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ppq n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ppq s GLU 959 N -1.61 0.59 0.00 0.00 2.56 -1.26 -4.98 118.70 113.99 1ppq s GLU 959 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.97 55.10 1ppq s GLU 959 Cb 0.00 -0.05 0.07 0.00 2.00 0.00 0.00 34.13 36.15 1ppq s GLU 959 CO 0.00 -1.09 0.84 0.00 -0.56 0.00 0.00 175.26 174.45 1ppq n ALA 960 N 5.05 2.48 -2.79 6.30 0.00 -1.26 -5.11 120.51 125.18 1ppq n ALA 960 Ca 0.06 -0.77 -0.37 0.00 0.00 0.00 0.00 53.44 52.37 1ppq n ALA 960 Cb 0.52 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1ppq n ALA 960 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ppq s LYS 961 N 0.00 3.72 0.00 0.00 -2.85 -1.26 -3.01 119.74 116.34 1ppq s LYS 961 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 1ppq s LYS 961 Cb 0.06 -3.26 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1ppq s LYS 961 CO -0.03 0.63 0.36 -1.13 0.10 0.00 0.00 175.35 175.28 1ppq n SER 962 N 2.40 -0.30 -4.77 0.03 3.41 -1.20 -4.96 113.62 108.23 1ppq n SER 962 Ca -0.18 -0.71 -0.37 0.00 -0.26 0.00 0.00 58.87 57.35 1ppq n SER 962 Cb 0.54 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppq s LYS 964 N -0.04 3.17 0.61 0.00 1.02 -1.26 -4.95 119.74 118.29 1ppq s LYS 964 Ca 0.20 -0.58 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 1ppq s LYS 964 Cb -0.14 -4.25 -0.03 0.00 -0.52 0.00 0.00 37.83 32.88 1ppq s LYS 964 CO 0.08 -1.98 1.11 -2.37 -0.92 0.00 0.00 175.35 171.26 1ppq n THR 965 N 6.15 4.15 -2.54 2.17 5.66 -1.26 -4.83 114.28 123.78 1ppq n THR 965 Ca 0.01 -0.50 -0.39 0.00 -3.05 0.00 0.00 64.05 60.12 1ppq n THR 965 Cb 0.47 -1.30 -0.04 0.00 -1.55 0.00 0.00 70.33 67.91 1ppq n THR 965 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1ppq s PRO 966 N -2.98 4.46 0.39 1.09 0.04 -1.26 -5.04 135.00 131.71 1ppq s PRO 966 Ca 0.78 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 63.21 1ppq s PRO 966 Cb -0.40 -2.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1ppq s PRO 966 CO 0.45 0.09 1.08 -1.25 0.04 0.00 0.00 177.00 177.41 1ppq s PRO 967 N -1.89 4.15 -0.12 0.56 0.04 -1.26 -4.93 135.00 131.55 1ppq s PRO 967 Ca 0.50 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 1ppq s PRO 967 Cb -0.27 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1ppq s PRO 967 CO 0.34 -0.18 1.51 0.16 0.04 0.00 0.00 177.00 178.87 1ppq s ASP 968 N -1.42 6.72 0.63 6.66 -4.77 -1.26 -4.96 116.67 118.26 1ppq s ASP 968 Ca 0.57 1.94 0.00 0.00 -3.30 0.00 0.00 52.55 51.76 1ppq s ASP 968 Cb -0.25 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1ppq s ASP 968 CO 0.31 -0.92 0.00 -0.81 0.70 0.00 0.00 175.17 174.45 1ppq n PRO 969 N 7.04 0.18 -2.36 2.11 -0.04 -1.26 -4.94 135.00 135.72 1ppq n PRO 969 Ca 0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 1ppq n PRO 969 Cb 0.44 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 1ppq n PRO 969 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ppq s VAL 970 N -0.63 3.43 -1.55 0.52 0.11 -1.26 -3.09 120.40 117.94 1ppq s VAL 970 Ca 0.00 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 1ppq s VAL 970 Cb 0.00 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1ppq s VAL 970 CO 0.00 0.24 0.00 0.59 -3.33 0.00 0.00 175.10 172.60 1ppq n ASN 971 N 2.02 -3.94 -4.16 3.54 3.02 -1.26 -4.68 115.26 109.80 1ppq n ASN 971 Ca 0.03 0.35 -0.11 0.00 -0.03 0.00 0.00 54.58 54.82 1ppq n ASN 971 Cb 0.44 -3.61 -0.10 0.00 -0.61 0.00 0.00 39.78 35.90 1ppq n ASN 971 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ppq s GLY 972 N -2.24 0.74 -0.22 7.41 0.00 -1.18 0.29 107.32 112.11 1ppq s GLY 972 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 1ppq s GLY 972 CO 0.00 -1.36 0.54 -3.16 0.00 0.00 0.00 173.10 169.12 1ppq s MET 973 N -3.48 0.53 1.11 2.90 0.23 -0.66 -4.12 119.30 115.80 1ppq s MET 973 Ca 0.09 1.02 -0.17 0.00 -1.03 0.00 0.00 55.69 55.60 1ppq s MET 973 Cb 0.03 0.12 0.24 0.00 -1.53 0.00 0.00 34.83 33.69 1ppq s MET 973 CO -0.04 -0.16 1.14 0.14 -2.03 0.00 0.00 175.02 174.07 1ppq s VAL 974 N 1.68 1.76 -0.35 5.16 -7.23 -1.26 -3.65 120.40 116.50 1ppq s VAL 974 Ca -0.09 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1ppq s VAL 974 Cb -0.08 -2.59 0.15 0.00 0.56 0.00 0.00 36.38 34.43 1ppq s VAL 974 CO -0.16 0.00 0.35 -2.28 -0.31 0.00 0.00 175.10 172.70 1ppq s HIS 975 N -3.15 -0.32 0.20 2.82 2.46 -1.13 -4.88 115.29 111.28 1ppq s HIS 975 Ca 0.70 -0.68 -0.30 0.00 0.47 0.00 0.00 55.06 55.25 1ppq s HIS 975 Cb -0.11 -0.43 -0.08 0.00 -0.13 0.00 0.00 32.58 31.83 1ppq s HIS 975 CO 0.56 -0.95 1.22 0.14 -2.47 0.00 0.00 174.74 173.23 1ppq s VAL 976 N 1.65 3.47 0.00 0.89 -7.23 -1.26 -2.41 120.40 115.51 1ppq s VAL 976 Ca 0.15 1.25 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 1ppq s VAL 976 Cb -0.15 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 32.99 1ppq s VAL 976 CO -0.11 0.20 0.91 -0.38 -0.31 0.00 0.00 175.10 175.42 1ppq n ILE 977 N 2.42 0.00 0.00 -0.62 2.08 -1.26 -4.79 119.36 117.19 1ppq n ILE 977 Ca 0.04 1.41 0.00 0.00 0.56 0.00 0.00 62.75 64.76 1ppq n ILE 977 Cb 0.44 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.13 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 -2.12 0.00 -4.23 1.39 -1.04 -1.26 -5.14 114.28 101.87 1ppq n THR 978 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1ppq n THR 978 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ppq n ASP 979 N -0.87 -0.83 -3.14 8.00 8.00 -1.26 -5.09 116.55 121.36 1ppq n ASP 979 Ca 0.00 -3.09 -0.27 0.00 0.71 0.00 0.00 54.79 52.13 1ppq n ASP 979 Cb 0.00 1.82 -0.06 0.00 -0.02 0.00 0.00 41.12 42.86 1ppq n ASP 979 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ppq n ILE 980 N -0.61 2.84 -4.35 0.53 5.41 -1.26 -4.98 119.36 116.94 1ppq n ILE 980 Ca 0.06 -5.45 -0.28 0.00 1.00 0.00 0.00 62.75 58.07 1ppq n ILE 980 Cb 0.59 -1.68 -0.12 0.00 -0.71 0.00 0.00 39.64 37.72 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ppq s GLN 981 N -3.09 1.65 0.17 0.38 -2.07 -1.26 -3.27 119.66 112.16 1ppq s GLN 981 Ca 0.45 -1.30 -0.32 0.00 -1.82 0.00 0.00 55.36 52.37 1ppq s GLN 981 Cb 0.23 -2.01 -0.12 0.00 -1.09 0.00 0.00 33.01 30.02 1ppq s GLN 981 CO -0.09 0.45 1.75 1.55 -1.32 0.00 0.00 175.29 177.64 1ppq n VAL 982 N 0.64 0.15 0.00 3.63 3.14 -1.16 -2.33 118.33 122.39 1ppq n VAL 982 Ca -0.15 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1ppq n VAL 982 Cb 0.54 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.34 1ppq n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppq n GLY 983 N 4.01 2.43 3.74 7.55 0.00 -1.26 -4.99 105.19 116.67 1ppq n GLY 983 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1ppq n GLY 983 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ppq n SER 984 N 0.00 0.30 -3.29 1.61 3.41 -0.98 -5.00 113.62 109.66 1ppq n SER 984 Ca 0.00 -1.57 -0.17 0.00 -0.26 0.00 0.00 58.87 56.86 1ppq n SER 984 Cb 0.00 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 62.95 1ppq n SER 984 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ppq s ARG 985 N -5.68 0.76 1.06 4.33 3.52 -1.26 -4.08 118.95 117.59 1ppq s ARG 985 Ca 0.72 -1.16 -0.15 0.00 -0.13 0.00 0.00 55.73 55.01 1ppq s ARG 985 Cb -0.02 -0.78 0.22 0.00 -1.56 0.00 0.00 34.95 32.80 1ppq s ARG 985 CO 0.50 -1.26 1.11 0.96 -0.81 0.00 0.00 175.30 175.80 1ppq s ILE 986 N 1.06 1.88 0.40 4.11 -4.36 -1.20 -4.71 121.20 118.37 1ppq s ILE 986 Ca 0.22 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.66 1ppq s ILE 986 Cb -0.10 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 1ppq s ILE 986 CO -0.06 0.00 0.04 0.42 0.24 0.00 0.00 174.94 175.58 1ppq s THR 987 N -3.04 1.45 -0.33 8.37 -4.23 -1.01 -2.35 115.64 114.49 1ppq s THR 987 Ca 0.67 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1ppq s THR 987 Cb -0.15 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.09 1ppq s THR 987 CO 0.57 0.00 0.19 -0.47 -0.54 0.00 0.00 174.62 174.36 1ppq s TYR 988 N -2.98 0.57 -0.13 3.99 6.14 -1.26 -2.84 117.35 120.84 1ppq s TYR 988 Ca 0.29 -1.38 0.00 0.00 0.64 0.00 0.00 57.07 56.62 1ppq s TYR 988 Cb 0.07 -0.89 -0.01 0.00 0.42 0.00 0.00 41.96 41.55 1ppq s TYR 988 CO 0.14 -0.83 -0.13 -1.54 0.64 0.00 0.00 175.55 173.83 1ppq s SER 989 N 1.39 3.98 0.57 4.32 1.04 -1.24 -4.62 113.70 119.13 1ppq s SER 989 Ca 0.15 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1ppq s SER 989 Cb -0.21 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1ppq s SER 989 CO -0.10 0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.29 1ppq s THR 991 N -0.14 3.52 -0.32 0.00 -1.32 0.14 -4.78 115.64 112.75 1ppq s THR 991 Ca 0.00 0.96 -0.28 0.00 -1.21 0.00 0.00 61.69 61.16 1ppq s THR 991 Cb 0.00 -3.39 -0.06 0.00 -1.51 0.00 0.00 72.50 67.53 1ppq s THR 991 CO 0.00 -0.19 2.29 0.41 -2.21 0.00 0.00 174.62 174.92 1ppq n THR 992 N -1.06 0.19 0.00 5.08 -1.04 -1.26 -1.88 114.28 114.31 1ppq n THR 992 Ca 0.10 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1ppq n THR 992 Cb 0.52 -2.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 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 5.92 0.69 2.74 3.41 0.00 -1.26 -5.11 105.19 111.59 1ppq n GLY 993 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.45 1.20 0.37 1.61 4.02 -0.79 -2.68 115.29 117.58 1ppq s HIS 994 Ca 0.00 -1.05 -0.24 0.00 1.02 0.00 0.00 55.06 54.79 1ppq s HIS 994 Cb 0.00 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.58 30.31 1ppq s HIS 994 CO 0.00 -0.67 0.99 -0.98 1.02 0.00 0.00 174.74 175.10 1ppq s ARG 995 N 1.80 4.34 0.27 1.40 1.04 0.97 -4.60 118.95 124.17 1ppq s ARG 995 Ca 0.01 1.38 -0.29 0.00 -1.04 0.00 0.00 55.73 55.79 1ppq s ARG 995 Cb -0.17 -2.58 -0.09 0.00 -2.04 0.00 0.00 34.95 30.06 1ppq s ARG 995 CO -0.11 0.04 0.95 -0.51 -0.04 0.00 0.00 175.30 175.63 1ppq s LEU 996 N -2.50 4.54 -0.93 -1.89 1.43 -1.26 -2.57 118.68 115.50 1ppq s LEU 996 Ca 0.55 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1ppq s LEU 996 Cb -0.19 -3.75 0.31 0.00 0.03 0.00 0.00 46.19 42.60 1ppq s LEU 996 CO 0.24 0.06 1.48 -0.38 0.23 0.00 0.00 176.35 177.97 1ppq n ILE 997 N 1.15 5.03 0.00 -0.59 -0.00 -1.16 -4.90 119.36 118.89 1ppq n ILE 997 Ca -0.01 -5.83 0.00 0.00 -0.00 0.00 0.00 62.75 56.91 1ppq n ILE 997 Cb 0.48 -1.72 0.00 0.00 -0.00 0.00 0.00 39.64 38.40 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 0.36 1.37 0.01 7.39 0.00 -1.26 -4.36 105.19 108.70 1ppq n GLY 998 Ca 0.37 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.55 1.61 -0.00 -1.26 -4.98 115.22 109.03 1ppq n HIS 999 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 1ppq n HIS 999 Cb 0.00 -0.23 -0.08 0.00 -0.12 0.00 0.00 29.99 29.56 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 -1.86 -5.48 -3.64 0.26 2.88 -1.26 -4.86 113.62 99.66 1ppq n SER 1000Ca -0.02 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1ppq n SER 1000Cb 0.27 -4.71 0.01 0.00 -0.75 0.00 0.00 64.21 59.04 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 -2.69 -0.00 -0.01 -3.46 0.15 -1.26 -4.07 113.70 102.35 1ppq s SER 1001Ca 0.00 -0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 1ppq s SER 1001Cb 0.00 0.28 0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1ppq s SER 1001CO 0.00 -0.56 0.56 0.00 1.20 0.00 0.00 173.24 174.44 1ppq s ALA 1002N -2.13 -1.46 -0.15 5.45 0.00 -0.99 -4.50 121.76 117.99 1ppq s ALA 1002Ca 0.25 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 1ppq s ALA 1002Cb -0.01 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1ppq s ALA 1002CO 0.01 -0.40 0.23 -2.00 0.00 0.00 0.00 175.76 173.60 1ppq s GLU 1003N -1.66 0.14 -0.40 0.00 2.12 -1.26 -3.25 118.70 114.39 1ppq s GLU 1003Ca -0.09 0.49 -0.27 0.00 0.36 0.00 0.00 54.97 55.45 1ppq s GLU 1003Cb -0.01 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.78 1ppq s GLU 1003CO 0.05 -0.44 2.08 0.00 -0.54 0.00 0.00 175.26 176.41 1ppq n ILE 1005N 7.62 0.00 -3.35 0.00 -5.35 0.42 -4.17 119.36 114.53 1ppq n ILE 1005Ca 0.28 -0.25 0.05 0.00 -0.27 0.00 0.00 62.75 62.56 1ppq n ILE 1005Cb 0.50 -0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 37.47 1ppq n ILE 1005CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ppq n LEU 1006N 0.00 0.00 -3.82 7.28 4.77 -1.26 -2.96 117.00 121.01 1ppq n LEU 1006Ca 0.02 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.38 1ppq n LEU 1006Cb 0.08 -1.15 0.01 0.00 -2.33 0.00 0.00 43.42 40.02 1ppq n LEU 1006CO 0.05 -1.63 0.86 -0.44 -1.33 0.00 0.00 177.39 174.89 1ppq s SER 1007N -4.69 -0.05 2.00 -1.43 0.01 -0.84 -4.78 113.70 103.92 1ppq s SER 1007Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1ppq s SER 1007Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1ppq s SER 1007CO 0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1ppq n GLY 1008N -0.63 4.02 0.27 3.44 0.00 -1.26 -0.86 105.19 110.18 1ppq n GLY 1008Ca -0.04 0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1ppq n GLY 1008CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ppq h ASN 1009N 0.00 0.00 -2.67 1.61 -0.73 -2.01 -3.43 115.58 108.35 1ppq h ASN 1009Ca 0.00 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.60 1ppq h ASN 1009Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1ppq h ASN 1009CO 0.00 0.05 -0.48 0.42 -0.37 0.00 0.00 177.43 177.04 1ppq s THR 1010N -3.76 5.27 0.00 -3.57 -4.23 -0.04 -5.08 115.64 104.22 1ppq s THR 1010Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1ppq s THR 1010Cb 0.10 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1ppq s THR 1010CO 0.55 -0.03 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1ppq n ALA 1011N -0.29 0.00 -2.21 3.99 0.00 -1.26 -1.98 120.51 118.76 1ppq n ALA 1011Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1ppq n ALA 1011Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1ppq n ALA 1011CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ppq s HIS 1012N 0.00 1.14 -0.17 0.00 3.76 -1.16 -4.21 115.29 114.66 1ppq s HIS 1012Ca 0.00 -1.26 -0.06 0.00 -0.15 0.00 0.00 55.06 53.59 1ppq s HIS 1012Cb 0.00 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1ppq s HIS 1012CO 0.00 -0.50 0.03 -1.58 -0.85 0.00 0.00 174.74 171.84 1ppq s TRP 1013N -4.00 3.18 0.03 1.40 0.52 -1.26 -0.43 118.94 118.37 1ppq s TRP 1013Ca 0.33 -0.03 0.28 0.00 0.02 0.00 0.00 56.10 56.70 1ppq s TRP 1013Cb 0.07 -2.02 1.51 0.00 -1.15 0.00 0.00 33.47 31.88 1ppq s TRP 1013CO 0.08 0.12 1.86 0.77 0.02 0.00 0.00 176.95 179.81 1ppq h SER 1014N 6.58 0.00 -3.53 2.95 0.02 -1.88 -3.42 113.55 114.27 1ppq h SER 1014Ca -0.36 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.06 1ppq h SER 1014Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1ppq h SER 1014CO 0.67 0.00 0.14 0.28 -1.14 0.00 0.00 176.83 176.79 1ppq s THR 1015N -3.70 4.46 0.36 -2.27 -1.32 -1.26 -5.00 115.64 106.90 1ppq s THR 1015Ca -0.03 1.52 -0.14 0.00 -1.21 0.00 0.00 61.69 61.84 1ppq s THR 1015Cb 0.08 -4.02 -0.08 0.00 -1.51 0.00 0.00 72.50 66.97 1ppq s THR 1015CO 0.27 0.40 0.76 -1.59 -2.21 0.00 0.00 174.62 172.25 1ppq s LYS 1016N -1.46 3.94 -0.48 7.08 -2.85 -1.26 -4.97 119.74 119.73 1ppq s LYS 1016Ca 0.38 0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 55.69 1ppq s LYS 1016Cb -0.20 -2.40 -0.10 0.00 -2.06 0.00 0.00 37.83 33.07 1ppq s LYS 1016CO 0.24 0.08 2.37 -0.35 0.10 0.00 0.00 175.35 177.79 1ppq n PRO 1017N -0.68 1.07 -2.06 1.78 -0.04 -1.26 -4.67 135.00 129.13 1ppq n PRO 1017Ca 0.03 0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 1ppq n PRO 1017Cb 0.53 -2.91 0.18 0.00 -0.04 0.00 0.00 33.50 31.26 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ppq s PRO 1018N 7.58 0.74 0.26 0.54 0.04 -1.26 -5.00 135.00 137.91 1ppq s PRO 1018Ca 1.07 -0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.60 1ppq s PRO 1018Cb -0.51 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1ppq s PRO 1018CO 0.36 -2.30 -0.10 0.42 0.04 0.00 0.00 177.00 175.43 1ppq s ILE 1019N -3.78 1.76 -0.82 0.56 -1.09 -1.26 -4.93 121.20 111.64 1ppq s ILE 1019Ca 0.73 -2.18 0.01 0.00 -2.23 0.00 0.00 60.65 56.99 1ppq s ILE 1019Cb -0.04 -2.33 0.21 0.00 -1.58 0.00 0.00 42.46 38.73 1ppq s ILE 1019CO 0.52 -0.39 0.72 0.00 -1.23 0.00 0.00 174.94 174.56 1ppq s GLN 1021N -1.58 3.88 0.24 0.00 2.00 -1.06 -4.83 119.66 118.31 1ppq s GLN 1021Ca 0.28 0.08 -0.31 0.00 -2.00 0.00 0.00 55.36 53.41 1ppq s GLN 1021Cb -0.04 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.37 1ppq s GLN 1021CO -0.12 0.56 1.66 0.50 -0.50 0.00 0.00 175.29 177.38 1ppq s ARG 1022N -0.49 4.13 0.11 1.67 3.52 -1.26 -0.02 118.95 126.61 1ppq s ARG 1022Ca 0.17 2.58 -0.31 0.00 -0.13 0.00 0.00 55.73 58.04 1ppq s ARG 1022Cb -0.14 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 1ppq s ARG 1022CO 0.06 -0.69 1.72 0.42 -0.81 0.00 0.00 175.30 176.00 1ppq s ILE 1023N 0.66 2.73 -2.00 4.11 1.01 -1.09 -4.80 121.20 121.82 1ppq s ILE 1023Ca 0.69 0.28 0.15 0.00 0.00 0.00 0.00 60.65 61.78 1ppq s ILE 1023Cb -0.48 -3.18 0.44 0.00 0.01 0.00 0.00 42.46 39.25 1ppq s ILE 1023CO 0.39 0.00 1.34 -0.81 0.00 0.00 0.00 174.94 175.86