#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 1.67 0.00 0.62 0.00 -1.26 -4.93 120.51 116.61 1ppq n ALA 958 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ppq n ALA 958 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1ppq n ALA 958 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ppq n GLU 959 N 0.00 0.26 -0.98 0.00 4.07 -1.26 -5.11 120.64 117.62 1ppq n GLU 959 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1ppq n GLU 959 Cb 0.54 -0.58 0.09 0.00 -0.06 0.00 0.00 31.44 31.42 1ppq n GLU 959 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ppq n ALA 960 N -1.32 -0.60 -1.13 4.31 0.00 -1.26 -4.91 120.51 115.61 1ppq n ALA 960 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 53.44 52.76 1ppq n ALA 960 Cb 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1ppq n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ppq n LYS 961 N -2.24 -2.62 -2.66 0.00 4.81 -1.26 -4.83 118.16 109.35 1ppq n LYS 961 Ca 0.08 2.14 -0.00 0.00 -0.87 0.00 0.00 58.31 59.66 1ppq n LYS 961 Cb 0.27 -3.06 -0.00 0.00 0.02 0.00 0.00 35.03 32.26 1ppq n LYS 961 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ppq n SER 962 N -3.84 -7.40 -4.77 3.14 2.88 -1.25 -4.94 113.62 97.45 1ppq n SER 962 Ca -0.07 1.39 -0.39 0.00 -1.33 0.00 0.00 58.87 58.46 1ppq n SER 962 Cb 0.54 -5.19 -0.01 0.00 -0.75 0.00 0.00 64.21 58.80 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq n LYS 964 N 0.17 2.20 -1.71 0.00 4.76 -1.08 -4.90 118.16 117.59 1ppq n LYS 964 Ca 0.04 0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 55.71 1ppq n LYS 964 Cb 0.45 -3.17 -0.02 0.00 -1.84 0.00 0.00 35.03 30.44 1ppq n LYS 964 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ppq n THR 965 N 7.16 0.97 -2.20 -0.18 -2.24 -1.26 -4.67 114.28 111.86 1ppq n THR 965 Ca 0.27 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 1ppq n THR 965 Cb 0.43 -1.73 0.01 0.00 -2.10 0.00 0.00 70.33 66.94 1ppq n THR 965 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ppq s PRO 966 N -0.43 3.29 0.53 -0.78 0.04 -1.26 -4.99 135.00 131.39 1ppq s PRO 966 Ca 0.66 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1ppq s PRO 966 Cb -0.57 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1ppq s PRO 966 CO 0.49 -0.90 1.34 -1.25 0.04 0.00 0.00 177.00 176.72 1ppq s PRO 967 N -3.38 3.26 -0.05 0.56 0.04 -1.26 -4.88 135.00 129.28 1ppq s PRO 967 Ca 0.72 2.19 -0.33 0.00 0.04 0.00 0.00 61.00 63.61 1ppq s PRO 967 Cb -0.23 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 1ppq s PRO 967 CO 0.29 -1.08 1.90 -0.40 0.04 0.00 0.00 177.00 177.74 1ppq n ASP 968 N -0.90 3.61 -4.77 6.66 5.75 -1.26 -4.92 116.55 120.72 1ppq n ASP 968 Ca 0.10 0.96 -0.39 0.00 -0.01 0.00 0.00 54.79 55.44 1ppq n ASP 968 Cb 0.45 -1.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.12 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ppq s PRO 969 N 4.08 4.06 0.21 0.11 0.04 -1.26 -4.96 135.00 137.27 1ppq s PRO 969 Ca 0.92 2.10 -0.31 0.00 0.04 0.00 0.00 61.00 63.75 1ppq s PRO 969 Cb -0.63 -2.80 -0.11 0.00 0.04 0.00 0.00 34.50 30.99 1ppq s PRO 969 CO 0.49 -0.40 1.62 0.54 0.04 0.00 0.00 177.00 179.29 1ppq s VAL 970 N -1.27 2.29 -0.63 -0.36 0.11 -1.26 -3.21 120.40 116.08 1ppq s VAL 970 Ca 0.55 0.22 -0.12 0.00 -2.93 0.00 0.00 61.98 59.70 1ppq s VAL 970 Cb -0.37 -3.14 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1ppq s VAL 970 CO 0.48 0.02 0.64 0.59 -3.33 0.00 0.00 175.10 173.50 1ppq n ASN 971 N 3.46 -6.51 0.00 3.54 3.02 -1.26 -4.21 115.26 113.30 1ppq n ASN 971 Ca 0.13 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1ppq n ASN 971 Cb 0.37 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.06 -0.75 3.63 7.41 0.00 -1.20 -0.07 105.19 113.16 1ppq n GLY 972 Ca -0.08 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.88 0.75 0.14 1.61 0.23 -0.49 -4.46 119.30 115.20 1ppq s MET 973 Ca 0.00 0.98 -0.30 0.00 -1.03 0.00 0.00 55.69 55.34 1ppq s MET 973 Cb 0.00 0.32 -0.07 0.00 -1.53 0.00 0.00 34.83 33.56 1ppq s MET 973 CO 0.00 -0.10 0.97 0.54 -2.03 0.00 0.00 175.02 174.40 1ppq s VAL 974 N 0.64 4.35 -0.13 5.16 0.11 -1.26 -3.62 120.40 125.66 1ppq s VAL 974 Ca -0.02 2.03 -0.04 0.00 -2.93 0.00 0.00 61.98 61.03 1ppq s VAL 974 Cb -0.05 -4.30 -0.03 0.00 -1.53 0.00 0.00 36.38 30.47 1ppq s VAL 974 CO -0.05 0.35 0.00 -2.28 -3.33 0.00 0.00 175.10 169.79 1ppq s HIS 975 N -0.25 3.14 -0.88 1.54 2.46 -1.17 -5.03 115.29 115.10 1ppq s HIS 975 Ca 0.46 0.03 -0.16 0.00 0.47 0.00 0.00 55.06 55.86 1ppq s HIS 975 Cb -0.24 -1.90 0.19 0.00 -0.13 0.00 0.00 32.58 30.50 1ppq s HIS 975 CO 0.31 0.26 0.91 0.08 -2.47 0.00 0.00 174.74 173.83 1ppq s VAL 976 N -0.27 5.30 0.02 0.89 1.01 -1.26 -3.70 120.40 122.39 1ppq s VAL 976 Ca 0.06 -2.18 -0.14 0.00 0.00 0.00 0.00 61.98 59.72 1ppq s VAL 976 Cb -0.12 -4.59 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 1ppq s VAL 976 CO 0.02 -1.21 1.18 0.40 0.00 0.00 0.00 175.10 175.48 1ppq h ILE 977 N 5.13 0.00 0.00 2.22 2.04 -1.95 -3.42 117.51 121.53 1ppq h ILE 977 Ca 0.13 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1ppq h ILE 977 Cb 1.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1ppq h ILE 977 CO 0.89 0.00 -0.16 0.41 0.00 0.00 0.00 178.15 179.29 1ppq n THR 978 N -3.37 0.28 -3.78 -0.27 -1.04 -1.26 -5.11 114.28 99.73 1ppq n THR 978 Ca -0.06 0.44 -0.04 0.00 -2.04 0.00 0.00 64.05 62.34 1ppq n THR 978 Cb 0.20 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 1ppq n THR 978 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ppq s ASP 979 N -4.23 -0.18 -0.30 8.00 2.15 -1.26 -5.03 116.67 115.82 1ppq s ASP 979 Ca -0.05 -0.46 0.06 0.00 0.43 0.00 0.00 52.55 52.54 1ppq s ASP 979 Cb 0.01 0.53 0.59 0.00 -0.30 0.00 0.00 42.92 43.75 1ppq s ASP 979 CO 0.07 -0.99 1.66 -0.38 -0.17 0.00 0.00 175.17 175.35 1ppq n ILE 980 N -0.48 2.58 -3.30 4.11 5.41 -1.26 -4.73 119.36 121.69 1ppq n ILE 980 Ca -0.06 -1.39 -0.22 0.00 1.00 0.00 0.00 62.75 62.09 1ppq n ILE 980 Cb 0.60 -0.48 0.05 0.00 -0.71 0.00 0.00 39.64 39.10 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ppq n GLN 981 N -0.33 0.62 -2.54 0.38 10.64 -1.26 -1.21 117.38 123.68 1ppq n GLN 981 Ca 0.39 -3.27 -0.39 0.00 -1.83 0.00 0.00 57.00 51.90 1ppq n GLN 981 Cb 1.29 -0.05 -0.05 0.00 -0.86 0.00 0.00 30.24 30.57 1ppq n GLN 981 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1ppq s VAL 982 N -2.69 3.65 0.00 -0.39 1.01 -1.26 -3.29 120.40 117.43 1ppq s VAL 982 Ca 0.52 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.08 1ppq s VAL 982 Cb -0.04 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1ppq s VAL 982 CO 0.33 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1ppq n GLY 983 N 1.06 0.35 3.98 4.51 0.00 -1.26 -5.04 105.19 108.79 1ppq n GLY 983 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1ppq n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppq s SER 984 N -2.45 5.26 -0.32 1.61 1.04 -1.21 -5.04 113.70 112.59 1ppq s SER 984 Ca 0.00 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.34 1ppq s SER 984 Cb 0.00 -0.75 0.15 0.00 0.10 0.00 0.00 66.02 65.52 1ppq s SER 984 CO 0.00 -1.15 0.38 -0.60 0.98 0.00 0.00 173.24 172.85 1ppq s ARG 985 N -4.73 0.49 0.75 4.02 3.52 -1.26 -4.08 118.95 117.66 1ppq s ARG 985 Ca 0.58 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.80 1ppq s ARG 985 Cb -0.10 -0.52 0.09 0.00 -1.56 0.00 0.00 34.95 32.86 1ppq s ARG 985 CO 0.38 -1.10 1.07 0.96 -0.81 0.00 0.00 175.30 175.81 1ppq s ILE 986 N 2.08 2.19 -0.02 4.11 -4.36 -1.25 -4.80 121.20 119.15 1ppq s ILE 986 Ca 0.12 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.30 1ppq s ILE 986 Cb -0.13 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1ppq s ILE 986 CO -0.21 0.00 -0.06 0.42 0.24 0.00 0.00 174.94 175.33 1ppq s THR 987 N -3.36 0.53 0.04 8.37 -4.23 -1.24 -3.43 115.64 112.31 1ppq s THR 987 Ca 0.63 -0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.73 1ppq s THR 987 Cb -0.09 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.20 1ppq s THR 987 CO 0.46 0.18 0.53 -0.31 -0.54 0.00 0.00 174.62 174.94 1ppq s TYR 988 N 0.22 3.76 -0.05 3.99 2.02 -1.26 -3.04 117.35 123.00 1ppq s TYR 988 Ca -0.03 1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 57.84 1ppq s TYR 988 Cb -0.07 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1ppq s TYR 988 CO -0.00 0.55 0.09 -1.12 -1.57 0.00 0.00 175.55 173.50 1ppq s SER 989 N -0.90 0.21 1.06 2.29 0.01 -1.24 -4.88 113.70 110.25 1ppq s SER 989 Ca 0.28 0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.59 1ppq s SER 989 Cb -0.18 0.06 0.17 0.00 0.21 0.00 0.00 66.02 66.28 1ppq s SER 989 CO 0.17 -0.16 0.86 0.00 0.41 0.00 0.00 173.24 174.51 1ppq h THR 991 N -1.82 1.15 0.00 0.00 1.03 -0.79 -3.40 112.91 109.08 1ppq h THR 991 Ca -0.29 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 1ppq h THR 991 Cb 0.83 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1ppq h THR 991 CO 0.20 0.20 -0.25 0.41 -0.01 0.00 0.00 175.52 176.07 1ppq n THR 992 N -4.33 0.03 0.00 0.00 -1.04 -1.26 -4.96 114.28 102.71 1ppq n THR 992 Ca 0.00 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ppq n THR 992 Cb 0.21 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 1.93 0.00 3.73 3.41 0.00 -1.26 -5.15 105.19 107.85 1ppq n GLY 993 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ppq n GLY 993 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ppq n HIS 994 N 0.00 2.31 -1.80 1.61 8.25 -1.26 -4.85 115.22 119.48 1ppq n HIS 994 Ca 0.00 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.48 1ppq n HIS 994 Cb 0.00 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 28.70 1ppq n HIS 994 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ppq s ARG 995 N -2.62 3.13 0.74 -0.41 6.06 0.42 -4.50 118.95 121.77 1ppq s ARG 995 Ca 0.67 1.66 -0.14 0.00 -2.50 0.00 0.00 55.73 55.41 1ppq s ARG 995 Cb -0.44 -4.31 0.04 0.00 0.06 0.00 0.00 34.95 30.30 1ppq s ARG 995 CO 0.53 -2.10 1.17 -1.17 -2.50 0.00 0.00 175.30 171.24 1ppq s LEU 996 N 7.96 3.26 -0.22 -0.88 2.96 -1.26 -1.70 118.68 128.80 1ppq s LEU 996 Ca 0.90 2.23 -0.05 0.00 -0.22 0.00 0.00 54.13 56.98 1ppq s LEU 996 Cb -0.26 -4.57 -0.02 0.00 0.50 0.00 0.00 46.19 41.83 1ppq s LEU 996 CO 0.33 -2.22 0.00 -0.63 -1.32 0.00 0.00 176.35 172.52 1ppq s ILE 997 N -2.20 3.86 0.00 6.68 1.01 0.24 -4.88 121.20 125.90 1ppq s ILE 997 Ca 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1ppq s ILE 997 Cb -0.26 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1ppq s ILE 997 CO 0.47 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.42 1ppq n GLY 998 N 4.57 0.98 2.83 6.18 0.00 -1.26 -3.38 105.19 115.11 1ppq n GLY 998 Ca -0.17 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1ppq n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppq s HIS 999 N 0.00 -0.05 0.00 1.61 3.76 -1.26 -5.01 115.29 114.33 1ppq s HIS 999 Ca 0.00 0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 55.18 1ppq s HIS 999 Cb 0.00 -0.19 -0.10 0.00 1.11 0.00 0.00 32.58 33.40 1ppq s HIS 999 CO 0.00 -0.13 2.27 0.45 -0.85 0.00 0.00 174.74 176.48 1ppq n SER 1000N 4.29 4.39 -3.56 1.40 2.88 -1.26 -4.77 113.62 116.99 1ppq n SER 1000Ca -0.25 -2.23 -0.07 0.00 -1.33 0.00 0.00 58.87 54.98 1ppq n SER 1000Cb 0.51 -1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 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 2.07 -0.33 0.09 -3.46 0.15 -1.26 -4.07 113.70 106.89 1ppq s SER 1001Ca 0.24 -0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.58 1ppq s SER 1001Cb 0.11 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1ppq s SER 1001CO 0.00 -0.69 0.53 0.00 1.20 0.00 0.00 173.24 174.28 1ppq s ALA 1002N -3.17 -1.35 -0.03 5.45 0.00 -1.22 -4.68 121.76 116.76 1ppq s ALA 1002Ca 0.07 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1ppq s ALA 1002Cb -0.01 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1ppq s ALA 1002CO -0.07 -0.59 -0.04 -2.00 0.00 0.00 0.00 175.76 173.07 1ppq s GLU 1003N -2.96 0.59 -0.87 0.00 2.12 -1.26 -3.79 118.70 112.53 1ppq s GLU 1003Ca -0.02 -0.09 -0.25 0.00 0.36 0.00 0.00 54.97 54.97 1ppq s GLU 1003Cb -0.00 -0.64 0.03 0.00 0.26 0.00 0.00 34.13 33.78 1ppq s GLU 1003CO -0.06 -0.04 1.48 0.00 -0.54 0.00 0.00 175.26 176.10 1ppq s ILE 1005N 6.16 1.68 -0.62 0.00 -4.36 0.01 -4.15 121.20 119.92 1ppq s ILE 1005Ca 0.47 -0.87 0.26 0.00 -0.26 0.00 0.00 60.65 60.24 1ppq s ILE 1005Cb -0.05 -1.42 0.29 0.00 1.25 0.00 0.00 42.46 42.54 1ppq s ILE 1005CO 0.03 0.47 1.75 -0.07 0.24 0.00 0.00 174.94 177.36 1ppq h LEU 1006N 5.98 0.00 1.37 0.37 4.07 -1.79 -1.69 115.31 123.62 1ppq h LEU 1006Ca -0.35 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.38 1ppq h LEU 1006Cb 1.16 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.83 1ppq h LEU 1006CO 0.48 0.00 -0.23 -1.54 -1.08 0.00 0.00 178.44 176.07 1ppq n SER 1007N -2.41 -3.12 0.00 -0.43 3.41 -1.26 -1.05 113.62 108.76 1ppq n SER 1007Ca 0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1ppq n SER 1007Cb 0.41 -2.91 0.00 0.00 -0.26 0.00 0.00 64.21 61.45 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ppq n GLY 1008N -0.35 2.16 0.18 5.00 0.00 -1.26 -4.81 105.19 106.12 1ppq n GLY 1008Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1ppq n GLY 1008CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppq n ASN 1009N 0.00 0.00 -3.80 1.61 0.23 -1.06 -5.07 115.26 107.17 1ppq n ASN 1009Ca 0.00 -1.06 -0.29 0.00 -0.53 0.00 0.00 54.58 52.69 1ppq n ASN 1009Cb 0.00 -0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 37.53 1ppq n ASN 1009CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1ppq s THR 1010N 0.00 0.98 -0.24 5.53 -1.32 -0.21 -4.99 115.64 115.38 1ppq s THR 1010Ca 0.00 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.09 1ppq s THR 1010Cb 0.00 -1.52 -0.02 0.00 -1.51 0.00 0.00 72.50 69.44 1ppq s THR 1010CO 0.00 -0.37 1.66 0.00 -2.21 0.00 0.00 174.62 173.70 1ppq s ALA 1011N 1.61 3.18 0.35 11.08 0.00 -1.26 -4.12 121.76 132.61 1ppq s ALA 1011Ca 0.02 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1ppq s ALA 1011Cb -0.18 -3.89 0.01 0.00 0.00 0.00 0.00 23.12 19.06 1ppq s ALA 1011CO -0.14 -2.10 0.52 -3.38 0.00 0.00 0.00 175.76 170.66 1ppq s HIS 1012N 5.56 0.97 0.00 0.00 -3.43 -0.64 -2.65 115.29 115.11 1ppq s HIS 1012Ca 0.73 -1.25 -0.11 0.00 -0.80 0.00 0.00 55.06 53.63 1ppq s HIS 1012Cb -0.24 0.03 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 1ppq s HIS 1012CO 0.30 -1.20 0.34 -1.58 -2.00 0.00 0.00 174.74 170.61 1ppq s TRP 1013N -2.92 3.65 -1.59 0.38 0.52 -1.26 -0.81 118.94 116.91 1ppq s TRP 1013Ca 0.29 0.81 0.13 0.00 0.02 0.00 0.00 56.10 57.35 1ppq s TRP 1013Cb -0.01 -2.16 0.68 0.00 -1.15 0.00 0.00 33.47 30.83 1ppq s TRP 1013CO 0.20 0.63 1.29 0.45 0.02 0.00 0.00 176.95 179.53 1ppq n SER 1014N 1.53 0.00 -3.99 2.95 2.88 -0.54 -4.49 113.62 111.96 1ppq n SER 1014Ca -0.13 -0.04 -0.27 0.00 -1.33 0.00 0.00 58.87 57.09 1ppq n SER 1014Cb 0.53 -0.21 -0.17 0.00 -0.75 0.00 0.00 64.21 63.62 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ppq s THR 1015N -2.41 1.28 0.75 2.46 -4.23 -1.26 -4.95 115.64 107.28 1ppq s THR 1015Ca 0.14 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.01 1ppq s THR 1015Cb 0.09 -1.22 0.05 0.00 1.34 0.00 0.00 72.50 72.76 1ppq s THR 1015CO 0.18 0.40 1.17 2.29 -0.54 0.00 0.00 174.62 178.13 1ppq n LYS 1016N 4.49 0.47 -1.44 3.99 0.00 -1.26 -4.80 118.16 119.61 1ppq n LYS 1016Ca -0.17 0.23 -0.49 0.00 -0.00 0.00 0.00 58.31 57.87 1ppq n LYS 1016Cb 0.51 -2.42 -0.08 0.00 -0.00 0.00 0.00 35.03 33.04 1ppq n LYS 1016CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ppq n PRO 1017N -2.66 0.86 -1.59 -1.58 -0.02 -1.26 -4.85 135.00 123.90 1ppq n PRO 1017Ca 0.14 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 1ppq n PRO 1017Cb 0.50 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 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 6.67 1.73 0.26 0.52 0.04 -1.26 -5.06 135.00 137.91 1ppq s PRO 1018Ca 1.12 0.45 0.08 0.00 0.04 0.00 0.00 61.00 62.69 1ppq s PRO 1018Cb -0.90 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1ppq s PRO 1018CO 0.48 -1.82 -0.11 0.42 0.04 0.00 0.00 177.00 176.01 1ppq s ILE 1019N -3.25 1.84 -0.23 0.56 -1.09 -1.22 -4.75 121.20 113.08 1ppq s ILE 1019Ca 0.62 -2.20 -0.05 0.00 -2.23 0.00 0.00 60.65 56.79 1ppq s ILE 1019Cb -0.14 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 1ppq s ILE 1019CO 0.53 -0.40 -0.00 0.00 -1.23 0.00 0.00 174.94 173.84 1ppq s GLN 1021N 1.47 2.68 0.22 0.00 2.00 -0.69 -4.91 119.66 120.44 1ppq s GLN 1021Ca 0.05 -1.15 -0.32 0.00 -2.00 0.00 0.00 55.36 51.94 1ppq s GLN 1021Cb -0.15 -3.54 -0.13 0.00 0.80 0.00 0.00 33.01 30.00 1ppq s GLN 1021CO -0.01 -0.68 1.57 -2.13 -0.50 0.00 0.00 175.29 173.55 1ppq n ARG 1022N 4.86 2.41 -2.66 1.67 0.63 -1.26 -0.44 116.66 121.87 1ppq n ARG 1022Ca -0.12 0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 57.25 1ppq n ARG 1022Cb 0.45 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.71 1ppq n ARG 1022CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ppq s ILE 1023N 0.50 4.74 -1.64 5.15 1.01 -1.26 -4.86 121.20 124.83 1ppq s ILE 1023Ca 0.72 1.98 0.00 0.00 0.00 0.00 0.00 60.65 63.35 1ppq s ILE 1023Cb -0.59 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 37.61 1ppq s ILE 1023CO 0.42 0.07 0.41 -2.65 0.00 0.00 0.00 174.94 173.19