#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4s s TYR 956 N 0.00 2.87 0.07 1.12 2.02 -1.26 -5.13 117.35 117.04 1w4s s TYR 956 Ca 0.00 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1w4s s TYR 956 Cb 0.00 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1w4s s TYR 956 CO 0.00 0.38 -0.08 -1.01 -1.57 0.00 0.00 175.55 173.28 1w4s s HIS 957 N -1.05 0.79 0.23 2.71 3.76 -1.26 -5.09 115.29 115.38 1w4s s HIS 957 Ca 0.18 -0.66 -0.31 0.00 -0.15 0.00 0.00 55.06 54.12 1w4s s HIS 957 Cb -0.11 -0.46 -0.14 0.00 1.11 0.00 0.00 32.58 32.98 1w4s s HIS 957 CO 0.09 -0.10 1.37 0.28 -0.85 0.00 0.00 174.74 175.54 1w4s n VAL 958 N 0.85 0.94 0.00 -0.90 0.31 -1.26 -1.18 118.33 117.10 1w4s n VAL 958 Ca -0.18 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1w4s n VAL 958 Cb 0.57 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1w4s n VAL 958 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1w4s n GLY 959 N 2.14 2.59 3.76 2.92 0.00 0.87 -4.40 105.19 113.06 1w4s n GLY 959 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1w4s n GLY 959 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w4s s ASP 960 N -1.42 5.56 -0.08 1.61 1.01 -0.32 -4.46 116.67 118.57 1w4s s ASP 960 Ca 0.00 2.37 -0.03 0.00 0.71 0.00 0.00 52.55 55.60 1w4s s ASP 960 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1w4s s ASP 960 CO 0.00 -1.34 0.05 -0.31 0.21 0.00 0.00 175.17 173.77 1w4s s TYR 961 N -1.59 3.28 0.07 4.23 2.02 -1.25 -0.63 117.35 123.48 1w4s s TYR 961 Ca 0.72 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1w4s s TYR 961 Cb -0.30 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1w4s s TYR 961 CO 0.34 0.55 -0.10 0.14 -1.57 0.00 0.00 175.55 174.91 1w4s s VAL 962 N -0.97 0.77 -0.10 0.71 -7.23 0.23 -1.18 120.40 112.62 1w4s s VAL 962 Ca 0.15 -1.34 -0.24 0.00 -1.81 0.00 0.00 61.98 58.75 1w4s s VAL 962 Cb -0.12 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1w4s s VAL 962 CO 0.05 -0.44 0.73 -0.31 -0.31 0.00 0.00 175.10 174.82 1w4s s TYR 963 N -1.81 3.52 -0.09 2.82 2.02 0.07 -0.95 117.35 122.93 1w4s s TYR 963 Ca -0.03 1.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.93 1w4s s TYR 963 Cb -0.07 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.62 1w4s s TYR 963 CO 0.00 -0.01 -0.18 0.08 -1.57 0.00 0.00 175.55 173.87 1w4s s VAL 964 N 1.21 2.67 0.18 0.71 1.01 0.23 -0.28 120.40 126.13 1w4s s VAL 964 Ca 0.37 -0.83 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 1w4s s VAL 964 Cb -0.17 -2.06 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 1w4s s VAL 964 CO 0.16 0.56 1.50 -0.62 0.00 0.00 0.00 175.10 176.70 1w4s n GLU 965 N 3.10 2.04 -1.82 2.72 1.02 -0.23 -1.07 120.64 126.39 1w4s n GLU 965 Ca -0.18 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.39 1w4s n GLU 965 Cb 0.52 -2.46 0.05 0.00 -0.02 0.00 0.00 31.44 29.54 1w4s n GLU 965 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1w4s s PRO 966 N 0.44 2.84 0.31 3.49 0.04 -1.26 -4.81 135.00 136.05 1w4s s PRO 966 Ca 0.76 0.54 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1w4s s PRO 966 Cb -0.69 -2.01 0.50 0.00 0.04 0.00 0.00 34.50 32.34 1w4s s PRO 966 CO 0.42 -1.07 1.79 0.00 0.04 0.00 0.00 177.00 178.18 1w4s h ALA 967 N -0.68 1.22 -2.80 8.56 0.00 -1.96 -3.38 119.26 120.22 1w4s h ALA 967 Ca -0.45 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.52 1w4s h ALA 967 Cb 1.25 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 1w4s h ALA 967 CO 0.63 0.50 -0.50 -1.21 0.00 0.00 0.00 179.25 178.67 1w4s s GLU 968 N -4.70 3.70 0.37 0.00 2.02 -1.26 -5.05 118.70 113.77 1w4s s GLU 968 Ca -0.07 -0.50 -0.27 0.00 0.02 0.00 0.00 54.97 54.15 1w4s s GLU 968 Cb 0.14 -3.74 -0.12 0.00 0.10 0.00 0.00 34.13 30.52 1w4s s GLU 968 CO 0.78 -0.32 1.23 0.00 0.02 0.00 0.00 175.26 176.97 1w4s n ALA 969 N 5.08 1.05 -0.21 5.21 0.00 -1.26 -2.39 120.51 127.99 1w4s n ALA 969 Ca -0.13 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1w4s n ALA 969 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1w4s n ALA 969 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1w4s n ASN 970 N 0.62 0.00 -4.74 0.00 4.13 -1.26 -5.02 115.26 108.99 1w4s n ASN 970 Ca 0.06 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.02 1w4s n ASN 970 Cb 0.37 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.72 1w4s n ASN 970 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1w4s s LEU 971 N 0.00 2.75 0.34 3.41 1.43 -1.01 -4.98 118.68 120.62 1w4s s LEU 971 Ca 0.00 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.55 1w4s s LEU 971 Cb 0.00 -4.32 -0.11 0.00 0.03 0.00 0.00 46.19 41.79 1w4s s LEU 971 CO 0.00 -2.32 1.49 -1.10 0.23 0.00 0.00 176.35 174.65 1w4s s GLN 972 N -4.89 4.16 0.67 1.70 -0.21 -1.26 -4.76 119.66 115.07 1w4s s GLN 972 Ca 0.62 2.50 -0.17 0.00 0.02 0.00 0.00 55.36 58.33 1w4s s GLN 972 Cb -0.18 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.83 1w4s s GLN 972 CO 0.57 -0.51 1.27 -2.14 -2.12 0.00 0.00 175.29 172.36 1w4s s PRO 973 N -1.45 2.42 0.30 2.91 0.02 -1.26 -4.68 135.00 133.26 1w4s s PRO 973 Ca 0.56 1.97 -0.27 0.00 0.02 0.00 0.00 61.00 63.28 1w4s s PRO 973 Cb -0.46 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1w4s s PRO 973 CO 0.56 -1.67 0.94 -1.01 -0.33 0.00 0.00 177.00 175.48 1w4s s HIS 974 N -1.57 3.76 -0.26 6.54 3.76 -0.24 -4.80 115.29 122.48 1w4s s HIS 974 Ca 0.80 1.80 -0.12 0.00 -0.15 0.00 0.00 55.06 57.39 1w4s s HIS 974 Cb -0.35 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.37 1w4s s HIS 974 CO 0.41 0.27 0.25 0.42 -0.85 0.00 0.00 174.74 175.25 1w4s s ILE 975 N -1.52 5.28 -0.04 0.60 1.01 -1.26 -0.60 121.20 124.67 1w4s s ILE 975 Ca 0.48 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.51 1w4s s ILE 975 Cb -0.20 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1w4s s ILE 975 CO 0.25 0.25 -0.16 -0.69 0.00 0.00 0.00 174.94 174.60 1w4s s VAL 976 N 1.59 1.34 -0.13 2.92 1.01 -0.13 -0.43 120.40 126.57 1w4s s VAL 976 Ca 0.11 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1w4s s VAL 976 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1w4s s VAL 976 CO 0.09 0.39 0.47 0.00 0.00 0.00 0.00 175.10 176.04 1w4s s ILE 978 N 0.77 4.36 -0.10 0.00 1.01 0.19 -2.12 121.20 125.31 1w4s s ILE 978 Ca 0.25 1.63 0.15 0.00 0.00 0.00 0.00 60.65 62.69 1w4s s ILE 978 Cb -0.15 -4.08 -0.23 0.00 0.01 0.00 0.00 42.46 38.01 1w4s s ILE 978 CO 0.10 -0.18 0.19 -0.62 0.00 0.00 0.00 174.94 174.43 1w4s n GLU 979 N 6.60 1.03 -3.74 2.79 1.02 0.61 -0.09 120.64 128.87 1w4s n GLU 979 Ca 0.14 -0.07 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1w4s n GLU 979 Cb 0.45 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1w4s n GLU 979 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1w4s s ARG 980 N -2.72 0.69 0.02 3.49 0.52 -0.80 -4.88 118.95 115.26 1w4s s ARG 980 Ca -0.07 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1w4s s ARG 980 Cb 0.07 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1w4s s ARG 980 CO 0.68 -0.19 -0.09 -0.51 0.02 0.00 0.00 175.30 175.20 1w4s s LEU 981 N -1.26 2.10 0.34 2.53 1.43 -1.26 -1.41 118.68 121.15 1w4s s LEU 981 Ca -0.13 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 1w4s s LEU 981 Cb -0.05 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.82 1w4s s LEU 981 CO 0.05 0.02 0.76 -1.66 0.23 0.00 0.00 176.35 175.74 1w4s s TRP 982 N -0.60 -0.01 0.15 0.29 -2.14 -0.63 -5.01 118.94 110.99 1w4s s TRP 982 Ca -0.00 -0.56 0.07 0.00 2.66 0.00 0.00 56.10 58.27 1w4s s TRP 982 Cb -0.06 0.78 -0.04 0.00 -3.10 0.00 0.00 33.47 31.05 1w4s s TRP 982 CO 0.00 -1.42 -0.16 -1.83 -2.66 0.00 0.00 176.95 170.88 1w4s s GLU 983 N -3.04 1.18 0.71 3.25 -1.05 -1.26 -0.26 118.70 118.24 1w4s s GLU 983 Ca 0.14 -1.36 -0.00 0.00 -0.15 0.00 0.00 54.97 53.59 1w4s s GLU 983 Cb -0.05 -1.14 0.12 0.00 -0.44 0.00 0.00 34.13 32.62 1w4s s GLU 983 CO 0.09 0.22 0.98 0.16 0.95 0.00 0.00 175.26 177.67 1w4s s ASP 984 N -2.66 4.40 0.51 0.83 1.47 -0.24 -4.92 116.67 116.06 1w4s s ASP 984 Ca 0.14 -0.38 0.34 0.00 1.18 0.00 0.00 52.55 53.83 1w4s s ASP 984 Cb -0.05 -0.02 1.77 0.00 -0.34 0.00 0.00 42.92 44.29 1w4s s ASP 984 CO 0.05 -1.82 2.05 0.77 0.68 0.00 0.00 175.17 176.90 1w4s h SER 985 N -0.48 0.00 0.41 2.11 4.64 -2.02 0.50 113.55 118.71 1w4s h SER 985 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1w4s h SER 985 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1w4s h SER 985 CO 0.40 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 176.24 1w4s n ALA 986 N -1.96 2.77 -0.71 5.18 0.00 -1.26 -4.91 120.51 119.61 1w4s n ALA 986 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1w4s n ALA 986 Cb 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1w4s n ALA 986 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4s n GLY 987 N 1.30 0.80 3.72 0.00 0.00 0.17 -5.03 105.19 106.15 1w4s n GLY 987 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1w4s n GLY 987 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w4s s GLU 988 N -0.29 4.44 -0.01 1.61 2.12 -1.26 -4.77 118.70 120.55 1w4s s GLU 988 Ca 0.00 1.78 -0.19 0.00 0.36 0.00 0.00 54.97 56.92 1w4s s GLU 988 Cb 0.00 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1w4s s GLU 988 CO 0.00 -0.22 0.55 0.15 -0.54 0.00 0.00 175.26 175.20 1w4s s LYS 989 N 0.85 4.26 0.11 4.30 1.02 -1.26 -1.08 119.74 127.94 1w4s s LYS 989 Ca 0.58 0.65 0.07 0.00 0.02 0.00 0.00 55.97 57.29 1w4s s LYS 989 Cb -0.30 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1w4s s LYS 989 CO 0.30 0.40 -0.17 -1.58 -0.92 0.00 0.00 175.35 173.38 1w4s s TRP 990 N -0.25 1.58 0.20 3.18 0.52 0.65 -0.92 118.94 123.90 1w4s s TRP 990 Ca 0.29 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 56.03 1w4s s TRP 990 Cb -0.18 -0.85 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1w4s s TRP 990 CO 0.16 0.18 -0.16 -0.48 0.02 0.00 0.00 176.95 176.67 1w4s s LEU 991 N -2.13 2.52 -0.02 2.99 0.05 -0.26 -1.60 118.68 120.24 1w4s s LEU 991 Ca 0.07 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.31 1w4s s LEU 991 Cb -0.08 -0.78 -0.01 0.00 -2.05 0.00 0.00 46.19 43.27 1w4s s LEU 991 CO 0.04 -0.10 -0.13 -0.47 -0.55 0.00 0.00 176.35 175.14 1w4s s TYR 992 N -2.62 1.21 0.04 3.48 5.04 -0.50 -1.32 117.35 122.68 1w4s s TYR 992 Ca 0.21 -0.26 -0.11 0.00 -2.44 0.00 0.00 57.07 54.48 1w4s s TYR 992 Cb -0.03 -0.80 0.04 0.00 0.35 0.00 0.00 41.96 41.52 1w4s s TYR 992 CO 0.08 -0.05 0.50 0.41 -1.34 0.00 0.00 175.55 175.15 1w4s n GLY 993 N 2.88 0.75 3.73 8.97 0.00 -0.88 -0.28 105.19 120.35 1w4s n GLY 993 Ca -0.15 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1w4s n GLY 993 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4s s TRP 995 N 0.42 3.87 -0.23 0.00 0.23 -0.36 -1.03 118.94 121.85 1w4s s TRP 995 Ca 0.10 1.79 -0.06 0.00 -2.03 0.00 0.00 56.10 55.90 1w4s s TRP 995 Cb -0.12 -2.98 -0.03 0.00 0.03 0.00 0.00 33.47 30.38 1w4s s TRP 995 CO -0.00 0.33 0.04 -0.06 0.96 0.00 0.00 176.95 178.22 1w4s s PHE 996 N -0.51 3.07 0.05 -1.98 0.08 0.43 -2.24 117.98 116.87 1w4s s PHE 996 Ca 0.43 -0.45 -0.21 0.00 0.12 0.00 0.00 56.93 56.81 1w4s s PHE 996 Cb -0.24 -2.18 -0.06 0.00 -0.57 0.00 0.00 43.02 39.97 1w4s s PHE 996 CO 0.30 -0.32 0.63 0.71 -0.10 0.00 0.00 175.22 176.43 1w4s s TYR 997 N 1.39 3.76 0.68 0.36 1.51 -0.06 -4.05 117.35 120.93 1w4s s TYR 997 Ca 0.05 1.32 -0.12 0.00 -1.01 0.00 0.00 57.07 57.30 1w4s s TYR 997 Cb -0.15 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 1w4s s TYR 997 CO 0.02 0.45 1.06 1.03 -1.11 0.00 0.00 175.55 177.00 1w4s s ARG 998 N -0.62 2.96 0.27 -0.62 0.52 -1.26 -0.66 118.95 119.53 1w4s s ARG 998 Ca 0.32 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1w4s s ARG 998 Cb -0.20 -1.99 0.62 0.00 0.52 0.00 0.00 34.95 33.90 1w4s s ARG 998 CO 0.20 -1.09 1.70 -1.35 0.02 0.00 0.00 175.30 174.77 1w4s h PRO 999 N -0.44 0.36 0.00 3.54 0.11 -1.96 -0.03 132.00 133.57 1w4s h PRO 999 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1w4s h PRO 999 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1w4s h PRO 999 CO 0.56 0.23 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 1w4s n ASN 1000N -5.08 0.00 -0.40 -2.05 0.23 -1.26 -1.61 115.26 105.09 1w4s n ASN 1000Ca 0.19 -0.66 0.12 0.00 -0.53 0.00 0.00 54.58 53.71 1w4s n ASN 1000Cb 0.57 -0.03 0.27 0.00 -2.08 0.00 0.00 39.78 38.51 1w4s n ASN 1000CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1w4s n GLU 1001N -1.03 1.16 -4.17 -3.83 1.02 -0.03 -4.95 120.64 108.82 1w4s n GLU 1001Ca 0.17 -0.80 -0.23 0.00 -0.02 0.00 0.00 57.16 56.28 1w4s n GLU 1001Cb 0.09 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 1w4s n GLU 1001CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1w4s s THR 1002N -2.39 3.42 -0.18 2.62 -4.23 -0.63 -4.96 115.64 109.29 1w4s s THR 1002Ca 0.25 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1w4s s THR 1002Cb 0.19 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1w4s s THR 1002CO 0.49 -0.28 0.04 -0.36 -0.54 0.00 0.00 174.62 173.97 1w4s s PHE 1003N -2.34 3.17 0.11 3.99 0.08 -1.26 -5.02 117.98 116.71 1w4s s PHE 1003Ca 0.35 -0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.18 1w4s s PHE 1003Cb -0.05 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1w4s s PHE 1003CO 0.22 0.04 0.31 -3.38 -0.10 0.00 0.00 175.22 172.31 1w4s s HIS 1004N 0.52 -0.05 0.23 0.36 -3.43 -1.26 -4.82 115.29 106.84 1w4s s HIS 1004Ca 0.01 -0.31 -0.31 0.00 -0.80 0.00 0.00 55.06 53.65 1w4s s HIS 1004Cb -0.13 0.12 -0.14 0.00 -1.43 0.00 0.00 32.58 31.00 1w4s s HIS 1004CO 0.01 -0.64 1.19 1.28 -2.00 0.00 0.00 174.74 174.59 1w4s n LEU 1005N -0.16 2.13 0.29 5.38 4.77 -1.26 -4.84 117.00 123.31 1w4s n LEU 1005Ca -0.16 1.16 0.15 0.00 -0.03 0.00 0.00 56.01 57.13 1w4s n LEU 1005Cb 0.63 -1.31 0.90 0.00 -2.33 0.00 0.00 43.42 41.31 1w4s n LEU 1005CO 0.19 -1.07 1.10 0.00 -1.33 0.00 0.00 177.39 176.28 1w4s h ALA 1006N 3.14 1.44 -0.00 -1.18 0.00 -2.00 -1.38 119.26 119.28 1w4s h ALA 1006Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1w4s h ALA 1006Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1w4s h ALA 1006CO 0.68 0.03 -0.08 0.25 0.00 0.00 0.00 179.25 180.13 1w4s n THR 1007N -3.76 0.00 -1.94 0.00 -2.24 -1.26 -4.51 114.28 100.58 1w4s n THR 1007Ca -0.03 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1w4s n THR 1007Cb 0.11 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1w4s n THR 1007CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1w4s s ARG 1008N -2.70 4.22 -0.07 -0.78 3.52 -0.52 -4.84 118.95 117.78 1w4s s ARG 1008Ca 0.23 2.40 -0.03 0.00 -0.13 0.00 0.00 55.73 58.20 1w4s s ARG 1008Cb 0.20 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 1w4s s ARG 1008CO 0.51 -0.45 0.07 0.15 -0.81 0.00 0.00 175.30 174.76 1w4s s LYS 1009N -0.97 3.14 -0.01 5.12 1.02 -1.26 -4.20 119.74 122.57 1w4s s LYS 1009Ca 0.57 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.25 1w4s s LYS 1009Cb -0.44 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1w4s s LYS 1009CO 0.50 0.71 -0.14 -0.06 -0.92 0.00 0.00 175.35 175.44 1w4s s PHE 1010N -1.02 2.70 0.65 3.18 0.08 -0.39 -4.76 117.98 118.41 1w4s s PHE 1010Ca 0.17 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 1w4s s PHE 1010Cb -0.12 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1w4s s PHE 1010CO 0.06 0.25 1.20 -0.51 -0.10 0.00 0.00 175.22 176.12 1w4s s LEU 1011N -1.11 3.52 0.39 -0.37 1.43 -1.26 -0.74 118.68 120.53 1w4s s LEU 1011Ca 0.14 2.34 -0.27 0.00 -1.03 0.00 0.00 54.13 55.31 1w4s s LEU 1011Cb -0.11 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.42 1w4s s LEU 1011CO 0.04 -1.83 1.41 -0.70 0.23 0.00 0.00 176.35 175.49 1w4s s GLU 1012N -3.61 4.05 -0.36 1.70 2.12 -1.19 -1.52 118.70 119.89 1w4s s GLU 1012Ca 0.75 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.48 1w4s s GLU 1012Cb -0.29 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1w4s s GLU 1012CO 0.38 -0.51 0.00 1.63 -0.54 0.00 0.00 175.26 176.22 1w4s n LYS 1013N 0.34 -1.17 -2.13 4.30 4.76 -1.26 -4.77 118.16 118.23 1w4s n LYS 1013Ca 0.02 0.48 -0.40 0.00 -2.87 0.00 0.00 58.31 55.54 1w4s n LYS 1013Cb 0.41 -4.45 -0.02 0.00 -1.84 0.00 0.00 35.03 29.13 1w4s n LYS 1013CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1w4s s GLU 1014N -1.73 4.27 0.14 1.97 2.12 -0.58 -1.59 118.70 123.30 1w4s s GLU 1014Ca 0.00 2.16 0.01 0.00 0.36 0.00 0.00 54.97 57.50 1w4s s GLU 1014Cb 0.00 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1w4s s GLU 1014CO 0.00 -0.24 -0.00 0.14 -0.54 0.00 0.00 175.26 174.62 1w4s s VAL 1015N -1.19 0.53 -0.09 3.70 -7.23 -0.30 -4.27 120.40 111.55 1w4s s VAL 1015Ca 0.51 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 1w4s s VAL 1015Cb -0.38 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1w4s s VAL 1015CO 0.51 -0.59 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.12 1w4s s PHE 1016N -3.75 2.57 -0.17 2.82 0.08 0.16 -4.25 117.98 115.44 1w4s s PHE 1016Ca 0.20 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 56.07 1w4s s PHE 1016Cb 0.06 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 1w4s s PHE 1016CO 0.01 -0.32 1.42 0.21 -0.10 0.00 0.00 175.22 176.43 1w4s s LYS 1017N 0.18 4.09 0.55 0.44 2.20 -0.85 -0.88 119.74 125.47 1w4s s LYS 1017Ca -0.13 1.70 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1w4s s LYS 1017Cb -0.16 -3.88 0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1w4s s LYS 1017CO 0.07 -0.91 0.77 -1.54 -0.36 0.00 0.00 175.35 173.37 1w4s s SER 1018N 2.81 5.17 -0.25 1.43 1.04 -0.95 -0.66 113.70 122.29 1w4s s SER 1018Ca 0.62 -0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.86 1w4s s SER 1018Cb -0.24 -0.47 0.82 0.00 0.10 0.00 0.00 66.02 66.23 1w4s s SER 1018CO 0.22 -1.21 1.76 -0.90 0.98 0.00 0.00 173.24 174.09 1w4s n ASP 1019N -2.29 5.66 -4.52 7.02 5.68 -1.19 -4.73 116.55 122.18 1w4s n ASP 1019Ca 0.11 -2.97 -0.39 0.00 -0.50 0.00 0.00 54.79 51.03 1w4s n ASP 1019Cb 0.60 -0.70 -0.11 0.00 -1.14 0.00 0.00 41.12 39.77 1w4s n ASP 1019CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1w4s s TYR 1020N -2.80 3.20 -0.00 2.11 5.04 -1.26 -4.97 117.35 118.67 1w4s s TYR 1020Ca 0.55 -0.23 0.07 0.00 -2.44 0.00 0.00 57.07 55.02 1w4s s TYR 1020Cb 0.42 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 1w4s s TYR 1020CO 0.16 -0.33 -0.23 0.71 -1.34 0.00 0.00 175.55 174.51 1w4s s TYR 1021N 1.70 2.08 0.28 4.97 2.02 -1.26 -1.22 117.35 125.92 1w4s s TYR 1021Ca 0.06 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.21 1w4s s TYR 1021Cb -0.17 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1w4s s TYR 1021CO 0.09 0.00 0.61 1.21 -1.57 0.00 0.00 175.55 175.89 1w4s s ASN 1022N -0.72 -0.08 0.08 2.29 3.84 -0.94 -4.97 114.94 114.44 1w4s s ASN 1022Ca 0.09 -0.86 0.04 0.00 0.21 0.00 0.00 52.86 52.34 1w4s s ASN 1022Cb -0.09 0.68 -0.04 0.00 -0.55 0.00 0.00 41.25 41.25 1w4s s ASN 1022CO -0.00 -1.30 0.01 -1.59 -2.79 0.00 0.00 177.10 171.44 1w4s s LYS 1023N -3.72 2.63 0.03 0.43 -2.85 -1.26 -2.08 119.74 112.93 1w4s s LYS 1023Ca 0.18 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 54.25 1w4s s LYS 1023Cb -0.03 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1w4s s LYS 1023CO 0.09 0.55 0.24 0.14 0.10 0.00 0.00 175.35 176.47 1w4s s VAL 1024N -1.30 0.09 0.43 1.79 -7.23 -0.44 -4.99 120.40 108.76 1w4s s VAL 1024Ca 0.26 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.42 1w4s s VAL 1024Cb -0.12 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.90 1w4s s VAL 1024CO 0.18 -0.42 1.26 -2.84 -0.31 0.00 0.00 175.10 172.98 1w4s s PRO 1025N -2.30 3.82 0.62 4.82 0.02 -1.26 -1.10 135.00 139.63 1w4s s PRO 1025Ca -0.07 2.04 0.35 0.00 0.02 0.00 0.00 61.00 63.35 1w4s s PRO 1025Cb -0.02 -2.61 2.04 0.00 0.02 0.00 0.00 34.50 33.93 1w4s s PRO 1025CO -0.02 -0.58 2.29 0.28 -0.33 0.00 0.00 177.00 178.64 1w4s h VAL 1026N 2.18 0.32 0.00 3.83 2.07 -1.34 -1.04 116.25 122.28 1w4s h VAL 1026Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1w4s h VAL 1026Cb 1.25 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1w4s h VAL 1026CO 0.61 0.00 0.00 0.77 0.02 0.00 0.00 177.57 178.97 1w4s h SER 1027N 0.00 0.00 0.00 0.57 4.64 -1.90 -1.77 113.55 115.09 1w4s h SER 1027Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1w4s h SER 1027Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1w4s h SER 1027CO -0.00 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.24 1w4s n LYS 1028N -2.60 1.45 -2.58 4.77 5.02 -0.39 -4.86 118.16 118.96 1w4s n LYS 1028Ca -0.01 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 1w4s n LYS 1028Cb 0.13 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1w4s n LYS 1028CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1w4s s ILE 1029N -2.02 4.31 -0.08 -0.18 1.01 -0.67 -1.07 121.20 122.51 1w4s s ILE 1029Ca 0.40 1.78 0.22 0.00 0.00 0.00 0.00 60.65 63.06 1w4s s ILE 1029Cb 0.21 -4.14 -0.26 0.00 0.01 0.00 0.00 42.46 38.28 1w4s s ILE 1029CO 0.35 0.21 0.62 0.18 0.00 0.00 0.00 174.94 176.29 1w4s n LEU 1030N 3.31 0.21 0.00 2.97 4.77 0.61 -4.94 117.00 123.93 1w4s n LEU 1030Ca 0.05 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1w4s n LEU 1030Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1w4s n LEU 1030CO 0.53 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1w4s n GLY 1031N 1.24 0.94 3.94 -0.72 0.00 -1.25 -4.97 105.19 104.36 1w4s n GLY 1031Ca -0.03 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1w4s n GLY 1031CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w4s s LYS 1032N -2.00 3.49 0.17 1.61 1.02 -1.26 -0.75 119.74 122.02 1w4s s LYS 1032Ca 0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 1w4s s LYS 1032Cb 0.00 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1w4s s LYS 1032CO 0.00 0.10 0.26 0.00 -0.92 0.00 0.00 175.35 174.79 1w4s s VAL 1034N -2.61 -0.00 -0.20 0.00 1.01 -0.40 -3.78 120.40 114.43 1w4s s VAL 1034Ca 0.13 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1w4s s VAL 1034Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1w4s s VAL 1034CO 0.09 0.07 0.00 -0.69 0.00 0.00 0.00 175.10 174.57 1w4s s VAL 1035N 0.70 4.00 -0.04 2.92 1.01 -1.26 -0.85 120.40 126.88 1w4s s VAL 1035Ca -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1w4s s VAL 1035Cb -0.09 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1w4s s VAL 1035CO -0.02 0.43 0.06 -0.04 0.00 0.00 0.00 175.10 175.53 1w4s s MET 1036N 0.93 3.07 0.37 2.72 -1.94 -0.05 -4.96 119.30 119.45 1w4s s MET 1036Ca 0.01 -0.42 -0.27 0.00 -1.71 0.00 0.00 55.69 53.30 1w4s s MET 1036Cb -0.14 -2.87 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 1w4s s MET 1036CO 0.02 0.68 1.29 0.12 -0.01 0.00 0.00 175.02 177.12 1w4s s PHE 1037N -1.07 2.94 0.57 -0.03 5.36 -1.26 -0.43 117.98 124.05 1w4s s PHE 1037Ca 0.19 1.42 0.28 0.00 -0.96 0.00 0.00 56.93 57.86 1w4s s PHE 1037Cb -0.12 -3.65 1.50 0.00 -0.34 0.00 0.00 43.02 40.41 1w4s s PHE 1037CO 0.09 -1.93 1.97 -0.24 -1.46 0.00 0.00 175.22 173.65 1w4s h VAL 1038N 2.71 0.49 0.00 3.12 3.04 -1.64 -0.32 116.25 123.64 1w4s h VAL 1038Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1w4s h VAL 1038Cb 1.24 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1w4s h VAL 1038CO 0.64 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.31 1w4s h LYS 1039N 0.00 0.00 0.00 4.17 1.79 -1.90 -3.17 116.57 117.46 1w4s h LYS 1039Ca 0.20 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1w4s h LYS 1039Cb 0.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1w4s h LYS 1039CO -0.00 0.00 -1.41 0.39 -1.08 0.00 0.00 179.45 177.34 1w4s n GLU 1040N -2.37 1.94 -0.28 3.15 4.71 -0.23 -4.79 120.64 122.75 1w4s n GLU 1040Ca 0.04 -0.03 0.06 0.00 -0.01 0.00 0.00 57.16 57.22 1w4s n GLU 1040Cb 0.36 -1.17 0.28 0.00 -1.01 0.00 0.00 31.44 29.89 1w4s n GLU 1040CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 1w4s h TYR 1041N 0.00 0.97 0.00 -0.32 3.20 -1.25 -0.75 116.97 118.83 1w4s h TYR 1041Ca -0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 1w4s h TYR 1041Cb 1.02 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1w4s h TYR 1041CO 0.00 0.48 -0.29 0.74 -1.64 0.00 0.00 178.16 177.45 1w4s h PHE 1042N 0.93 0.00 0.00 -3.82 0.04 -1.87 -3.35 116.94 108.87 1w4s h PHE 1042Ca 0.39 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.11 1w4s h PHE 1042Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1w4s h PHE 1042CO -0.00 0.29 -1.93 1.63 -0.60 0.00 0.00 178.31 177.70 1w4s n LYS 1043N -3.25 0.66 -4.28 1.51 5.02 -0.90 -3.88 118.16 113.03 1w4s n LYS 1043Ca 0.02 -0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 55.99 1w4s n LYS 1043Cb 0.58 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1w4s n LYS 1043CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1w4s s LEU 1044N -4.49 2.50 0.04 -0.35 1.43 -0.34 -1.10 118.68 116.38 1w4s s LEU 1044Ca -0.07 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1w4s s LEU 1044Cb 0.11 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1w4s s LEU 1044CO 0.79 -0.21 -0.00 0.00 0.23 0.00 0.00 176.35 177.16 1w4s s PRO 1046N -2.82 4.28 0.37 0.00 0.04 -1.26 -1.11 135.00 134.50 1w4s s PRO 1046Ca -0.03 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 61.56 1w4s s PRO 1046Cb -0.00 -3.56 -0.11 0.00 0.04 0.00 0.00 34.50 30.87 1w4s s PRO 1046CO -0.06 -0.24 1.42 0.39 0.04 0.00 0.00 177.00 178.54 1w4s n GLU 1047N 4.98 2.46 -1.09 4.56 1.02 0.13 -3.25 120.64 129.46 1w4s n GLU 1047Ca 0.01 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 57.99 1w4s n GLU 1047Cb 0.49 -2.55 -0.01 0.00 -0.02 0.00 0.00 31.44 29.35 1w4s n GLU 1047CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1w4s n ASN 1048N 0.52 -3.53 -4.25 1.62 3.02 -1.26 -4.72 115.26 106.66 1w4s n ASN 1048Ca 0.03 0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1w4s n ASN 1048Cb 0.38 -1.32 -0.16 0.00 -0.61 0.00 0.00 39.78 38.07 1w4s n ASN 1048CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1w4s s PHE 1049N -2.07 2.28 0.41 3.10 0.08 -1.20 -5.13 117.98 115.45 1w4s s PHE 1049Ca 0.00 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.19 1w4s s PHE 1049Cb 0.00 -1.49 -0.09 0.00 -0.57 0.00 0.00 43.02 40.87 1w4s s PHE 1049CO 0.00 -0.18 1.04 1.03 -0.10 0.00 0.00 175.22 177.02 1w4s s ARG 1050N -0.21 4.11 0.44 0.44 0.52 -1.26 -4.92 118.95 118.07 1w4s s ARG 1050Ca -0.01 1.48 0.14 0.00 -0.52 0.00 0.00 55.73 56.81 1w4s s ARG 1050Cb -0.13 -2.46 1.04 0.00 0.52 0.00 0.00 34.95 33.93 1w4s s ARG 1050CO 0.03 -0.18 2.01 -0.44 0.02 0.00 0.00 175.30 176.73 1w4s h ASP 1051N 2.33 0.33 -0.01 0.23 3.32 -1.97 0.13 116.42 120.78 1w4s h ASP 1051Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1w4s h ASP 1051Cb 1.21 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1w4s h ASP 1051CO 0.62 0.21 0.10 1.05 -1.72 0.00 0.00 179.24 179.50 1w4s h GLU 1052N 0.38 0.00 -0.39 3.56 4.11 -2.03 -1.34 114.58 118.87 1w4s h GLU 1052Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1w4s h GLU 1052Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1w4s h GLU 1052CO -0.06 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.77 1w4s n ASP 1053N -3.07 3.96 -4.13 3.06 8.00 0.45 -4.90 116.55 119.92 1w4s n ASP 1053Ca -0.03 -2.62 -0.33 0.00 0.71 0.00 0.00 54.79 52.52 1w4s n ASP 1053Cb 0.17 -0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.63 1w4s n ASP 1053CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1w4s s VAL 1054N -2.13 2.17 0.33 2.53 1.01 -0.51 -1.27 120.40 122.53 1w4s s VAL 1054Ca 0.40 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1w4s s VAL 1054Cb 0.29 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1w4s s VAL 1054CO 0.14 0.46 0.09 -0.31 0.00 0.00 0.00 175.10 175.48 1w4s s TYR 1055N 1.28 2.67 -0.05 5.22 2.02 -0.03 -4.92 117.35 123.54 1w4s s TYR 1055Ca 0.03 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 1w4s s TYR 1055Cb -0.14 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1w4s s TYR 1055CO -0.11 0.42 -0.20 0.54 -1.57 0.00 0.00 175.55 174.62 1w4s s VAL 1056N -2.43 1.66 -0.11 0.71 0.11 -0.62 -0.87 120.40 118.84 1w4s s VAL 1056Ca 0.36 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1w4s s VAL 1056Cb -0.02 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1w4s s VAL 1056CO 0.21 0.47 -0.13 0.00 -3.33 0.00 0.00 175.10 172.33 1w4s n GLU 1058N 4.44 2.46 -4.20 0.00 2.13 -1.26 -1.51 120.64 122.70 1w4s n GLU 1058Ca -0.18 -0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.47 1w4s n GLU 1058Cb 0.51 -1.23 -0.11 0.00 0.27 0.00 0.00 31.44 30.87 1w4s n GLU 1058CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1w4s s SER 1059N -4.14 1.72 0.34 4.31 0.01 -1.26 -1.28 113.70 113.40 1w4s s SER 1059Ca -0.05 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 1w4s s SER 1059Cb 0.03 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.16 1w4s s SER 1059CO 0.37 -0.16 0.67 -0.13 0.41 0.00 0.00 173.24 174.40 1w4s s ARG 1060N -2.41 3.74 -0.05 12.44 0.52 0.76 -2.02 118.95 131.93 1w4s s ARG 1060Ca 0.04 0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 1w4s s ARG 1060Cb -0.06 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.91 1w4s s ARG 1060CO 0.02 0.10 -0.12 -0.47 0.02 0.00 0.00 175.30 174.84 1w4s s TYR 1061N -2.20 1.34 -0.24 -0.53 5.04 0.16 -1.39 117.35 119.54 1w4s s TYR 1061Ca 0.48 -0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 54.56 1w4s s TYR 1061Cb -0.10 -0.96 -0.05 0.00 0.35 0.00 0.00 41.96 41.20 1w4s s TYR 1061CO 0.29 -0.20 0.25 0.45 -1.34 0.00 0.00 175.55 175.00 1w4s s SER 1062N 0.41 6.19 0.00 4.32 0.15 -0.04 -3.19 113.70 121.55 1w4s s SER 1062Ca -0.09 0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.06 1w4s s SER 1062Cb -0.13 -2.15 1.36 0.00 -1.71 0.00 0.00 66.02 63.39 1w4s s SER 1062CO 0.02 -0.02 1.95 0.00 1.20 0.00 0.00 173.24 176.39 1w4s n ALA 1063N 4.62 2.61 0.06 5.45 0.00 -1.26 -0.13 120.51 131.86 1w4s n ALA 1063Ca -0.12 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1w4s n ALA 1063Cb 0.52 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1w4s n ALA 1063CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1w4s h LYS 1064N 0.19 0.33 -0.01 0.00 1.57 -1.95 -3.39 116.57 113.31 1w4s h LYS 1064Ca 0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1w4s h LYS 1064Cb 0.34 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1w4s h LYS 1064CO 0.00 1.27 -0.06 0.25 -0.57 0.00 0.00 179.45 180.34 1w4s n THR 1065N -4.03 0.00 -3.63 -0.16 -2.24 -1.22 -5.02 114.28 97.98 1w4s n THR 1065Ca -0.16 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 1w4s n THR 1065Cb 0.88 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 70.35 1w4s n THR 1065CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w4s n LYS 1066N 0.31 -5.71 -4.17 -0.78 5.02 0.82 -5.00 118.16 108.65 1w4s n LYS 1066Ca 0.05 0.70 -0.17 0.00 -2.02 0.00 0.00 58.31 56.88 1w4s n LYS 1066Cb 0.24 -5.47 -0.12 0.00 -0.02 0.00 0.00 35.03 29.66 1w4s n LYS 1066CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1w4s s SER 1067N -4.20 1.36 0.10 4.39 1.04 -1.16 -4.95 113.70 110.27 1w4s s SER 1067Ca 0.10 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 56.06 1w4s s SER 1067Cb -0.05 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1w4s s SER 1067CO 0.78 -0.09 -0.08 -0.36 0.98 0.00 0.00 173.24 174.48 1w4s s PHE 1068N -1.17 2.80 -0.11 5.02 0.08 -1.26 -0.86 117.98 122.48 1w4s s PHE 1068Ca -0.04 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 1w4s s PHE 1068Cb -0.09 -1.46 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1w4s s PHE 1068CO 0.01 0.44 0.28 0.21 -0.10 0.00 0.00 175.22 176.06 1w4s s LYS 1069N -2.23 0.29 0.29 0.44 2.20 -0.48 -4.98 119.74 115.27 1w4s s LYS 1069Ca 0.22 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 1w4s s LYS 1069Cb -0.11 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.17 1w4s s LYS 1069CO 0.15 -0.08 1.31 0.21 -0.36 0.00 0.00 175.35 176.58 1w4s s LYS 1070N 0.56 4.37 0.02 4.03 2.47 -1.26 -0.17 119.74 129.75 1w4s s LYS 1070Ca -0.03 2.16 -0.30 0.00 -1.56 0.00 0.00 55.97 56.24 1w4s s LYS 1070Cb -0.05 -3.11 -0.03 0.00 -1.46 0.00 0.00 37.83 33.18 1w4s s LYS 1070CO -0.03 -0.21 0.97 0.42 0.16 0.00 0.00 175.35 176.66 1w4s s ILE 1071N -0.71 4.81 -0.18 5.43 1.01 -0.41 -4.80 121.20 126.36 1w4s s ILE 1071Ca 0.52 2.04 -0.10 0.00 0.00 0.00 0.00 60.65 63.11 1w4s s ILE 1071Cb -0.39 -4.31 -0.21 0.00 0.01 0.00 0.00 42.46 37.56 1w4s s ILE 1071CO 0.47 0.19 0.15 0.29 0.00 0.00 0.00 174.94 176.05 1w4s n LYS 1072N 3.70 0.67 -4.28 2.79 4.01 -1.26 -4.92 118.16 118.87 1w4s n LYS 1072Ca 0.05 0.33 -0.28 0.00 -0.51 0.00 0.00 58.31 57.90 1w4s n LYS 1072Cb 0.51 -1.67 -0.17 0.00 -0.51 0.00 0.00 35.03 33.19 1w4s n LYS 1072CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1w4s s LEU 1073N -7.23 1.60 -0.25 -0.35 2.96 -1.26 -5.11 118.68 109.04 1w4s s LEU 1073Ca -0.28 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 1w4s s LEU 1073Cb 0.08 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1w4s s LEU 1073CO 0.67 -0.02 1.07 0.86 -1.32 0.00 0.00 176.35 177.61 1w4s s TRP 1074N 1.18 3.24 -0.28 5.38 -0.11 -1.26 -4.95 118.94 122.13 1w4s s TRP 1074Ca -0.03 1.35 0.11 0.00 1.22 0.00 0.00 56.10 58.75 1w4s s TRP 1074Cb -0.14 -3.41 0.47 0.00 -1.50 0.00 0.00 33.47 28.89 1w4s s TRP 1074CO -0.04 -0.67 1.17 0.25 -4.62 0.00 0.00 176.95 173.04 1w4s n THR 1075N 5.49 2.19 -2.64 5.86 -2.24 -1.26 -5.07 114.28 116.61 1w4s n THR 1075Ca 0.12 -3.87 -0.31 0.00 -2.27 0.00 0.00 64.05 57.73 1w4s n THR 1075Cb 0.46 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1w4s n THR 1075CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1w4s s MET 1076N -3.65 3.79 0.47 -0.78 -1.94 -1.26 -5.02 119.30 110.90 1w4s s MET 1076Ca 0.45 0.59 -0.24 0.00 -1.71 0.00 0.00 55.69 54.78 1w4s s MET 1076Cb 0.39 -2.30 -0.08 0.00 2.01 0.00 0.00 34.83 34.84 1w4s s MET 1076CO 0.02 -0.15 1.28 -2.30 -0.01 0.00 0.00 175.02 173.85 1w4s n PRO 1077N -1.56 1.82 -2.98 2.03 -0.02 -1.26 -4.94 135.00 128.09 1w4s n PRO 1077Ca 0.04 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1w4s n PRO 1077Cb 0.54 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1w4s n PRO 1077CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1w4s s VAL 1078N -1.24 4.92 0.12 -1.45 1.01 -1.26 -4.52 120.40 117.98 1w4s s VAL 1078Ca 0.64 1.43 0.01 0.00 0.00 0.00 0.00 61.98 64.06 1w4s s VAL 1078Cb -0.48 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 31.87 1w4s s VAL 1078CO 0.55 0.03 0.16 -1.54 0.00 0.00 0.00 175.10 174.30 1w4s n SER 1079N 5.41 0.32 -0.96 3.32 3.41 -1.26 -4.78 113.62 119.09 1w4s n SER 1079Ca 0.02 -1.25 0.09 0.00 -0.26 0.00 0.00 58.87 57.48 1w4s n SER 1079Cb 0.49 -0.09 0.25 0.00 -0.26 0.00 0.00 64.21 64.60 1w4s n SER 1079CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1w4s n SER 1080N -2.92 2.81 -4.77 4.04 7.64 -1.26 -4.94 113.62 114.21 1w4s n SER 1080Ca 0.03 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.54 1w4s n SER 1080Cb 0.11 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1w4s n SER 1080CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w4s s VAL 1081N -1.38 2.09 -0.18 0.44 1.01 -1.26 -4.99 120.40 116.14 1w4s s VAL 1081Ca 0.36 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1w4s s VAL 1081Cb 0.19 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1w4s s VAL 1081CO 0.26 0.02 -0.11 -0.13 0.00 0.00 0.00 175.10 175.14 1w4s s ARG 1082N -1.77 3.30 -0.08 2.72 0.52 -1.26 -5.02 118.95 117.35 1w4s s ARG 1082Ca 0.55 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 1w4s s ARG 1082Cb -0.46 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 1w4s s ARG 1082CO 0.60 -0.04 -0.22 -0.06 0.02 0.00 0.00 175.30 175.60 1w4s s PHE 1083N 0.99 2.56 0.15 -0.53 0.08 -1.26 -0.69 117.98 119.27 1w4s s PHE 1083Ca -0.01 -0.79 0.06 0.00 0.12 0.00 0.00 56.93 56.31 1w4s s PHE 1083Cb -0.15 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1w4s s PHE 1083CO -0.01 -0.26 -0.13 0.14 -0.10 0.00 0.00 175.22 174.86 1w4s s VAL 1084N 0.06 1.34 0.36 -0.44 -7.23 -0.27 -4.92 120.40 109.31 1w4s s VAL 1084Ca -0.09 -1.92 -0.28 0.00 -1.81 0.00 0.00 61.98 57.88 1w4s s VAL 1084Cb -0.15 -1.73 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1w4s s VAL 1084CO 0.06 -0.57 1.33 -2.84 -0.31 0.00 0.00 175.10 172.77 1w4s s PRO 1085N -3.22 4.18 0.17 4.82 0.02 -1.26 0.76 135.00 140.47 1w4s s PRO 1085Ca 0.14 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 1w4s s PRO 1085Cb -0.02 -2.94 -0.07 0.00 0.02 0.00 0.00 34.50 31.49 1w4s s PRO 1085CO 0.03 -0.35 1.00 1.03 -0.33 0.00 0.00 177.00 178.38 1w4s s ARG 1086N -2.00 4.71 0.25 5.54 0.52 -0.26 -4.75 118.95 122.96 1w4s s ARG 1086Ca 0.52 1.55 0.25 0.00 -0.52 0.00 0.00 55.73 57.54 1w4s s ARG 1086Cb -0.40 -3.31 0.71 0.00 0.52 0.00 0.00 34.95 32.47 1w4s s ARG 1086CO 0.53 0.26 1.73 -0.44 0.02 0.00 0.00 175.30 177.40 1w4s h ASP 1087N 4.98 0.00 -2.86 0.23 3.32 -1.94 -3.39 116.42 116.76 1w4s h ASP 1087Ca -0.44 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.03 1w4s h ASP 1087Cb 1.21 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.36 1w4s h ASP 1087CO 0.71 0.00 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.74 1w4s s VAL 1088N -3.12 0.41 0.28 -1.35 1.01 -1.26 -5.13 120.40 111.23 1w4s s VAL 1088Ca 0.10 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.19 1w4s s VAL 1088Cb 0.11 -1.31 -0.15 0.00 0.00 0.00 0.00 36.38 35.03 1w4s s VAL 1088CO 0.61 -0.88 0.71 -0.81 0.00 0.00 0.00 175.10 174.73 1w4s n PRO 1089N 4.31 0.63 -2.91 2.72 -0.04 -1.26 -4.93 135.00 133.52 1w4s n PRO 1089Ca 0.06 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 1w4s n PRO 1089Cb 0.38 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1w4s n PRO 1089CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w4s s LEU 1090N 1.82 4.43 0.34 1.53 1.43 -1.25 -5.04 118.68 121.94 1w4s s LEU 1090Ca 0.61 1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 1w4s s LEU 1090Cb -0.78 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.01 1w4s s LEU 1090CO 0.58 -0.05 1.55 -2.84 0.23 0.00 0.00 176.35 175.82 1w4s s PRO 1091N 0.19 4.10 -0.25 1.29 0.02 -1.26 -4.95 135.00 134.13 1w4s s PRO 1091Ca 0.41 2.60 -0.28 0.00 0.02 0.00 0.00 61.00 63.76 1w4s s PRO 1091Cb -0.21 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1w4s s PRO 1091CO 0.24 -0.60 0.99 0.08 -0.33 0.00 0.00 177.00 177.38 1w4s s VAL 1092N -0.62 4.68 -0.10 3.83 1.01 -1.26 -5.01 120.40 122.92 1w4s s VAL 1092Ca 0.58 1.84 -0.03 0.00 0.00 0.00 0.00 61.98 64.36 1w4s s VAL 1092Cb -0.48 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 31.67 1w4s s VAL 1092CO 0.57 -0.22 0.11 -0.69 0.00 0.00 0.00 175.10 174.86 1w4s s VAL 1093N 3.20 -0.16 -0.08 2.92 1.01 -1.26 -5.14 120.40 120.89 1w4s s VAL 1093Ca 0.42 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1w4s s VAL 1093Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1w4s s VAL 1093CO 0.08 -0.01 -0.16 -0.13 0.00 0.00 0.00 175.10 174.88 1w4s s ARG 1094N 2.20 2.20 0.01 2.72 0.52 -1.26 -3.18 118.95 122.17 1w4s s ARG 1094Ca 0.04 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1w4s s ARG 1094Cb -0.14 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 1w4s s ARG 1094CO -0.06 0.06 -0.05 0.14 0.02 0.00 0.00 175.30 175.41 1w4s s VAL 1095N 0.61 0.35 0.45 3.52 -7.23 0.08 -4.77 120.40 113.40 1w4s s VAL 1095Ca -0.15 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1w4s s VAL 1095Cb -0.16 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1w4s s VAL 1095CO 0.05 -0.10 0.72 0.00 -0.31 0.00 0.00 175.10 175.46 1w4s s ALA 1096N -0.57 3.48 0.74 1.32 0.00 -1.26 -1.26 121.76 124.20 1w4s s ALA 1096Ca -0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1w4s s ALA 1096Cb -0.05 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1w4s s ALA 1096CO -0.00 -0.26 1.23 -1.12 0.00 0.00 0.00 175.76 175.61 1w4s s SER 1097N -4.08 4.05 -0.21 0.00 0.01 -1.26 -4.97 113.70 107.24 1w4s s SER 1097Ca 0.45 2.43 -0.08 0.00 1.31 0.00 0.00 55.95 60.07 1w4s s SER 1097Cb -0.10 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1w4s s SER 1097CO 0.43 -2.36 0.08 -0.69 0.41 0.00 0.00 173.24 171.10 1w4s s VAL 1098N -1.89 4.72 -0.21 3.43 1.01 -1.26 -5.01 120.40 121.18 1w4s s VAL 1098Ca 0.76 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1w4s s VAL 1098Cb -0.31 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1w4s s VAL 1098CO 0.46 0.41 -0.04 -0.36 0.00 0.00 0.00 175.10 175.57 1w4s s PHE 1099N 0.84 2.97 -1.96 5.22 0.40 -1.26 -5.27 117.98 118.92 1w4s s PHE 1099Ca 0.04 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1w4s s PHE 1099Cb -0.14 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1w4s s PHE 1099CO 0.02 -0.44 0.49 0.00 0.70 0.00 0.00 175.22 176.00