#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4u s SER 949 N 0.00 -0.47 0.24 1.61 1.04 -1.26 -5.08 113.70 109.79 3i4u s SER 949 Ca 0.00 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 3i4u s SER 949 Cb 0.00 0.82 0.45 0.00 0.10 0.00 0.00 66.02 67.38 3i4u s SER 949 CO 0.00 -0.27 1.66 -0.65 0.98 0.00 0.00 173.24 174.96 3i4u h PRO 950 N 4.82 0.19 -0.21 4.02 0.11 -2.05 -1.83 132.00 137.04 3i4u h PRO 950 Ca -0.28 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3i4u h PRO 950 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i4u h PRO 950 CO 0.26 0.12 0.01 0.52 -0.21 0.00 0.00 178.00 178.70 3i4u h MET 951 N 0.19 0.37 -0.22 1.05 2.86 -1.99 -2.15 114.93 115.05 3i4u h MET 951 Ca 0.41 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.97 3i4u h MET 951 Cb 0.72 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 3i4u h MET 951 CO -0.57 0.56 0.02 1.49 1.06 0.00 0.00 176.91 179.47 3i4u h GLU 952 N 0.14 0.10 0.00 1.72 4.81 -1.84 -0.64 114.58 118.87 3i4u h GLU 952 Ca 0.06 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 3i4u h GLU 952 Cb 0.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3i4u h GLU 952 CO 0.01 0.06 -0.57 1.79 -0.73 0.00 0.00 179.01 179.57 3i4u h THR 953 N 0.10 1.40 -0.19 0.32 1.35 -1.36 -1.80 112.91 112.73 3i4u h THR 953 Ca 0.10 -1.98 -0.05 0.00 -0.55 0.00 0.00 66.41 63.94 3i4u h THR 953 Cb 0.12 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3i4u h THR 953 CO -0.16 0.56 -0.08 0.25 -0.25 0.00 0.00 175.52 175.85 3i4u h LEU 954 N 0.00 0.40 -0.38 3.87 5.85 -1.11 -1.47 115.31 122.47 3i4u h LEU 954 Ca -0.01 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 3i4u h LEU 954 Cb 1.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3i4u h LEU 954 CO 0.07 0.71 0.23 0.40 -0.34 0.00 0.00 178.44 179.51 3i4u h ILE 955 N 0.10 1.13 -0.72 4.05 2.04 -1.00 -0.90 117.51 122.21 3i4u h ILE 955 Ca 0.05 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.66 3i4u h ILE 955 Cb 0.55 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3i4u h ILE 955 CO 0.02 0.13 0.44 0.74 0.00 0.00 0.00 178.15 179.48 3i4u h THR 956 N 0.50 1.05 -0.50 -0.27 2.02 -1.33 -1.30 112.91 113.09 3i4u h THR 956 Ca 0.14 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3i4u h THR 956 Cb 0.00 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 3i4u h THR 956 CO -0.03 0.15 -0.06 0.00 0.37 0.00 0.00 175.52 175.96 3i4u h ALA 957 N 1.33 0.96 -0.44 6.16 0.00 -0.93 -1.66 119.26 124.68 3i4u h ALA 957 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i4u h ALA 957 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3i4u h ALA 957 CO -0.14 0.62 0.21 0.52 0.00 0.00 0.00 179.25 180.46 3i4u h MET 958 N 0.80 0.64 -0.59 0.00 2.07 -0.82 -1.64 114.93 115.39 3i4u h MET 958 Ca 0.14 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 3i4u h MET 958 Cb 0.56 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 3i4u h MET 958 CO 0.03 0.55 0.39 0.93 1.07 0.00 0.00 176.91 179.88 3i4u h GLU 959 N 0.57 0.78 -0.25 1.72 5.08 -1.08 -1.84 114.58 119.56 3i4u h GLU 959 Ca 0.15 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3i4u h GLU 959 Cb 0.13 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3i4u h GLU 959 CO -0.02 0.52 0.00 0.37 -1.00 0.00 0.00 179.01 178.89 3i4u h GLN 960 N 0.80 0.07 -0.63 2.33 4.15 -1.13 -1.83 115.11 118.87 3i4u h GLN 960 Ca 0.22 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.71 3i4u h GLN 960 Cb -0.08 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.53 3i4u h GLN 960 CO -0.05 0.05 0.29 -0.07 -1.93 0.00 0.00 178.83 177.12 3i4u h LEU 961 N 0.08 0.37 -0.02 -2.39 3.38 -0.98 -0.61 115.31 115.13 3i4u h LEU 961 Ca 0.12 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3i4u h LEU 961 Cb 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3i4u h LEU 961 CO -0.20 0.22 -0.03 0.22 0.09 0.00 0.00 178.44 178.74 3i4u h TYR 962 N 0.52 -0.08 -0.05 1.13 3.20 -1.04 -0.53 116.97 120.12 3i4u h TYR 962 Ca 0.30 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3i4u h TYR 962 Cb 0.30 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3i4u h TYR 962 CO -0.13 -0.05 -0.12 1.79 -1.64 0.00 0.00 178.16 178.01 3i4u h THR 963 N -0.05 1.12 0.00 1.81 1.35 -0.83 -1.79 112.91 114.52 3i4u h THR 963 Ca 0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3i4u h THR 963 Cb 0.08 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3i4u h THR 963 CO -0.05 0.16 0.00 -0.07 -0.25 0.00 0.00 175.52 175.30 3i4u h LEU 964 N 0.07 0.00 0.00 3.87 3.38 -0.86 -3.47 115.31 118.30 3i4u h LEU 964 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i4u h LEU 964 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i4u h LEU 964 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3i4u n GLY 965 N 0.67 0.83 0.12 0.83 0.00 -0.67 -4.96 105.19 102.00 3i4u n GLY 965 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3i4u n GLY 965 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4u h ALA 966 N 0.00 0.65 -4.35 4.61 0.00 -1.31 -3.39 119.26 115.48 3i4u h ALA 966 Ca 0.00 -0.62 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 3i4u h ALA 966 Cb 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 17.40 3i4u h ALA 966 CO 0.00 0.86 -0.87 -0.51 0.00 0.00 0.00 179.25 178.73 3i4u s LEU 967 N -6.83 2.11 0.00 0.00 1.43 -1.18 -1.56 118.68 112.65 3i4u s LEU 967 Ca 0.01 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3i4u s LEU 967 Cb 0.10 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.22 3i4u s LEU 967 CO 0.77 0.25 0.38 -0.90 0.23 0.00 0.00 176.35 177.07 3i4u n ASP 968 N 2.15 0.25 0.28 2.29 5.68 -0.38 -4.58 116.55 122.24 3i4u n ASP 968 Ca -0.16 -1.27 0.12 0.00 -0.50 0.00 0.00 54.79 52.98 3i4u n ASP 968 Cb 0.52 -0.27 0.79 0.00 -1.14 0.00 0.00 41.12 41.02 3i4u n ASP 968 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3i4u h ASP 969 N -0.37 0.00 -0.56 -1.12 2.03 -1.98 -1.24 116.42 113.17 3i4u h ASP 969 Ca -0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 3i4u h ASP 969 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3i4u h ASP 969 CO 0.11 0.05 0.00 -0.62 -1.03 0.00 0.00 179.24 177.75 3i4u n GLU 970 N -3.94 2.33 -1.26 4.15 1.02 -1.26 -4.95 120.64 116.73 3i4u n GLU 970 Ca -0.03 -2.07 -0.09 0.00 -0.02 0.00 0.00 57.16 54.95 3i4u n GLU 970 Cb 0.14 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 3i4u n GLU 970 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4u n GLY 971 N 1.42 1.08 3.90 0.62 0.00 -0.47 -5.03 105.19 106.71 3i4u n GLY 971 Ca 0.19 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3i4u n GLY 971 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4u s LEU 972 N -2.06 4.21 0.16 0.99 1.43 -1.26 -4.81 118.68 117.33 3i4u s LEU 972 Ca 0.00 0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 3i4u s LEU 972 Cb 0.00 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 3i4u s LEU 972 CO 0.00 -0.02 1.49 -0.76 0.23 0.00 0.00 176.35 177.29 3i4u s LEU 973 N -2.90 4.37 0.80 1.79 1.43 -1.26 -1.25 118.68 121.67 3i4u s LEU 973 Ca 0.43 2.52 -0.08 0.00 -1.03 0.00 0.00 54.13 55.97 3i4u s LEU 973 Cb -0.12 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.64 3i4u s LEU 973 CO 0.25 -0.75 1.12 0.42 0.23 0.00 0.00 176.35 177.62 3i4u s THR 974 N 0.99 2.13 0.23 5.49 -4.23 -0.60 -4.83 115.64 114.82 3i4u s THR 974 Ca 0.67 -0.28 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 3i4u s THR 974 Cb -0.41 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 70.79 3i4u s THR 974 CO 0.32 0.00 1.86 -0.09 -0.54 0.00 0.00 174.62 176.17 3i4u h ARG 975 N -0.95 0.96 -0.09 3.99 2.43 -1.90 0.72 114.38 119.54 3i4u h ARG 975 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3i4u h ARG 975 Cb 1.27 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3i4u h ARG 975 CO 0.46 0.64 0.06 1.25 -1.51 0.00 0.00 179.97 180.86 3i4u h LEU 976 N 0.99 0.10 -0.65 3.80 5.85 -1.90 -1.74 115.31 121.76 3i4u h LEU 976 Ca 0.35 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3i4u h LEU 976 Cb 0.10 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3i4u h LEU 976 CO -0.15 0.08 0.38 1.23 -0.34 0.00 0.00 178.44 179.64 3i4u h GLY 977 N 0.12 0.94 1.01 3.75 0.00 -1.54 0.32 103.07 107.66 3i4u h GLY 977 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3i4u h GLY 977 CO -0.01 0.20 0.46 3.21 0.00 0.00 0.00 176.54 180.41 3i4u h ARG 978 N 0.73 1.11 -0.13 4.80 2.47 -0.74 -1.40 114.38 121.22 3i4u h ARG 978 Ca 0.27 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 3i4u h ARG 978 Cb 0.10 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 3i4u h ARG 978 CO -0.14 0.81 -0.07 0.00 0.56 0.00 0.00 179.97 181.12 3i4u h ARG 979 N 1.12 0.28 -0.96 0.04 3.08 -0.92 -3.07 114.38 113.94 3i4u h ARG 979 Ca 0.29 -0.13 0.16 0.00 0.07 0.00 0.00 59.98 60.37 3i4u h ARG 979 Cb 0.00 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 3i4u h ARG 979 CO -0.05 0.63 0.61 0.52 -1.07 0.00 0.00 179.97 180.61 3i4u h MET 980 N -0.08 0.73 0.00 0.04 2.86 -0.82 -2.20 114.93 115.46 3i4u h MET 980 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i4u h MET 980 Cb 0.55 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3i4u h MET 980 CO 0.02 0.48 0.00 0.00 1.06 0.00 0.00 176.91 178.47 3i4u h ALA 981 N 1.60 1.00 0.00 6.32 0.00 -1.15 -2.38 119.26 124.65 3i4u h ALA 981 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3i4u h ALA 981 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i4u h ALA 981 CO -0.27 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.37 3i4u n GLU 982 N -2.61 0.17 -4.15 0.00 -0.58 -0.83 -4.81 120.64 107.82 3i4u n GLU 982 Ca 0.00 0.16 -0.36 0.00 -0.42 0.00 0.00 57.16 56.54 3i4u n GLU 982 Cb 0.19 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 29.28 3i4u n GLU 982 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3i4u s PHE 983 N -3.08 3.36 -0.23 -0.32 0.08 -0.90 -5.01 117.98 111.88 3i4u s PHE 983 Ca 0.11 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.50 3i4u s PHE 983 Cb 0.14 -1.86 0.14 0.00 -0.57 0.00 0.00 43.02 40.88 3i4u s PHE 983 CO 0.56 0.59 2.07 -0.35 -0.10 0.00 0.00 175.22 177.99 3i4u n PRO 984 N 2.08 1.61 -4.25 0.24 -0.04 -1.26 -4.90 135.00 128.47 3i4u n PRO 984 Ca -0.19 -1.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.88 3i4u n PRO 984 Cb 0.54 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3i4u n PRO 984 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i4u s LEU 985 N -1.30 3.11 0.53 1.53 1.43 -1.26 -5.11 118.68 117.61 3i4u s LEU 985 Ca 0.24 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 52.27 3i4u s LEU 985 Cb 0.18 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 3i4u s LEU 985 CO -0.01 -0.22 1.24 -1.61 0.23 0.00 0.00 176.35 175.98 3i4u s GLU 986 N -3.75 3.31 0.34 1.70 0.41 -1.26 -4.69 118.70 114.75 3i4u s GLU 986 Ca 0.35 1.93 0.07 0.00 -0.41 0.00 0.00 54.97 56.91 3i4u s GLU 986 Cb -0.02 -2.20 0.76 0.00 -1.78 0.00 0.00 34.13 30.89 3i4u s GLU 986 CO 0.21 -0.96 1.85 -1.35 -0.49 0.00 0.00 175.26 174.51 3i4u h PRO 987 N 1.48 0.74 -0.71 0.39 0.11 -1.97 -0.38 132.00 131.66 3i4u h PRO 987 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3i4u h PRO 987 Cb 1.28 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3i4u h PRO 987 CO 0.58 0.49 0.27 0.52 -0.21 0.00 0.00 178.00 179.65 3i4u h MET 988 N 0.76 1.05 -0.58 1.05 2.86 -1.91 -0.13 114.93 118.02 3i4u h MET 988 Ca 0.48 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.85 3i4u h MET 988 Cb 0.71 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3i4u h MET 988 CO -0.24 0.86 0.05 -0.07 1.06 0.00 0.00 176.91 178.57 3i4u h LEU 989 N 1.03 0.97 -0.56 1.22 3.38 -1.42 -2.33 115.31 117.60 3i4u h LEU 989 Ca 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i4u h LEU 989 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3i4u h LEU 989 CO -0.02 1.01 0.35 0.00 0.09 0.00 0.00 178.44 179.88 3i4u h LYS 991 N 0.76 -0.29 0.00 0.00 1.63 -0.93 -1.79 116.57 115.95 3i4u h LYS 991 Ca 0.20 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 3i4u h LYS 991 Cb -0.05 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3i4u h LYS 991 CO -0.04 -0.19 -0.28 0.00 -3.45 0.00 0.00 179.45 175.48 3i4u h MET 992 N -0.30 0.00 -0.28 1.90 -0.00 -1.32 -0.98 114.93 113.94 3i4u h MET 992 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 3i4u h MET 992 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.87 3i4u h MET 992 CO -0.02 0.28 -0.06 1.25 -0.00 0.00 0.00 176.91 178.36 3i4u h LEU 993 N 0.00 0.54 -0.39 -0.10 5.85 -1.13 -2.00 115.31 118.08 3i4u h LEU 993 Ca -0.00 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 3i4u h LEU 993 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3i4u h LEU 993 CO 0.04 0.77 -0.08 0.40 -0.34 0.00 0.00 178.44 179.23 3i4u h ILE 994 N 0.30 1.27 -0.31 4.05 1.08 -0.99 -3.03 117.51 119.88 3i4u h ILE 994 Ca 0.07 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 3i4u h ILE 994 Cb 0.53 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3i4u h ILE 994 CO 0.03 0.39 0.07 0.24 -0.69 0.00 0.00 178.15 178.18 3i4u h MET 995 N 0.56 0.46 0.00 2.37 2.86 -1.22 -1.69 114.93 118.27 3i4u h MET 995 Ca 0.10 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3i4u h MET 995 Cb 0.59 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 3i4u h MET 995 CO 0.04 0.43 -0.07 0.66 1.06 0.00 0.00 176.91 179.02 3i4u h SER 996 N 0.45 0.00 -0.07 1.22 4.64 -1.23 0.28 113.55 118.84 3i4u h SER 996 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3i4u h SER 996 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i4u h SER 996 CO -0.00 0.07 0.03 0.58 -0.87 0.00 0.00 176.83 176.64 3i4u h VAL 997 N 0.00 1.11 -0.08 0.95 2.07 -1.31 0.15 116.25 119.15 3i4u h VAL 997 Ca -0.00 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3i4u h VAL 997 Cb 0.16 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3i4u h VAL 997 CO 0.01 0.10 -0.46 0.45 0.02 0.00 0.00 177.57 177.69 3i4u h HIS 998 N -0.01 0.23 -0.03 1.57 3.86 -1.17 -3.03 115.15 116.56 3i4u h HIS 998 Ca 0.02 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3i4u h HIS 998 Cb 0.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3i4u h HIS 998 CO -0.03 0.62 0.00 1.28 0.86 0.00 0.00 177.93 180.66 3i4u n LEU 999 N -3.99 1.61 -2.37 2.43 4.77 0.83 -4.96 117.00 115.32 3i4u n LEU 999 Ca -0.02 -0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 55.29 3i4u n LEU 999 Cb 0.51 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3i4u n LEU 999 CO 0.42 0.28 0.11 0.61 -1.33 0.00 0.00 177.39 177.48 3i4u n GLY 1000N 1.18 0.03 1.27 -0.72 0.00 -0.30 -4.89 105.19 101.77 3i4u n GLY 1000Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i4u n GLY 1000CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4u h SER 1002N 0.60 0.00 -0.14 0.00 4.64 -1.04 -0.90 113.55 116.72 3i4u h SER 1002Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3i4u h SER 1002Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3i4u h SER 1002CO -0.04 0.12 0.04 -0.08 -0.87 0.00 0.00 176.83 176.00 3i4u h GLU 1003N 0.00 0.22 -0.44 4.77 4.57 -1.26 -1.45 114.58 120.99 3i4u h GLU 1003Ca -0.00 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 3i4u h GLU 1003Cb 0.45 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3i4u h GLU 1003CO 0.01 0.36 -0.19 0.93 -1.18 0.00 0.00 179.01 178.95 3i4u h GLU 1004N 0.04 0.91 -0.44 1.92 3.07 -1.69 -3.23 114.58 115.16 3i4u h GLU 1004Ca 0.05 -0.39 -0.12 0.00 -0.50 0.00 0.00 59.36 58.40 3i4u h GLU 1004Cb 0.24 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3i4u h GLU 1004CO -0.00 1.04 -0.21 1.98 -1.40 0.00 0.00 179.01 180.42 3i4u h MET 1005N 0.74 0.88 -0.80 2.33 4.05 -1.12 -0.54 114.93 120.48 3i4u h MET 1005Ca 0.10 -0.36 0.09 0.00 -0.28 0.00 0.00 59.70 59.25 3i4u h MET 1005Cb 0.75 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.44 3i4u h MET 1005CO 0.06 1.01 0.45 -0.07 0.23 0.00 0.00 176.91 178.59 3i4u h LEU 1006N 0.77 0.63 -0.12 3.39 3.38 -1.33 0.18 115.31 122.21 3i4u h LEU 1006Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3i4u h LEU 1006Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3i4u h LEU 1006CO 0.06 0.36 -0.02 0.74 0.09 0.00 0.00 178.44 179.67 3i4u h THR 1007N 0.75 1.28 -0.30 0.22 2.02 -1.47 -2.35 112.91 113.05 3i4u h THR 1007Ca 0.39 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 3i4u h THR 1007Cb 0.37 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3i4u h THR 1007CO -0.25 0.26 0.18 0.40 0.37 0.00 0.00 175.52 176.49 3i4u h ILE 1008N -0.09 1.11 -1.00 3.11 2.04 -0.70 0.47 117.51 122.44 3i4u h ILE 1008Ca 0.03 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3i4u h ILE 1008Cb 0.42 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3i4u h ILE 1008CO 0.01 0.11 0.66 0.58 0.00 0.00 0.00 178.15 179.51 3i4u h VAL 1009N 0.39 1.23 -0.35 1.67 2.07 -0.69 -0.19 116.25 120.38 3i4u h VAL 1009Ca 0.11 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 3i4u h VAL 1009Cb 0.01 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 3i4u h VAL 1009CO -0.02 0.24 -0.24 0.28 0.02 0.00 0.00 177.57 177.85 3i4u h SER 1010N 1.33 0.82 -0.13 0.57 0.02 -0.96 -2.64 113.55 112.56 3i4u h SER 1010Ca 0.38 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3i4u h SER 1010Cb -0.10 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3i4u h SER 1010CO -0.10 1.08 -0.10 0.24 -1.14 0.00 0.00 176.83 176.82 3i4u h MET 1011N 0.57 0.45 0.00 3.45 2.07 -0.53 -1.96 114.93 118.98 3i4u h MET 1011Ca 0.07 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 3i4u h MET 1011Cb 0.81 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 3i4u h MET 1011CO 0.07 0.56 0.00 -0.07 1.07 0.00 0.00 176.91 178.53 3i4u h LEU 1012N 0.43 0.00 -0.71 1.22 3.38 -0.92 -3.17 115.31 115.53 3i4u h LEU 1012Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i4u h LEU 1012Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3i4u h LEU 1012CO 0.02 0.00 -0.12 -1.20 0.09 0.00 0.00 178.44 177.24 3i4u n SER 1013N -2.69 1.23 -4.71 -0.43 7.64 -0.74 -4.91 113.62 109.01 3i4u n SER 1013Ca 0.02 -1.19 -0.24 0.00 1.01 0.00 0.00 58.87 58.47 3i4u n SER 1013Cb 0.32 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 3i4u n SER 1013CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3i4u s VAL 1014N -2.24 2.54 0.00 0.44 -7.23 -1.20 -5.04 120.40 107.67 3i4u s VAL 1014Ca 0.32 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3i4u s VAL 1014Cb 0.20 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 34.19 3i4u s VAL 1014CO 0.42 -0.09 0.00 0.00 -0.31 0.00 0.00 175.10 175.13 3i4u n GLN 1015N -1.16 0.00 -3.15 4.82 1.13 -1.26 -4.88 117.38 112.88 3i4u n GLN 1015Ca -0.02 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.60 3i4u n GLN 1015Cb 0.63 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.93 3i4u n GLN 1015CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3i4u s ASN 1016N -1.00 6.21 -0.15 1.08 0.01 -1.26 -4.89 114.94 114.93 3i4u s ASN 1016Ca 0.00 -1.10 -0.23 0.00 -0.71 0.00 0.00 52.86 50.81 3i4u s ASN 1016Cb 0.00 -2.29 -0.24 0.00 0.41 0.00 0.00 41.25 39.13 3i4u s ASN 1016CO 0.00 -0.96 0.55 0.58 -1.51 0.00 0.00 177.10 175.77 3i4u h VAL 1017N 5.88 1.33 -2.99 1.60 2.07 -1.90 -3.42 116.25 118.81 3i4u h VAL 1017Ca -0.28 -2.32 -0.61 0.00 0.82 0.00 0.00 66.70 64.31 3i4u h VAL 1017Cb 1.09 2.86 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 3i4u h VAL 1017CO 1.01 0.54 -0.33 -0.36 0.02 0.00 0.00 177.57 178.44 3i4u s PHE 1018N -2.34 3.57 0.12 1.57 0.08 -1.26 0.06 117.98 119.78 3i4u s PHE 1018Ca -0.22 0.64 0.10 0.00 0.12 0.00 0.00 56.93 57.57 3i4u s PHE 1018Cb 0.02 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3i4u s PHE 1018CO 0.68 0.57 -0.25 1.52 -0.10 0.00 0.00 175.22 177.64 3i4u s TYR 1019N -1.36 2.17 -0.45 0.36 -0.85 -0.36 -4.87 117.35 111.99 3i4u s TYR 1019Ca 0.30 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.49 3i4u s TYR 1019Cb -0.13 -1.19 0.16 0.00 0.38 0.00 0.00 41.96 41.18 3i4u s TYR 1019CO 0.18 0.29 0.32 0.50 -1.52 0.00 0.00 175.55 175.32 3i4u s ARG 1020N -1.95 1.17 0.47 -3.49 3.52 -1.26 -4.81 118.95 112.60 3i4u s ARG 1020Ca 0.12 -2.15 -0.24 0.00 -0.13 0.00 0.00 55.73 53.33 3i4u s ARG 1020Cb -0.10 -1.90 -0.08 0.00 -1.56 0.00 0.00 34.95 31.31 3i4u s ARG 1020CO 0.05 -1.29 1.34 -2.30 -0.81 0.00 0.00 175.30 172.29 3i4u n PRO 1021N 3.06 1.96 -0.11 5.12 -0.02 -1.26 -4.89 135.00 138.85 3i4u n PRO 1021Ca 0.21 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.48 3i4u n PRO 1021Cb 0.41 -2.51 0.43 0.00 -0.02 0.00 0.00 33.50 31.81 3i4u n PRO 1021CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i4u h LYS 1022N 1.95 0.54 0.00 -0.52 3.64 -2.00 -2.21 116.57 117.97 3i4u h LYS 1022Ca -0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3i4u h LYS 1022Cb 1.29 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i4u h LYS 1022CO 0.59 0.36 -0.59 -0.25 -2.27 0.00 0.00 179.45 177.29 3i4u n ASP 1023N -4.48 0.56 -1.92 4.20 8.00 -1.26 -4.14 116.55 117.51 3i4u n ASP 1023Ca 0.09 -0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 3i4u n ASP 1023Cb 0.28 0.28 0.05 0.00 -0.02 0.00 0.00 41.12 41.72 3i4u n ASP 1023CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i4u n LYS 1024N -1.72 2.85 -0.04 -1.24 5.02 -0.86 -4.87 118.16 117.30 3i4u n LYS 1024Ca 0.04 -3.84 -0.13 0.00 -2.02 0.00 0.00 58.31 52.37 3i4u n LYS 1024Cb 0.37 -1.98 -0.07 0.00 -0.02 0.00 0.00 35.03 33.33 3i4u n LYS 1024CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3i4u h GLN 1025N 2.03 0.26 -0.76 1.97 4.20 -1.65 0.15 115.11 121.30 3i4u h GLN 1025Ca 0.20 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 3i4u h GLN 1025Cb 1.43 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 3i4u h GLN 1025CO 0.52 0.61 0.25 0.00 -0.67 0.00 0.00 178.83 179.54 3i4u h ALA 1026N 0.64 0.99 -0.20 3.87 0.00 -1.90 -0.39 119.26 122.26 3i4u h ALA 1026Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3i4u h ALA 1026Cb 0.54 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i4u h ALA 1026CO 0.02 0.67 -0.12 1.25 0.00 0.00 0.00 179.25 181.07 3i4u h LEU 1027N 1.12 0.46 -0.85 0.00 5.85 -1.92 -0.36 115.31 119.62 3i4u h LEU 1027Ca 0.25 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3i4u h LEU 1027Cb 0.30 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3i4u h LEU 1027CO -0.01 0.79 0.47 0.00 -0.34 0.00 0.00 178.44 179.35 3i4u h ALA 1028N 0.69 1.09 -0.38 1.25 0.00 -0.59 0.43 119.26 121.74 3i4u h ALA 1028Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3i4u h ALA 1028Cb 0.62 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i4u h ALA 1028CO 0.03 0.59 -0.20 -0.44 0.00 0.00 0.00 179.25 179.24 3i4u h ASP 1029N 1.18 0.74 -0.34 0.00 3.32 -1.05 -0.89 116.42 119.39 3i4u h ASP 1029Ca 0.30 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3i4u h ASP 1029Cb 0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3i4u h ASP 1029CO -0.05 0.93 0.08 -0.61 -1.72 0.00 0.00 179.24 177.88 3i4u h GLN 1030N 0.65 0.54 -0.42 3.56 4.15 -0.50 0.35 115.11 123.45 3i4u h GLN 1030Ca 0.10 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3i4u h GLN 1030Cb 0.69 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3i4u h GLN 1030CO 0.05 0.60 -0.13 0.87 -1.93 0.00 0.00 178.83 178.29 3i4u h LYS 1031N 0.39 0.76 -0.28 1.69 1.79 -0.83 -3.05 116.57 117.05 3i4u h LYS 1031Ca 0.11 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 3i4u h LYS 1031Cb 0.30 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3i4u h LYS 1031CO 0.00 0.86 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.99 3i4u h LYS 1032N 0.69 0.51 -0.02 3.15 3.64 -1.02 -3.13 116.57 120.38 3i4u h LYS 1032Ca 0.11 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i4u h LYS 1032Cb 0.61 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3i4u h LYS 1032CO 0.04 0.68 0.04 0.00 -2.27 0.00 0.00 179.45 177.94 3i4u h ALA 1033N 0.81 1.26 0.00 5.00 0.00 -0.83 0.64 119.26 126.13 3i4u h ALA 1033Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3i4u h ALA 1033Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3i4u h ALA 1033CO 0.02 -0.05 -0.26 -0.22 0.00 0.00 0.00 179.25 178.74 3i4u h LYS 1034N 0.00 0.00 0.00 0.00 3.64 -1.47 -2.49 116.57 116.24 3i4u h LYS 1034Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i4u h LYS 1034Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3i4u h LYS 1034CO -0.00 0.26 -0.55 0.74 -2.27 0.00 0.00 179.45 177.63 3i4u h PHE 1035N 0.00 0.00 -2.36 1.91 0.04 -1.01 -3.48 116.94 112.05 3i4u h PHE 1035Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 3i4u h PHE 1035Cb 0.55 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.74 3i4u h PHE 1035CO 0.00 0.00 0.99 0.72 -0.60 0.00 0.00 178.31 179.42 3i4u n HIS 1036N -2.24 2.48 -4.16 -0.55 8.25 -0.94 -4.61 115.22 113.44 3i4u n HIS 1036Ca 0.03 0.04 -0.33 0.00 -0.26 0.00 0.00 57.72 57.19 3i4u n HIS 1036Cb 0.45 -2.65 -0.08 0.00 1.12 0.00 0.00 29.99 28.84 3i4u n HIS 1036CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3i4u s GLN 1037N 2.16 3.02 0.56 -0.41 -1.52 -1.26 -5.01 119.66 117.19 3i4u s GLN 1037Ca 0.82 -0.48 0.29 0.00 -1.95 0.00 0.00 55.36 54.04 3i4u s GLN 1037Cb -0.59 -2.83 1.64 0.00 -0.22 0.00 0.00 33.01 31.02 3i4u s GLN 1037CO 0.39 0.66 2.16 1.79 -0.25 0.00 0.00 175.29 180.04 3i4u h THR 1038N 3.46 0.54 -0.00 -0.19 1.35 -1.94 -1.89 112.91 114.24 3i4u h THR 1038Ca -0.50 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3i4u h THR 1038Cb 1.19 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3i4u h THR 1038CO 0.60 0.06 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.11 3i4u n GLU 1039N -3.73 0.11 0.00 4.72 4.71 -1.26 -4.92 120.64 120.26 3i4u n GLU 1039Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 3i4u n GLU 1039Cb 0.16 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 3i4u n GLU 1039CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i4u n GLY 1040N 1.46 0.49 0.17 0.62 0.00 -0.71 -1.52 105.19 105.71 3i4u n GLY 1040Ca 0.08 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 3i4u n GLY 1040CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i4u h ASP 1041N 0.00 0.82 -0.46 1.61 3.32 -1.05 -2.54 116.42 118.12 3i4u h ASP 1041Ca 0.00 -0.75 -0.02 0.00 0.02 0.00 0.00 57.03 56.28 3i4u h ASP 1041Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3i4u h ASP 1041CO 0.00 1.56 0.21 0.45 -1.72 0.00 0.00 179.24 179.74 3i4u h HIS 1042N 0.26 0.67 0.00 4.55 3.86 -1.90 -0.49 115.15 122.10 3i4u h HIS 1042Ca -0.18 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 3i4u h HIS 1042Cb 1.89 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.15 3i4u h HIS 1042CO 0.11 0.55 -0.22 -0.07 0.86 0.00 0.00 177.93 179.16 3i4u h LEU 1043N 0.59 0.00 -0.36 2.43 3.38 -1.90 -2.18 115.31 117.28 3i4u h LEU 1043Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3i4u h LEU 1043Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i4u h LEU 1043CO -0.02 0.22 -0.46 0.74 0.09 0.00 0.00 178.44 179.01 3i4u h THR 1044N 0.00 1.27 -0.76 0.22 2.02 -1.00 -1.40 112.91 113.26 3i4u h THR 1044Ca -0.00 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.49 3i4u h THR 1044Cb 0.77 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 3i4u h THR 1044CO 0.03 0.54 0.27 -0.07 0.37 0.00 0.00 175.52 176.66 3i4u h LEU 1045N 0.72 1.08 -0.31 2.58 3.38 -0.79 -1.17 115.31 120.80 3i4u h LEU 1045Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i4u h LEU 1045Cb 1.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3i4u h LEU 1045CO 0.11 0.97 0.20 0.25 0.09 0.00 0.00 178.44 180.06 3i4u h LEU 1046N 1.12 0.36 -0.77 1.67 5.85 -1.36 -2.56 115.31 119.62 3i4u h LEU 1046Ca 0.25 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3i4u h LEU 1046Cb 0.26 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3i4u h LEU 1046CO -0.01 0.28 0.50 0.00 -0.34 0.00 0.00 178.44 178.87 3i4u h ALA 1047N 1.09 1.01 -0.02 1.25 0.00 -0.84 -1.23 119.26 120.52 3i4u h ALA 1047Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i4u h ALA 1047Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3i4u h ALA 1047CO -0.02 0.33 0.01 0.28 0.00 0.00 0.00 179.25 179.85 3i4u h VAL 1048N 0.98 1.02 -0.31 0.00 2.07 -1.14 -1.26 116.25 117.61 3i4u h VAL 1048Ca 0.30 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 3i4u h VAL 1048Cb -0.02 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3i4u h VAL 1048CO -0.10 0.01 0.10 0.22 0.02 0.00 0.00 177.57 177.83 3i4u h TYR 1049N 0.02 0.49 -0.73 1.57 3.20 -1.23 -1.79 116.97 118.49 3i4u h TYR 1049Ca 0.01 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3i4u h TYR 1049Cb 0.01 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 3i4u h TYR 1049CO -0.07 0.50 0.32 -0.91 -1.64 0.00 0.00 178.16 176.36 3i4u h ASN 1050N 0.34 0.97 -0.50 -2.11 2.35 -1.20 -1.39 115.58 114.04 3i4u h ASN 1050Ca 0.10 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 3i4u h ASN 1050Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3i4u h ASN 1050CO -0.00 0.84 0.03 0.28 -1.65 0.00 0.00 177.43 176.93 3i4u h SER 1051N 1.05 0.84 -0.27 5.81 0.02 -1.11 0.41 113.55 120.29 3i4u h SER 1051Ca 0.25 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3i4u h SER 1051Cb 0.15 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3i4u h SER 1051CO -0.03 0.92 0.04 -0.25 -1.14 0.00 0.00 176.83 176.37 3i4u h TRP 1052N 0.73 0.06 -0.10 3.45 7.01 -1.03 0.10 115.95 126.17 3i4u h TRP 1052Ca 0.15 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.17 3i4u h TRP 1052Cb 0.47 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3i4u h TRP 1052CO 0.04 0.00 0.02 -0.22 -2.79 0.00 0.00 178.44 175.48 3i4u h LYS 1053N 0.13 0.06 0.00 2.65 3.64 -1.12 -0.11 116.57 121.82 3i4u h LYS 1053Ca 0.13 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3i4u h LYS 1053Cb 0.14 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3i4u h LYS 1053CO -0.18 0.04 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.05 3i4u h ASN 1054N 0.06 0.00 -0.66 4.20 2.35 -0.55 -1.02 115.58 119.96 3i4u h ASN 1054Ca 0.04 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 3i4u h ASN 1054Cb 0.03 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.29 3i4u h ASN 1054CO -0.06 0.08 0.25 0.59 -1.65 0.00 0.00 177.43 176.64 3i4u n ASN 1055N -3.35 4.50 -1.94 5.81 3.02 0.33 -4.94 115.26 118.69 3i4u n ASN 1055Ca -0.01 -3.07 -0.15 0.00 -0.03 0.00 0.00 54.58 51.32 3i4u n ASN 1055Cb 0.25 -0.72 0.02 0.00 -0.61 0.00 0.00 39.78 38.71 3i4u n ASN 1055CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i4u n LYS 1056N -0.10 -2.66 -3.80 3.52 4.76 -0.39 -3.47 118.16 116.02 3i4u n LYS 1056Ca 0.37 0.63 -0.25 0.00 -2.87 0.00 0.00 58.31 56.18 3i4u n LYS 1056Cb 1.28 -4.87 0.03 0.00 -1.84 0.00 0.00 35.03 29.62 3i4u n LYS 1056CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3i4u n PHE 1057N -4.07 -2.07 -3.25 2.13 3.72 -0.08 -4.91 117.46 108.93 3i4u n PHE 1057Ca -0.10 0.86 -0.39 0.00 -0.05 0.00 0.00 57.45 57.77 3i4u n PHE 1057Cb 0.59 -4.20 -0.07 0.00 -0.94 0.00 0.00 39.48 34.86 3i4u n PHE 1057CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3i4u s SER 1058N -3.93 6.49 0.12 4.37 0.15 -1.23 -4.99 113.70 114.69 3i4u s SER 1058Ca 0.28 0.59 -0.20 0.00 0.70 0.00 0.00 55.95 57.32 3i4u s SER 1058Cb -0.14 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3i4u s SER 1058CO 0.82 -0.22 1.73 0.78 1.20 0.00 0.00 173.24 177.56 3i4u h ASN 1059N 7.71 -0.01 -0.98 5.45 2.35 -1.93 -1.66 115.58 126.51 3i4u h ASN 1059Ca -0.32 0.03 0.17 0.00 -0.55 0.00 0.00 56.30 55.63 3i4u h ASN 1059Cb 1.15 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.47 3i4u h ASN 1059CO 0.73 0.02 0.61 -0.65 -1.65 0.00 0.00 177.43 176.49 3i4u h PRO 1060N 0.09 0.74 -0.78 0.81 0.11 -1.99 -0.82 132.00 130.17 3i4u h PRO 1060Ca 0.08 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3i4u h PRO 1060Cb 0.07 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 3i4u h PRO 1060CO -0.11 0.49 0.33 2.35 -0.21 0.00 0.00 178.00 180.85 3i4u h TRP 1061N 0.77 1.17 -0.40 0.65 7.01 -1.80 -0.61 115.95 122.73 3i4u h TRP 1061Ca 0.53 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.44 3i4u h TRP 1061Cb 0.82 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 3i4u h TRP 1061CO -0.00 0.88 0.21 0.00 -2.79 0.00 0.00 178.44 176.74 3i4u h TYR 1063N 0.52 0.47 -0.62 0.00 3.20 -0.89 0.58 116.97 120.22 3i4u h TYR 1063Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3i4u h TYR 1063Cb 0.07 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3i4u h TYR 1063CO -0.02 0.24 0.35 1.49 -1.64 0.00 0.00 178.16 178.57 3i4u h GLU 1064N 0.50 0.84 -0.57 1.82 4.57 -0.89 -2.98 114.58 117.87 3i4u h GLU 1064Ca 0.21 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3i4u h GLU 1064Cb 0.10 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3i4u h GLU 1064CO -0.13 0.61 0.00 0.09 -1.18 0.00 0.00 179.01 178.40 3i4u n ASN 1065N -4.39 3.74 -3.49 1.04 3.02 -0.78 -4.96 115.26 109.43 3i4u n ASN 1065Ca 0.06 -2.00 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 3i4u n ASN 1065Cb 0.09 -0.37 0.08 0.00 -0.61 0.00 0.00 39.78 38.97 3i4u n ASN 1065CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3i4u n PHE 1066N 1.59 -2.69 -4.82 3.10 3.72 -0.57 -4.60 117.46 113.19 3i4u n PHE 1066Ca 0.22 0.98 -0.33 0.00 -0.05 0.00 0.00 57.45 58.27 3i4u n PHE 1066Cb 0.62 -4.96 -0.13 0.00 -0.94 0.00 0.00 39.48 34.07 3i4u n PHE 1066CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i4u s ILE 1067N -3.32 3.19 -0.53 4.37 1.01 0.09 -1.22 121.20 124.80 3i4u s ILE 1067Ca 0.46 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 3i4u s ILE 1067Cb -0.20 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.01 3i4u s ILE 1067CO 0.71 0.58 1.30 -1.10 0.00 0.00 0.00 174.94 176.44 3i4u s GLN 1068N -0.53 3.48 0.30 2.79 -1.52 0.11 -4.24 119.66 120.05 3i4u s GLN 1068Ca 0.07 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 53.98 3i4u s GLN 1068Cb -0.12 -4.04 0.49 0.00 -0.22 0.00 0.00 33.01 29.12 3i4u s GLN 1068CO 0.02 -1.71 1.94 0.00 -0.25 0.00 0.00 175.29 175.29 3i4u h ALA 1069N 10.26 1.47 -0.37 6.09 0.00 -1.91 -2.50 119.26 132.30 3i4u h ALA 1069Ca -0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3i4u h ALA 1069Cb 1.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3i4u h ALA 1069CO 1.16 0.44 0.12 0.00 0.00 0.00 0.00 179.25 180.97 3i4u h ARG 1070N 1.07 0.53 -0.13 0.00 3.08 -1.96 -1.28 114.38 115.69 3i4u h ARG 1070Ca 0.35 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 3i4u h ARG 1070Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3i4u h ARG 1070CO -0.11 0.47 -0.67 0.77 -1.07 0.00 0.00 179.97 179.36 3i4u h SER 1071N 0.53 0.62 -0.09 7.04 0.02 -1.73 -2.29 113.55 117.64 3i4u h SER 1071Ca 0.13 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 3i4u h SER 1071Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3i4u h SER 1071CO -0.01 1.11 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.29 3i4u h LEU 1072N 0.38 0.67 -0.56 5.07 3.38 -1.30 -0.73 115.31 122.23 3i4u h LEU 1072Ca -0.02 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3i4u h LEU 1072Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3i4u h LEU 1072CO 0.12 1.02 0.18 0.03 0.09 0.00 0.00 178.44 179.89 3i4u h ARG 1073N 0.51 0.86 -0.64 1.13 2.47 -1.21 0.16 114.38 117.66 3i4u h ARG 1073Ca 0.04 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 3i4u h ARG 1073Cb 0.96 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3i4u h ARG 1073CO 0.09 0.78 0.08 -0.09 0.56 0.00 0.00 179.97 181.39 3i4u h ARG 1074N 0.78 1.08 -0.71 0.04 2.43 -1.32 -1.09 114.38 115.59 3i4u h ARG 1074Ca 0.18 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3i4u h ARG 1074Cb 0.27 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3i4u h ARG 1074CO -0.01 1.01 0.46 0.00 -1.51 0.00 0.00 179.97 179.92 3i4u h ALA 1075N 1.03 0.91 -0.51 2.80 0.00 -0.86 -1.35 119.26 121.27 3i4u h ALA 1075Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i4u h ALA 1075Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i4u h ALA 1075CO 0.02 0.29 0.34 0.37 0.00 0.00 0.00 179.25 180.27 3i4u h GLN 1076N 0.94 0.68 -0.54 0.00 4.15 -0.40 -0.08 115.11 119.85 3i4u h GLN 1076Ca 0.27 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3i4u h GLN 1076Cb -0.08 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3i4u h GLN 1076CO -0.07 0.46 0.33 -0.44 -1.93 0.00 0.00 178.83 177.17 3i4u h ASP 1077N 0.70 0.66 -0.41 -0.69 3.32 -0.94 -2.25 116.42 116.80 3i4u h ASP 1077Ca 0.19 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3i4u h ASP 1077Cb -0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3i4u h ASP 1077CO -0.04 0.52 0.14 0.40 -1.72 0.00 0.00 179.24 178.54 3i4u h ILE 1078N 0.73 1.21 -0.61 0.35 2.04 -0.98 -2.28 117.51 117.97 3i4u h ILE 1078Ca 0.20 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.43 3i4u h ILE 1078Cb -0.01 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3i4u h ILE 1078CO -0.04 0.25 0.31 -0.09 0.00 0.00 0.00 178.15 178.58 3i4u h ARG 1079N 0.53 0.55 -0.75 2.37 2.43 -0.84 0.72 114.38 119.39 3i4u h ARG 1079Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3i4u h ARG 1079Cb 0.24 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3i4u h ARG 1079CO -0.01 0.37 0.44 -0.22 -1.51 0.00 0.00 179.97 179.04 3i4u h LYS 1080N 0.57 1.02 -0.08 0.20 3.64 -1.25 0.14 116.57 120.82 3i4u h LYS 1080Ca 0.28 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3i4u h LYS 1080Cb 0.21 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i4u h LYS 1080CO -0.20 0.74 0.04 0.37 -2.27 0.00 0.00 179.45 178.13 3i4u h GLN 1081N 1.03 0.11 -0.79 1.90 4.15 -0.77 -1.29 115.11 119.44 3i4u h GLN 1081Ca 0.27 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 3i4u h GLN 1081Cb -0.02 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 3i4u h GLN 1081CO -0.05 0.15 0.34 0.52 -1.93 0.00 0.00 178.83 177.86 3i4u h MET 1082N 0.04 1.17 -0.83 1.69 2.86 -0.54 -2.44 114.93 116.88 3i4u h MET 1082Ca 0.03 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3i4u h MET 1082Cb 0.07 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 3i4u h MET 1082CO -0.00 0.94 0.40 1.25 1.06 0.00 0.00 176.91 180.55 3i4u h LEU 1083N 1.15 1.08 -1.34 1.22 5.85 -0.63 -1.35 115.31 121.29 3i4u h LEU 1083Ca 0.27 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3i4u h LEU 1083Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3i4u h LEU 1083CO -0.03 0.91 0.24 1.23 -0.34 0.00 0.00 178.44 180.45 3i4u h GLY 1084N 1.20 0.74 0.98 3.75 0.00 -0.80 -0.62 103.07 108.32 3i4u h GLY 1084Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3i4u h GLY 1084CO -0.04 0.32 -0.40 -2.22 0.00 0.00 0.00 176.54 174.20 3i4u h ILE 1085N 0.70 1.31 -0.40 2.60 2.04 -1.02 -1.84 117.51 120.90 3i4u h ILE 1085Ca 0.18 -1.61 0.06 0.00 1.00 0.00 0.00 64.86 64.49 3i4u h ILE 1085Cb 0.07 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 3i4u h ILE 1085CO -0.02 0.51 0.06 0.24 0.00 0.00 0.00 178.15 178.94 3i4u h MET 1086N 0.40 0.18 -0.38 2.37 2.86 -0.87 -2.79 114.93 116.70 3i4u h MET 1086Ca 0.02 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3i4u h MET 1086Cb 1.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3i4u h MET 1086CO 0.09 0.12 -0.02 -0.44 1.06 0.00 0.00 176.91 177.72 3i4u h ASP 1087N 0.19 0.68 -0.81 1.22 3.32 -1.10 0.15 116.42 120.06 3i4u h ASP 1087Ca 0.19 -0.32 0.12 0.00 0.02 0.00 0.00 57.03 57.05 3i4u h ASP 1087Cb 0.24 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 3i4u h ASP 1087CO -0.26 0.84 0.42 -0.09 -1.72 0.00 0.00 179.24 178.42 3i4u h ARG 1088N 0.51 0.62 -0.54 3.56 2.43 -1.19 -2.51 114.38 117.27 3i4u h ARG 1088Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i4u h ARG 1088Cb 0.50 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3i4u h ARG 1088CO 0.02 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.62 3i4u n HIS 1089N -4.85 1.75 -3.86 2.20 8.25 -1.07 -4.96 115.22 112.68 3i4u n HIS 1089Ca 0.15 -0.72 -0.26 0.00 -0.26 0.00 0.00 57.72 56.62 3i4u n HIS 1089Cb 0.37 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.08 3i4u n HIS 1089CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i4u n LYS 1090N 0.56 -4.74 -3.33 -0.41 5.02 -0.88 -4.95 118.16 109.43 3i4u n LYS 1090Ca 0.26 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.69 3i4u n LYS 1090Cb 1.07 -5.17 -0.09 0.00 -0.02 0.00 0.00 35.03 30.82 3i4u n LYS 1090CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i4u s LEU 1091N -6.99 4.71 0.30 -0.35 1.43 0.46 -5.03 118.68 113.20 3i4u s LEU 1091Ca 0.30 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3i4u s LEU 1091Cb -0.15 -2.39 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 3i4u s LEU 1091CO 0.84 -0.51 1.57 0.47 0.23 0.00 0.00 176.35 178.95 3i4u n ASP 1092N 5.56 3.76 -4.25 2.29 8.00 -1.26 -4.53 116.55 126.12 3i4u n ASP 1092Ca -0.07 1.15 -0.37 0.00 0.71 0.00 0.00 54.79 56.20 3i4u n ASP 1092Cb 0.48 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 39.87 3i4u n ASP 1092CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i4u s VAL 1093N -0.10 3.67 0.10 2.53 1.01 -1.26 -4.71 120.40 121.63 3i4u s VAL 1093Ca 0.63 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3i4u s VAL 1093Cb -0.51 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3i4u s VAL 1093CO 0.50 -0.21 -0.09 0.68 0.00 0.00 0.00 175.10 175.98 3i4u s VAL 1094N 1.37 0.90 0.05 2.92 -7.23 -1.26 -4.83 120.40 112.32 3i4u s VAL 1094Ca -0.02 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 3i4u s VAL 1094Cb -0.20 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 3i4u s VAL 1094CO 0.02 -0.64 0.24 -0.55 -0.31 0.00 0.00 175.10 173.86 3i4u s SER 1095N -2.63 6.41 0.00 4.85 0.15 -1.26 -0.74 113.70 120.47 3i4u s SER 1095Ca 0.08 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.39 3i4u s SER 1095Cb -0.01 -2.01 0.85 0.00 -1.71 0.00 0.00 66.02 63.14 3i4u s SER 1095CO -0.01 0.19 1.66 0.00 1.20 0.00 0.00 173.24 176.28 3i4u n GLY 1097N 1.50 4.07 0.00 0.00 0.00 -1.26 -1.41 105.19 108.09 3i4u n GLY 1097Ca 0.06 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3i4u n GLY 1097CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i4u n LYS 1098N 13.74 0.01 -1.83 1.61 2.85 -1.26 -4.54 118.16 128.75 3i4u n LYS 1098Ca 0.00 0.01 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 3i4u n LYS 1098Cb 0.00 -1.51 -0.01 0.00 -0.65 0.00 0.00 35.03 32.86 3i4u n LYS 1098CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3i4u n SER 1099N -1.53 6.42 0.00 -5.58 7.64 -0.50 -4.72 113.62 115.35 3i4u n SER 1099Ca 0.06 -2.90 0.11 0.00 1.01 0.00 0.00 58.87 57.14 3i4u n SER 1099Cb 0.34 -1.52 0.51 0.00 -1.01 0.00 0.00 64.21 62.53 3i4u n SER 1099CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i4u n THR 1100N 3.49 0.41 0.08 0.44 -2.24 -1.26 -2.61 114.28 112.59 3i4u n THR 1100Ca 0.58 0.10 0.16 0.00 -2.27 0.00 0.00 64.05 62.62 3i4u n THR 1100Cb 0.31 -0.73 0.66 0.00 -2.10 0.00 0.00 70.33 68.47 3i4u n THR 1100CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3i4u h VAL 1101N 0.00 0.83 -0.11 2.28 3.04 -1.97 -1.18 116.25 119.14 3i4u h VAL 1101Ca 0.00 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.59 3i4u h VAL 1101Cb 0.31 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3i4u h VAL 1101CO 0.00 0.01 -0.35 0.03 -1.01 0.00 0.00 177.57 176.24 3i4u h ARG 1102N 0.03 0.22 -0.21 4.17 3.08 -1.84 -0.87 114.38 118.96 3i4u h ARG 1102Ca 0.17 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3i4u h ARG 1102Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3i4u h ARG 1102CO -0.01 0.55 -0.07 0.28 -1.07 0.00 0.00 179.97 179.65 3i4u h VAL 1103N 0.19 1.29 -0.60 2.04 2.07 -1.43 -2.03 116.25 117.79 3i4u h VAL 1103Ca 0.02 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3i4u h VAL 1103Cb 0.72 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3i4u h VAL 1103CO 0.05 0.33 0.36 1.56 0.02 0.00 0.00 177.57 179.90 3i4u h GLN 1104N 0.14 0.69 -0.57 1.57 4.20 -1.11 -1.27 115.11 118.75 3i4u h GLN 1104Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3i4u h GLN 1104Cb 0.54 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 3i4u h GLN 1104CO 0.03 0.46 0.28 0.87 -0.67 0.00 0.00 178.83 179.79 3i4u h LYS 1105N 0.71 0.81 -0.54 1.46 1.57 -1.16 -1.18 116.57 118.24 3i4u h LYS 1105Ca 0.24 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3i4u h LYS 1105Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3i4u h LYS 1105CO -0.11 0.66 0.27 0.00 -0.57 0.00 0.00 179.45 179.70 3i4u h ALA 1106N 1.12 0.69 -0.45 3.86 0.00 -0.97 0.04 119.26 123.54 3i4u h ALA 1106Ca 0.20 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i4u h ALA 1106Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i4u h ALA 1106CO -0.03 0.24 0.24 0.82 0.00 0.00 0.00 179.25 180.53 3i4u h ILE 1107N 0.72 1.00 -0.90 0.00 2.04 -1.09 -2.78 117.51 116.51 3i4u h ILE 1107Ca 0.19 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3i4u h ILE 1107Cb 0.09 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3i4u h ILE 1107CO -0.03 0.09 0.54 0.00 0.00 0.00 0.00 178.15 178.75 3i4u h SER 1109N 1.24 0.00 0.06 0.00 4.64 -0.72 -0.54 113.55 118.22 3i4u h SER 1109Ca 0.32 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.27 3i4u h SER 1109Cb -0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 3i4u h SER 1109CO -0.06 0.03 -2.33 0.61 -0.87 0.00 0.00 176.83 174.21 3i4u n GLY 1110N -1.06 -0.67 0.56 -0.77 0.00 -0.79 -4.66 105.19 97.80 3i4u n GLY 1110Ca -0.03 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.84 3i4u n GLY 1110CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4u n PHE 1111N -3.08 0.52 -0.06 1.61 3.72 0.25 -4.67 117.46 115.74 3i4u n PHE 1111Ca -0.37 -1.03 0.22 0.00 -0.05 0.00 0.00 57.45 56.22 3i4u n PHE 1111Cb 1.06 -0.26 0.68 0.00 -0.94 0.00 0.00 39.48 40.02 3i4u n PHE 1111CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3i4u h PHE 1112N 0.94 0.05 0.00 1.38 -5.15 -1.32 0.14 116.94 112.98 3i4u h PHE 1112Ca 0.02 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.77 3i4u h PHE 1112Cb 1.26 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 3i4u h PHE 1112CO 0.35 0.02 -0.08 -0.09 -2.00 0.00 0.00 178.31 176.51 3i4u h ARG 1113N 0.04 0.00 -1.11 6.09 2.43 -1.87 -2.39 114.38 117.57 3i4u h ARG 1113Ca 0.31 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.95 3i4u h ARG 1113Cb 1.17 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.47 3i4u h ARG 1113CO -0.02 0.08 0.68 0.09 -1.51 0.00 0.00 179.97 179.29 3i4u n ASN 1114N -4.21 6.13 -4.77 -3.80 3.02 0.49 -4.53 115.26 107.59 3i4u n ASN 1114Ca -0.03 -3.49 -0.39 0.00 -0.03 0.00 0.00 54.58 50.64 3i4u n ASN 1114Cb 0.16 -0.93 -0.06 0.00 -0.61 0.00 0.00 39.78 38.34 3i4u n ASN 1114CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4u s ALA 1115N -3.06 3.28 -0.01 5.41 0.00 -0.90 -1.73 121.76 124.75 3i4u s ALA 1115Ca 0.52 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3i4u s ALA 1115Cb 0.42 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.33 3i4u s ALA 1115CO 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 175.76 175.90 3i4u s ALA 1116N -1.39 0.15 -0.09 0.00 0.00 0.01 -1.25 121.76 119.19 3i4u s ALA 1116Ca 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 3i4u s ALA 1116Cb -0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3i4u s ALA 1116CO 0.29 0.01 -0.04 0.21 0.00 0.00 0.00 175.76 176.23 3i4u s LYS 1117N 0.20 3.05 0.23 0.00 2.20 -0.75 -1.50 119.74 123.17 3i4u s LYS 1117Ca -0.02 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 3i4u s LYS 1117Cb -0.03 -2.74 -0.12 0.00 -1.51 0.00 0.00 37.83 33.43 3i4u s LYS 1117CO -0.01 0.58 1.68 0.21 -0.36 0.00 0.00 175.35 177.45 3i4u s LYS 1118N -0.56 4.13 -0.04 4.03 2.20 0.15 -1.24 119.74 128.40 3i4u s LYS 1118Ca 0.09 2.59 -0.23 0.00 -0.36 0.00 0.00 55.97 58.06 3i4u s LYS 1118Cb -0.12 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3i4u s LYS 1118CO 0.02 -0.71 0.67 0.34 -0.36 0.00 0.00 175.35 175.31 3i4u s ASP 1119N 0.99 6.99 0.34 1.43 2.15 0.75 -4.84 116.67 124.48 3i4u s ASP 1119Ca 0.71 1.19 0.11 0.00 0.43 0.00 0.00 52.55 54.99 3i4u s ASP 1119Cb -0.49 -2.40 0.90 0.00 -0.30 0.00 0.00 42.92 40.63 3i4u s ASP 1119CO 0.36 -0.05 1.76 -0.65 -0.17 0.00 0.00 175.17 176.42 3i4u h PRO 1120N 6.42 0.57 0.01 4.34 0.11 -1.94 -3.26 132.00 138.26 3i4u h PRO 1120Ca -0.42 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 3i4u h PRO 1120Cb 1.20 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3i4u h PRO 1120CO 0.74 0.38 -1.56 1.04 -0.21 0.00 0.00 178.00 178.38 3i4u n GLN 1121N -4.75 0.58 -3.67 1.05 1.13 -1.26 -4.99 117.38 105.46 3i4u n GLN 1121Ca 0.25 0.50 -0.08 0.00 -1.94 0.00 0.00 57.00 55.72 3i4u n GLN 1121Cb 0.72 -1.69 -0.09 0.00 0.11 0.00 0.00 30.24 29.28 3i4u n GLN 1121CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3i4u s GLU 1122N -2.40 0.48 5.68 -1.09 2.12 -1.23 -5.14 118.70 117.12 3i4u s GLU 1122Ca -0.30 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.04 3i4u s GLU 1122Cb 0.08 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.64 3i4u s GLU 1122CO 0.58 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3i4u n GLY 1123N 4.60 2.70 3.26 -1.50 0.00 -1.26 -4.55 105.19 108.45 3i4u n GLY 1123Ca -0.19 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 3i4u n GLY 1123CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i4u s TYR 1124N 0.00 1.43 -0.15 1.61 2.02 0.14 -0.17 117.35 122.22 3i4u s TYR 1124Ca 0.00 -0.59 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3i4u s TYR 1124Cb 0.00 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 3i4u s TYR 1124CO 0.00 0.17 -0.18 1.03 -1.57 0.00 0.00 175.55 175.00 3i4u s ARG 1125N -3.02 3.15 0.47 -0.62 0.52 -0.37 -0.15 118.95 118.93 3i4u s ARG 1125Ca 0.12 -0.79 -0.23 0.00 -0.52 0.00 0.00 55.73 54.31 3i4u s ARG 1125Cb -0.03 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 32.82 3i4u s ARG 1125CO 0.03 0.02 1.23 0.95 0.02 0.00 0.00 175.30 177.56 3i4u s THR 1126N 0.77 2.78 0.13 0.02 -4.23 -0.42 -1.82 115.64 112.87 3i4u s THR 1126Ca -0.07 0.61 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 3i4u s THR 1126Cb -0.16 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3i4u s THR 1126CO 0.00 0.01 1.51 -0.07 -0.54 0.00 0.00 174.62 175.53 3i4u h LEU 1127N 2.05 0.00 -0.54 4.79 4.07 -1.49 -1.77 115.31 122.41 3i4u h LEU 1127Ca -0.50 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.34 3i4u h LEU 1127Cb 1.26 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 3i4u h LEU 1127CO 0.60 0.66 -0.15 -0.29 -1.08 0.00 0.00 178.44 178.19 3i4u h ILE 1128N 0.00 1.27 0.00 1.22 2.10 -1.79 -3.39 117.51 116.91 3i4u h ILE 1128Ca -0.01 -1.31 -0.04 0.00 1.08 0.00 0.00 64.86 64.58 3i4u h ILE 1128Cb 1.31 1.01 -0.07 0.00 -1.09 0.00 0.00 36.82 37.98 3i4u h ILE 1128CO 0.09 0.46 -0.28 -0.90 -1.08 0.00 0.00 178.15 176.44 3i4u n ASP 1129N -4.13 -0.10 -2.27 2.19 5.68 -1.26 -5.04 116.55 111.62 3i4u n ASP 1129Ca 0.01 -1.53 -0.20 0.00 -0.50 0.00 0.00 54.79 52.56 3i4u n ASP 1129Cb 0.42 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 3i4u n ASP 1129CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i4u n GLN 1130N 0.05 -1.68 -2.34 0.11 1.13 -0.67 -4.96 117.38 109.03 3i4u n GLN 1130Ca -0.05 1.01 -0.41 0.00 -1.94 0.00 0.00 57.00 55.61 3i4u n GLN 1130Cb 0.65 -5.63 -0.03 0.00 0.11 0.00 0.00 30.24 25.34 3i4u n GLN 1130CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3i4u s GLN 1131N -4.83 4.46 -0.13 -1.09 0.74 -1.26 -4.65 119.66 112.89 3i4u s GLN 1131Ca 0.00 1.91 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 3i4u s GLN 1131Cb 0.00 -3.24 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 3i4u s GLN 1131CO 0.00 -0.14 1.25 0.08 -0.55 0.00 0.00 175.29 175.92 3i4u s VAL 1132N 0.08 4.26 0.16 1.34 1.01 -1.26 -1.31 120.40 124.69 3i4u s VAL 1132Ca 0.54 1.55 0.02 0.00 0.00 0.00 0.00 61.98 64.09 3i4u s VAL 1132Cb -0.33 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3i4u s VAL 1132CO 0.36 -0.10 -0.03 0.68 0.00 0.00 0.00 175.10 176.01 3i4u s VAL 1133N 3.15 0.78 0.05 2.92 -7.23 0.79 -4.72 120.40 116.14 3i4u s VAL 1133Ca 0.55 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3i4u s VAL 1133Cb -0.23 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 3i4u s VAL 1133CO 0.17 -0.60 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.94 3i4u s TYR 1134N -3.58 0.92 -0.03 2.82 2.02 -0.48 0.25 117.35 119.26 3i4u s TYR 1134Ca 0.20 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3i4u s TYR 1134Cb 0.05 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 41.04 3i4u s TYR 1134CO 0.02 -0.01 1.12 0.42 -1.57 0.00 0.00 175.55 175.52 3i4u s ILE 1135N -1.15 4.44 0.43 2.71 1.01 -1.26 0.02 121.20 127.40 3i4u s ILE 1135Ca -0.04 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.10 3i4u s ILE 1135Cb -0.09 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 3i4u s ILE 1135CO 0.01 0.05 1.27 -2.28 0.00 0.00 0.00 174.94 173.99 3i4u s HIS 1136N 1.73 2.81 0.57 3.97 5.65 -1.25 -4.91 115.29 123.84 3i4u s HIS 1136Ca 0.54 1.44 0.29 0.00 0.25 0.00 0.00 55.06 57.58 3i4u s HIS 1136Cb -0.23 -3.61 1.47 0.00 -1.18 0.00 0.00 32.58 29.03 3i4u s HIS 1136CO 0.23 -1.99 1.91 -1.35 -0.65 0.00 0.00 174.74 172.90 3i4u h PRO 1137N 2.47 0.00 0.00 2.88 0.11 -1.96 -0.82 132.00 134.68 3i4u h PRO 1137Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i4u h PRO 1137Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i4u h PRO 1137CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 3i4u h SER 1138N 0.00 0.00 -4.05 -2.05 4.64 -2.00 -3.46 113.55 106.63 3i4u h SER 1138Ca 0.28 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.06 3i4u h SER 1138Cb 1.30 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.51 3i4u h SER 1138CO -0.00 0.00 0.55 -0.55 -0.87 0.00 0.00 176.83 175.96 3i4u s SER 1139N -5.09 5.45 0.35 4.97 0.15 -0.31 -4.89 113.70 114.32 3i4u s SER 1139Ca 0.08 2.58 0.26 0.00 0.70 0.00 0.00 55.95 59.57 3i4u s SER 1139Cb 0.10 -2.62 1.22 0.00 -1.71 0.00 0.00 66.02 63.01 3i4u s SER 1139CO 0.60 -1.43 1.79 0.00 1.20 0.00 0.00 173.24 175.39 3i4u h ALA 1140N 1.46 1.00 -0.03 5.45 0.00 -1.88 -2.71 119.26 122.55 3i4u h ALA 1140Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i4u h ALA 1140Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i4u h ALA 1140CO 0.57 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 181.07 3i4u n LEU 1141N -2.42 2.90 -0.27 0.00 4.32 -1.26 -4.60 117.00 115.67 3i4u n LEU 1141Ca 0.00 -0.97 -0.00 0.00 -0.02 0.00 0.00 56.01 55.01 3i4u n LEU 1141Cb 0.16 -0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.15 3i4u n LEU 1141CO 0.17 0.49 1.25 0.15 -1.22 0.00 0.00 177.39 178.23 3i4u h PHE 1142N 4.50 1.06 -0.18 -1.77 3.04 -1.72 -2.08 116.94 119.78 3i4u h PHE 1142Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3i4u h PHE 1142Cb 0.97 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.13 3i4u h PHE 1142CO 0.00 0.67 0.00 0.09 -2.02 0.00 0.00 178.31 177.05 3i4u n ASN 1143N -4.40 2.66 -3.02 0.41 5.03 -1.26 -4.37 115.26 110.30 3i4u n ASN 1143Ca 0.09 -1.86 -0.15 0.00 0.87 0.00 0.00 54.58 53.53 3i4u n ASN 1143Cb 0.03 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 3i4u n ASN 1143CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 3i4u n ARG 1144N 1.01 1.02 -1.98 3.52 1.85 -0.84 -5.11 116.66 116.13 3i4u n ARG 1144Ca 0.17 -3.14 -0.43 0.00 -1.00 0.00 0.00 57.85 53.45 3i4u n ARG 1144Cb 0.51 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 3i4u n ARG 1144CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3i4u s GLN 1145N -2.17 3.42 0.86 2.89 -0.21 -0.85 -4.87 119.66 118.72 3i4u s GLN 1145Ca 0.35 1.54 -0.11 0.00 0.02 0.00 0.00 55.36 57.16 3i4u s GLN 1145Cb 0.37 -4.18 0.15 0.00 1.00 0.00 0.00 33.01 30.35 3i4u s GLN 1145CO -0.05 -1.76 1.19 -1.25 -2.12 0.00 0.00 175.29 171.30 3i4u s PRO 1146N 5.51 1.23 0.12 2.91 0.04 -1.26 -5.01 135.00 138.55 3i4u s PRO 1146Ca 0.80 -0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.20 3i4u s PRO 1146Cb -0.24 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3i4u s PRO 1146CO 0.33 -1.95 1.60 1.49 0.04 0.00 0.00 177.00 178.52 3i4u h GLU 1147N -1.18 0.65 -4.96 4.56 4.57 -1.94 -3.41 114.58 112.87 3i4u h GLU 1147Ca -0.43 -0.18 -0.47 0.00 -1.18 0.00 0.00 59.36 57.11 3i4u h GLU 1147Cb 1.26 -0.07 -0.30 0.00 -0.16 0.00 0.00 28.75 29.48 3i4u h GLU 1147CO 0.45 0.71 -0.80 -1.58 -1.18 0.00 0.00 179.01 176.60 3i4u s TRP 1148N -5.17 1.17 0.06 0.92 0.52 -1.26 -0.68 118.94 114.51 3i4u s TRP 1148Ca -0.13 -0.27 -0.00 0.00 0.02 0.00 0.00 56.10 55.71 3i4u s TRP 1148Cb 0.10 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 3i4u s TRP 1148CO 0.78 -0.08 -0.04 0.14 0.02 0.00 0.00 176.95 177.77 3i4u s VAL 1149N -0.04 0.36 0.09 4.03 -7.23 -0.56 -1.84 120.40 115.21 3i4u s VAL 1149Ca 0.00 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3i4u s VAL 1149Cb -0.08 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3i4u s VAL 1149CO 0.00 -0.96 -0.17 0.68 -0.31 0.00 0.00 175.10 174.34 3i4u s VAL 1150N -3.80 2.87 0.16 1.32 -7.23 -0.54 -0.81 120.40 112.38 3i4u s VAL 1150Ca 0.08 -1.40 0.11 0.00 -1.81 0.00 0.00 61.98 58.96 3i4u s VAL 1150Cb 0.07 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3i4u s VAL 1150CO -0.08 0.17 -0.25 -0.72 -0.31 0.00 0.00 175.10 173.90 3i4u s TYR 1151N -1.09 2.32 0.00 2.82 -0.85 -0.70 -1.20 117.35 118.64 3i4u s TYR 1151Ca 0.17 -0.36 -0.25 0.00 -0.52 0.00 0.00 57.07 56.11 3i4u s TYR 1151Cb -0.11 -1.21 -0.19 0.00 0.38 0.00 0.00 41.96 40.84 3i4u s TYR 1151CO 0.09 0.41 1.35 1.25 -1.52 0.00 0.00 175.55 177.13 3i4u h HIS 1152N 3.58 0.05 -3.26 -3.49 -0.00 -0.44 -3.44 115.15 108.15 3i4u h HIS 1152Ca -0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.86 3i4u h HIS 1152Cb 1.19 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 28.49 3i4u h HIS 1152CO 0.64 0.45 0.06 -1.83 -0.00 0.00 0.00 177.93 177.25 3i4u s GLU 1153N -4.54 1.43 -0.14 5.26 -1.05 -1.06 -5.02 118.70 113.57 3i4u s GLU 1153Ca -0.15 -0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 53.74 3i4u s GLU 1153Cb 0.03 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 3i4u s GLU 1153CO 0.68 -0.62 0.08 -0.51 0.95 0.00 0.00 175.26 175.84 3i4u s LEU 1154N -2.88 3.98 -0.08 1.83 1.43 -1.26 -0.26 118.68 121.44 3i4u s LEU 1154Ca 0.09 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3i4u s LEU 1154Cb -0.02 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3i4u s LEU 1154CO -0.02 0.29 -0.05 -0.69 0.23 0.00 0.00 176.35 176.11 3i4u s VAL 1155N -0.33 0.75 -0.37 -1.59 1.01 0.45 -4.96 120.40 115.35 3i4u s VAL 1155Ca 0.09 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 3i4u s VAL 1155Cb -0.12 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.47 3i4u s VAL 1155CO 0.02 0.31 0.67 -0.22 0.00 0.00 0.00 175.10 175.87 3i4u s LEU 1156N 1.58 4.25 0.00 3.92 2.96 -1.26 -0.72 118.68 129.40 3i4u s LEU 1156Ca 0.01 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3i4u s LEU 1156Cb -0.13 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.73 3i4u s LEU 1156CO -0.05 -0.65 0.00 0.35 -1.32 0.00 0.00 176.35 174.69 3i4u n THR 1157N 5.66 0.00 0.05 3.68 -2.24 -1.26 -4.94 114.28 115.23 3i4u n THR 1157Ca -0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 3i4u n THR 1157Cb 0.48 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 3i4u n THR 1157CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i4u h THR 1158N 0.00 1.30 -3.77 4.28 2.02 -2.03 -3.47 112.91 111.23 3i4u h THR 1158Ca 0.00 -2.31 -0.52 0.00 0.77 0.00 0.00 66.41 64.36 3i4u h THR 1158Cb 0.00 2.42 -0.13 0.00 -1.74 0.00 0.00 68.15 68.70 3i4u h THR 1158CO 0.00 0.71 -0.50 -0.54 0.37 0.00 0.00 175.52 175.56 3i4u s LYS 1159N -3.27 1.85 -0.89 6.66 1.02 -1.26 -5.07 119.74 118.78 3i4u s LYS 1159Ca -0.09 -2.11 -0.25 0.00 0.02 0.00 0.00 55.97 53.54 3i4u s LYS 1159Cb 0.07 -0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.29 3i4u s LYS 1159CO 0.91 -0.58 1.43 -2.00 -0.92 0.00 0.00 175.35 174.19 3i4u s GLU 1160N -3.57 3.34 -0.10 1.68 2.56 -1.26 -4.29 118.70 117.05 3i4u s GLU 1160Ca 0.32 -0.66 -0.12 0.00 0.00 0.00 0.00 54.97 54.51 3i4u s GLU 1160Cb 0.02 -4.84 -0.05 0.00 2.00 0.00 0.00 34.13 31.27 3i4u s GLU 1160CO 0.21 -2.27 0.28 0.71 -0.56 0.00 0.00 175.26 173.63 3i4u s TYR 1161N 5.73 3.58 0.25 5.30 2.02 0.10 -1.38 117.35 132.95 3i4u s TYR 1161Ca 0.44 0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 57.53 3i4u s TYR 1161Cb -0.04 -2.21 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 3i4u s TYR 1161CO 0.02 0.49 1.09 -1.64 -1.57 0.00 0.00 175.55 173.94 3i4u s MET 1162N -0.39 4.64 -0.18 -0.62 -1.94 0.10 -0.41 119.30 120.51 3i4u s MET 1162Ca 0.18 1.77 0.01 0.00 -1.71 0.00 0.00 55.69 55.94 3i4u s MET 1162Cb -0.14 -3.21 0.01 0.00 2.01 0.00 0.00 34.83 33.50 3i4u s MET 1162CO 0.07 0.20 -0.18 0.50 -0.01 0.00 0.00 175.02 175.59 3i4u s ARG 1163N -1.18 3.07 -0.23 2.03 3.52 0.64 -3.95 118.95 122.85 3i4u s ARG 1163Ca 0.45 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3i4u s ARG 1163Cb -0.31 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 3i4u s ARG 1163CO 0.39 -0.15 0.02 0.39 -0.81 0.00 0.00 175.30 175.14 3i4u n GLU 1164N 4.50 -2.85 -4.47 5.12 -0.58 -1.26 -2.07 120.64 119.02 3i4u n GLU 1164Ca -0.20 2.37 -0.34 0.00 -0.42 0.00 0.00 57.16 58.56 3i4u n GLU 1164Cb 0.51 -4.43 -0.10 0.00 -0.57 0.00 0.00 31.44 26.84 3i4u n GLU 1164CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3i4u s VAL 1165N -1.21 4.07 -0.05 2.62 -7.23 -1.26 -0.92 120.40 116.43 3i4u s VAL 1165Ca -0.02 -0.36 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 3i4u s VAL 1165Cb 0.00 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 3i4u s VAL 1165CO 0.62 0.59 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.92 3i4u s THR 1166N -0.87 1.53 0.25 5.32 2.01 -0.34 -0.44 115.64 123.10 3i4u s THR 1166Ca 0.13 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 3i4u s THR 1166Cb -0.11 -1.31 -0.10 0.00 0.01 0.00 0.00 72.50 70.99 3i4u s THR 1166CO 0.02 0.44 1.40 -0.89 -0.69 0.00 0.00 174.62 174.90 3i4u s THR 1167N 0.01 2.76 0.21 -0.82 2.01 -0.58 -1.47 115.64 117.78 3i4u s THR 1167Ca -0.04 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.68 3i4u s THR 1167Cb -0.12 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 3i4u s THR 1167CO 0.02 0.11 -0.10 0.27 -0.69 0.00 0.00 174.62 174.24 3i4u s ILE 1168N -0.13 1.52 -0.15 1.82 -4.36 -0.76 -4.88 121.20 114.25 3i4u s ILE 1168Ca 0.57 -2.14 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 3i4u s ILE 1168Cb -0.41 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 3i4u s ILE 1168CO 0.44 -0.53 0.38 -0.62 0.24 0.00 0.00 174.94 174.85 3i4u s ASP 1169N -3.31 6.54 0.61 4.36 -1.08 -1.26 -4.46 116.67 118.06 3i4u s ASP 1169Ca 0.24 0.64 0.31 0.00 -0.52 0.00 0.00 52.55 53.21 3i4u s ASP 1169Cb 0.02 -2.23 1.73 0.00 -1.46 0.00 0.00 42.92 40.98 3i4u s ASP 1169CO 0.07 0.03 2.10 1.55 0.52 0.00 0.00 175.17 179.45 3i4u h PRO 1170N 6.79 0.00 0.00 4.34 0.13 -2.00 -1.07 132.00 140.19 3i4u h PRO 1170Ca -0.40 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3i4u h PRO 1170Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i4u h PRO 1170CO 0.75 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.36 3i4u h ARG 1171N 0.00 0.00 -0.08 0.86 3.08 -2.01 -2.63 114.38 113.59 3i4u h ARG 1171Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3i4u h ARG 1171Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3i4u h ARG 1171CO -0.00 0.17 -0.22 -1.49 -1.07 0.00 0.00 179.97 177.35 3i4u h TRP 1172N 0.00 0.15 -0.46 3.04 6.55 -1.61 -1.41 115.95 122.22 3i4u h TRP 1172Ca -0.00 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.83 3i4u h TRP 1172Cb 0.45 -0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 3i4u h TRP 1172CO 0.00 0.36 0.29 -0.07 -1.05 0.00 0.00 178.44 177.97 3i4u h LEU 1173N 0.13 0.50 -0.49 -4.49 3.38 -1.61 -0.37 115.31 112.36 3i4u h LEU 1173Ca 0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3i4u h LEU 1173Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3i4u h LEU 1173CO 0.03 0.36 -0.21 0.58 0.09 0.00 0.00 178.44 179.29 3i4u h VAL 1174N 0.59 1.27 -0.37 1.22 2.07 -1.58 -0.28 116.25 119.17 3i4u h VAL 1174Ca 0.17 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3i4u h VAL 1174Cb -0.04 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3i4u h VAL 1174CO -0.05 0.48 0.23 -0.08 0.02 0.00 0.00 177.57 178.16 3i4u h GLU 1175N 0.86 0.45 0.00 1.57 4.81 -0.84 -2.06 114.58 119.37 3i4u h GLU 1175Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3i4u h GLU 1175Cb 0.79 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3i4u h GLU 1175CO 0.07 0.30 -1.23 1.19 -0.73 0.00 0.00 179.01 178.61 3i4u n PHE 1176N -4.86 0.15 -3.11 0.92 3.72 -0.19 -4.49 117.46 109.61 3i4u n PHE 1176Ca 0.00 0.04 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 3i4u n PHE 1176Cb 0.04 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.23 3i4u n PHE 1176CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i4u n ALA 1177N -1.84 1.53 0.24 4.37 0.00 -0.12 -4.98 120.51 119.71 3i4u n ALA 1177Ca 0.01 -3.06 0.08 0.00 0.00 0.00 0.00 53.44 50.47 3i4u n ALA 1177Cb 0.44 -0.97 0.61 0.00 0.00 0.00 0.00 19.45 19.54 3i4u n ALA 1177CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i4u h PRO 1178N 3.06 0.00 0.00 0.00 0.13 -1.52 -1.23 132.00 132.43 3i4u h PRO 1178Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3i4u h PRO 1178Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3i4u h PRO 1178CO 0.44 0.13 -0.16 0.00 -0.23 0.00 0.00 178.00 178.17 3i4u h ALA 1179N 1.87 0.92 0.00 -0.56 0.00 -1.93 -3.34 119.26 116.22 3i4u h ALA 1179Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3i4u h ALA 1179Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i4u h ALA 1179CO 0.02 0.00 -1.09 0.35 0.00 0.00 0.00 179.25 178.53 3i4u h PHE 1180N 0.00 0.00 -4.21 0.00 3.57 -1.60 -3.43 116.94 111.28 3i4u h PHE 1180Ca 0.00 0.00 -0.69 0.00 3.53 0.00 0.00 57.97 60.81 3i4u h PHE 1180Cb 0.96 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.45 3i4u h PHE 1180CO 0.00 0.40 -0.87 -0.06 -2.23 0.00 0.00 178.31 175.55 3i4u s PHE 1181N -3.05 2.34 -0.03 0.41 0.08 -1.10 -3.50 117.98 113.13 3i4u s PHE 1181Ca -0.01 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3i4u s PHE 1181Cb 0.08 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3i4u s PHE 1181CO 0.79 0.17 0.02 -1.59 -0.10 0.00 0.00 175.22 174.51 3i4u s LYS 1182N -1.41 2.90 -0.44 0.44 -2.85 -0.73 -4.58 119.74 113.08 3i4u s LYS 1182Ca 0.12 -0.52 -0.06 0.00 -1.00 0.00 0.00 55.97 54.51 3i4u s LYS 1182Cb -0.10 -2.75 -0.15 0.00 -2.06 0.00 0.00 37.83 32.77 3i4u s LYS 1182CO 0.03 0.65 3.28 0.28 0.10 0.00 0.00 175.35 179.70 3i4u n VAL 1183N 1.58 3.42 -0.02 1.79 0.31 -1.26 -2.83 118.33 121.33 3i4u n VAL 1183Ca -0.16 -2.13 -0.00 0.00 -0.01 0.00 0.00 64.34 62.04 3i4u n VAL 1183Cb 0.53 -2.04 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3i4u n VAL 1183CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i4u h LEU 1184N 5.18 0.00 0.00 7.52 3.38 -1.92 -3.47 115.31 126.01 3i4u h LEU 1184Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3i4u h LEU 1184Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i4u h LEU 1184CO 0.69 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.89 3i4u n ASP 1191N -3.06 0.00 -4.77 -0.43 10.43 -1.26 -4.71 116.55 112.74 3i4u n ASP 1191Ca -0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 3i4u n ASP 1191Cb 0.01 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 42.90 3i4u n ASP 1191CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3i4u s HIS 1192N 0.00 3.50 0.41 1.24 3.76 -1.23 -4.68 115.29 118.29 3i4u s HIS 1192Ca 0.00 0.51 -0.23 0.00 -0.15 0.00 0.00 55.06 55.19 3i4u s HIS 1192Cb 0.00 -2.17 -0.09 0.00 1.11 0.00 0.00 32.58 31.43 3i4u s HIS 1192CO 0.00 0.41 1.03 0.20 -0.85 0.00 0.00 174.74 175.53 3i4u s GLY 1193N -0.06 2.65 0.00 -2.22 0.00 -1.26 -1.77 107.32 104.66 3i4u s GLY 1193Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.49 3i4u s GLY 1193CO 0.02 1.02 0.45 1.04 0.00 0.00 0.00 173.10 175.64