#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jve n PRO 902 N 0.00 2.16 -4.17 0.00 -0.02 -1.26 -5.04 135.00 126.67 3jve n PRO 902 Ca 0.00 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 62.06 3jve n PRO 902 Cb 0.00 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 30.94 3jve n PRO 902 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3jve s LYS 903 N -0.76 0.82 0.40 -0.52 1.02 -1.26 -5.08 119.74 114.36 3jve s LYS 903 Ca 0.65 -0.95 0.18 0.00 0.02 0.00 0.00 55.97 55.86 3jve s LYS 903 Cb -0.61 -0.82 0.86 0.00 -0.52 0.00 0.00 37.83 36.74 3jve s LYS 903 CO 0.52 0.18 1.84 -1.35 -0.92 0.00 0.00 175.35 175.63 3jve h PRO 904 N 4.30 0.00 -0.48 -1.68 0.11 -1.84 -2.60 132.00 129.81 3jve h PRO 904 Ca -0.41 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 3jve h PRO 904 Cb 1.19 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3jve h PRO 904 CO 0.40 0.32 0.09 1.28 -0.21 0.00 0.00 178.00 179.89 3jve n LEU 905 N -3.80 4.89 -4.65 2.35 4.77 0.40 -4.36 117.00 116.59 3jve n LEU 905 Ca -0.01 -3.24 -0.44 0.00 -0.03 0.00 0.00 56.01 52.28 3jve n LEU 905 Cb 0.41 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3jve n LEU 905 CO 0.36 0.84 0.84 1.41 -1.33 0.00 0.00 177.39 179.51 3jve n HIS 906 N -0.45 1.90 -0.53 -1.77 8.25 -0.98 -1.59 115.22 120.06 3jve n HIS 906 Ca 0.32 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 3jve n HIS 906 Cb 1.13 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.87 3jve n HIS 906 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jve n LYS 907 N 1.17 0.00 -2.70 -0.41 5.02 -1.26 -4.97 118.16 115.00 3jve n LYS 907 Ca 0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 3jve n LYS 907 Cb 0.33 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 32.74 3jve n LYS 907 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jve s VAL 908 N -3.06 3.97 -0.26 -0.18 1.01 -0.62 -4.97 120.40 116.31 3jve s VAL 908 Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 61.98 63.97 3jve s VAL 908 Cb 0.00 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.20 3jve s VAL 908 CO 0.00 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3jve s VAL 909 N -1.20 1.73 0.29 2.92 1.01 -1.26 -0.80 120.40 123.08 3jve s VAL 909 Ca 0.42 -1.48 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 3jve s VAL 909 Cb -0.27 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 3jve s VAL 909 CO 0.33 -0.19 0.61 0.68 0.00 0.00 0.00 175.10 176.54 3jve s VAL 910 N 1.28 4.89 -0.04 2.92 -7.23 -0.21 -0.74 120.40 121.27 3jve s VAL 910 Ca -0.03 0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 60.60 3jve s VAL 910 Cb -0.19 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.12 3jve s VAL 910 CO -0.07 -0.22 0.06 0.00 -0.31 0.00 0.00 175.10 174.56 3jve s VAL 912 N 1.74 5.02 0.75 0.00 1.01 -1.26 -0.88 120.40 126.79 3jve s VAL 912 Ca -0.01 1.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 3jve s VAL 912 Cb -0.12 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3jve s VAL 912 CO -0.03 0.22 1.04 -1.54 0.00 0.00 0.00 175.10 174.78 3jve n SER 913 N 4.02 0.64 -0.05 3.32 3.41 -0.49 -4.88 113.62 119.58 3jve n SER 913 Ca -0.00 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 3jve n SER 913 Cb 0.51 -1.44 0.46 0.00 -0.26 0.00 0.00 64.21 63.48 3jve n SER 913 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3jve h LYS 914 N -0.44 0.47 -0.44 4.33 1.57 -1.96 -0.57 116.57 119.53 3jve h LYS 914 Ca -0.47 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 3jve h LYS 914 Cb 1.32 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3jve h LYS 914 CO 0.46 0.31 0.30 0.87 -0.57 0.00 0.00 179.45 180.82 3jve h LYS 915 N 0.48 0.40 -0.82 3.15 1.57 -1.94 -1.71 116.57 117.70 3jve h LYS 915 Ca 0.23 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.75 3jve h LYS 915 Cb 0.29 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.37 3jve h LYS 915 CO -0.06 0.26 0.29 1.28 -0.57 0.00 0.00 179.45 180.65 3jve n LEU 916 N -4.48 5.76 -0.19 2.94 4.77 -0.23 -4.67 117.00 120.90 3jve n LEU 916 Ca 0.05 -3.00 0.14 0.00 -0.03 0.00 0.00 56.01 53.18 3jve n LEU 916 Cb 0.21 -0.73 0.47 0.00 -2.33 0.00 0.00 43.42 41.04 3jve n LEU 916 CO 0.35 0.78 1.21 0.77 -1.33 0.00 0.00 177.39 179.17 3jve h SER 917 N 2.20 0.45 0.39 -1.43 4.64 -1.25 -0.58 113.55 117.97 3jve h SER 917 Ca 0.28 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 3jve h SER 917 Cb 2.24 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 64.26 3jve h SER 917 CO 0.71 0.24 -0.09 0.11 -0.87 0.00 0.00 176.83 176.93 3jve h LYS 918 N 0.49 0.00 -0.05 4.77 1.57 -1.86 -2.38 116.57 119.11 3jve h LYS 918 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3jve h LYS 918 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3jve h LYS 918 CO -0.14 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.46 3jve n LYS 919 N -3.51 1.84 0.16 3.15 5.02 -0.26 -4.77 118.16 119.78 3jve n LYS 919 Ca -0.02 -1.73 -0.14 0.00 -2.02 0.00 0.00 58.31 54.40 3jve n LYS 919 Cb 0.22 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 3jve n LYS 919 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3jve h GLN 920 N 3.95 -0.32 -0.65 1.97 4.15 -1.08 -0.34 115.11 122.79 3jve h GLN 920 Ca 0.00 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.49 3jve h GLN 920 Cb 0.84 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.56 3jve h GLN 920 CO 0.00 -0.18 0.36 1.03 -1.93 0.00 0.00 178.83 178.12 3jve h SER 921 N -0.39 0.55 -0.22 -0.69 0.87 -1.86 0.50 113.55 112.32 3jve h SER 921 Ca -0.03 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3jve h SER 921 Cb 0.29 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3jve h SER 921 CO 0.06 0.36 0.12 -0.08 -0.53 0.00 0.00 176.83 176.76 3jve h GLU 922 N 0.68 0.31 -0.60 2.24 4.81 -1.84 -1.32 114.58 118.85 3jve h GLU 922 Ca 0.28 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3jve h GLU 922 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3jve h GLU 922 CO -0.17 0.29 0.05 -0.07 -0.73 0.00 0.00 179.01 178.39 3jve h LEU 923 N 0.24 0.98 -0.70 1.64 3.38 -0.79 -1.08 115.31 118.98 3jve h LEU 923 Ca 0.08 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3jve h LEU 923 Cb 0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3jve h LEU 923 CO -0.01 1.01 0.40 0.78 0.09 0.00 0.00 178.44 180.71 3jve h ASN 924 N 0.94 0.60 -0.08 -0.43 2.35 -0.70 -1.00 115.58 117.27 3jve h ASN 924 Ca 0.18 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 3jve h ASN 924 Cb 0.48 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3jve h ASN 924 CO 0.02 0.39 -0.34 1.23 -1.65 0.00 0.00 177.43 177.08 3jve h GLY 925 N 0.74 0.63 0.94 2.83 0.00 -0.77 0.06 103.07 107.49 3jve h GLY 925 Ca 0.31 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3jve h GLY 925 CO -0.18 0.53 0.13 -2.22 0.00 0.00 0.00 176.54 174.80 3jve h ILE 926 N 0.49 1.21 -0.47 2.60 2.04 -0.81 -1.27 117.51 121.30 3jve h ILE 926 Ca 0.05 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3jve h ILE 926 Cb 0.82 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3jve h ILE 926 CO 0.07 0.24 0.24 0.00 0.00 0.00 0.00 178.15 178.69 3jve h ALA 927 N 0.98 0.60 -0.33 1.87 0.00 -0.98 -2.88 119.26 118.52 3jve h ALA 927 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3jve h ALA 927 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3jve h ALA 927 CO -0.01 0.15 0.03 0.00 0.00 0.00 0.00 179.25 179.42 3jve h ALA 928 N 1.08 1.43 0.00 0.00 0.00 -0.80 -1.36 119.26 119.61 3jve h ALA 928 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3jve h ALA 928 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jve h ALA 928 CO -0.02 0.41 -0.11 0.77 0.00 0.00 0.00 179.25 180.29 3jve h SER 929 N 0.49 0.00 -0.37 0.00 0.02 -1.02 -0.56 113.55 112.11 3jve h SER 929 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3jve h SER 929 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3jve h SER 929 CO 0.01 0.11 0.00 0.18 -1.14 0.00 0.00 176.83 175.98 3jve n LEU 930 N -3.71 2.42 0.00 5.07 4.77 -0.60 -4.94 117.00 120.01 3jve n LEU 930 Ca -0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 3jve n LEU 930 Cb 0.22 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3jve n LEU 930 CO 0.30 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3jve n GLY 931 N 1.26 0.71 3.83 -0.72 0.00 -0.22 -0.45 105.19 109.60 3jve n GLY 931 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3jve n GLY 931 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jve s ALA 932 N -2.47 2.89 0.58 4.61 0.00 -0.68 -3.84 121.76 122.86 3jve s ALA 932 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 3jve s ALA 932 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.00 3jve s ALA 932 CO 0.00 -0.69 0.83 -0.51 0.00 0.00 0.00 175.76 175.39 3jve s ASP 933 N -3.32 5.22 0.03 0.00 1.11 0.02 -4.02 116.67 115.71 3jve s ASP 933 Ca 0.60 0.16 -0.08 0.00 0.18 0.00 0.00 52.55 53.40 3jve s ASP 933 Cb -0.13 -1.02 0.00 0.00 1.07 0.00 0.00 42.92 42.84 3jve s ASP 933 CO 0.42 -1.21 0.17 -0.72 1.18 0.00 0.00 175.17 175.00 3jve s TYR 934 N -2.87 0.08 0.05 4.23 -0.85 -1.26 -1.05 117.35 115.68 3jve s TYR 934 Ca 0.57 -0.29 0.09 0.00 -0.52 0.00 0.00 57.07 56.92 3jve s TYR 934 Cb -0.10 -0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 3jve s TYR 934 CO 0.40 -0.39 -0.25 1.03 -1.52 0.00 0.00 175.55 174.82 3jve s ARG 935 N -2.34 1.68 0.43 -3.49 1.81 -0.12 -4.91 118.95 112.02 3jve s ARG 935 Ca -0.07 -1.11 0.27 0.00 -1.72 0.00 0.00 55.73 53.10 3jve s ARG 935 Cb -0.02 -1.88 0.76 0.00 -0.45 0.00 0.00 34.95 33.36 3jve s ARG 935 CO -0.03 0.48 1.75 -1.49 -0.68 0.00 0.00 175.30 175.33 3jve h TRP 936 N 4.70 0.00 -3.61 -0.53 4.06 -1.97 -3.40 115.95 115.21 3jve h TRP 936 Ca -0.46 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.42 3jve h TRP 936 Cb 1.15 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.18 3jve h TRP 936 CO 0.50 0.00 -0.19 -1.54 -3.56 0.00 0.00 178.44 173.65 3jve s SER 937 N -5.71 -0.08 0.22 -3.49 1.04 -1.26 -4.89 113.70 99.53 3jve s SER 937 Ca 0.05 -0.59 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 3jve s SER 937 Cb 0.07 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 3jve s SER 937 CO 0.60 -0.88 1.20 0.12 0.98 0.00 0.00 173.24 175.26 3jve s PHE 938 N -3.88 3.41 0.21 5.02 5.36 -1.26 -5.01 117.98 121.83 3jve s PHE 938 Ca 0.09 1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.49 3jve s PHE 938 Cb 0.02 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.28 3jve s PHE 938 CO -0.06 -1.19 0.33 -0.40 -1.46 0.00 0.00 175.22 172.44 3jve n ASP 939 N 2.09 -0.95 0.00 6.13 5.68 -1.26 -5.05 116.55 123.20 3jve n ASP 939 Ca 0.03 -2.08 0.11 0.00 -0.50 0.00 0.00 54.79 52.35 3jve n ASP 939 Cb 0.44 1.70 0.55 0.00 -1.14 0.00 0.00 41.12 42.67 3jve n ASP 939 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3jve n GLU 940 N -0.34 0.28 0.10 0.11 0.28 -1.26 -2.21 120.64 117.60 3jve n GLU 940 Ca -0.01 0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 3jve n GLU 940 Cb 0.35 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.95 3jve n GLU 940 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3jve h THR 941 N 0.00 0.00 -3.32 3.84 1.35 -1.98 -3.47 112.91 109.33 3jve h THR 941 Ca 0.00 -0.61 -0.52 0.00 -0.55 0.00 0.00 66.41 64.73 3jve h THR 941 Cb 0.23 1.38 0.03 0.00 -1.73 0.00 0.00 68.15 68.05 3jve h THR 941 CO 0.00 0.00 0.66 -0.69 -0.25 0.00 0.00 175.52 175.24 3jve s VAL 942 N -3.17 3.27 -0.09 6.82 1.01 -0.94 -4.66 120.40 122.64 3jve s VAL 942 Ca 0.07 1.01 0.14 0.00 0.00 0.00 0.00 61.98 63.20 3jve s VAL 942 Cb 0.11 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 3jve s VAL 942 CO 0.68 0.14 0.16 0.35 0.00 0.00 0.00 175.10 176.43 3jve n THR 943 N 2.90 0.58 -3.70 3.92 -2.24 0.09 -4.94 114.28 110.88 3jve n THR 943 Ca 0.07 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.12 3jve n THR 943 Cb 0.43 -0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.17 3jve n THR 943 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3jve s HIS 944 N -2.63 0.42 -0.23 4.78 3.76 -0.82 -2.37 115.29 118.21 3jve s HIS 944 Ca -0.06 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.62 3jve s HIS 944 Cb 0.06 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 3jve s HIS 944 CO 0.60 -0.36 0.10 0.12 -0.85 0.00 0.00 174.74 174.35 3jve s PHE 945 N 2.06 3.19 -0.35 1.40 5.36 0.36 -1.06 117.98 128.93 3jve s PHE 945 Ca 0.04 -0.09 -0.15 0.00 -0.96 0.00 0.00 56.93 55.76 3jve s PHE 945 Cb -0.14 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3jve s PHE 945 CO -0.06 -0.10 0.37 0.42 -1.46 0.00 0.00 175.22 174.40 3jve s ILE 946 N 1.15 5.16 -0.08 3.12 1.01 -0.05 -1.17 121.20 130.33 3jve s ILE 946 Ca 0.05 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 3jve s ILE 946 Cb -0.14 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.51 3jve s ILE 946 CO 0.04 -0.12 0.35 -0.47 0.00 0.00 0.00 174.94 174.73 3jve s TYR 947 N 2.04 -0.31 -0.09 3.97 5.04 -0.21 -1.40 117.35 126.39 3jve s TYR 947 Ca 0.12 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.45 3jve s TYR 947 Cb -0.17 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.28 3jve s TYR 947 CO 0.12 -0.29 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.19 3jve s GLN 948 N -0.51 2.63 0.00 4.97 -1.52 -1.26 -3.56 119.66 120.42 3jve s GLN 948 Ca -0.06 -0.73 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 3jve s GLN 948 Cb -0.04 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 3jve s GLN 948 CO 0.02 0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.59 3jve n GLY 949 N 3.66 2.32 3.48 3.09 0.00 -0.33 -5.03 105.19 112.37 3jve n GLY 949 Ca -0.20 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 3jve n GLY 949 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jve s ARG 950 N 1.30 1.68 0.39 1.61 1.70 -1.26 -4.07 118.95 120.30 3jve s ARG 950 Ca 0.00 -1.82 -0.26 0.00 -0.47 0.00 0.00 55.73 53.18 3jve s ARG 950 Cb 0.00 -1.58 -0.11 0.00 -0.57 0.00 0.00 34.95 32.69 3jve s ARG 950 CO 0.00 0.19 1.22 -2.30 -1.08 0.00 0.00 175.30 173.33 3jve n PRO 951 N -0.66 1.86 -4.00 3.89 -0.02 -1.26 -2.39 135.00 132.42 3jve n PRO 951 Ca -0.05 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 3jve n PRO 951 Cb 0.62 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3jve n PRO 951 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jve n ASN 952 N 0.47 -2.75 -4.74 2.55 3.02 -1.26 -4.90 115.26 107.65 3jve n ASN 952 Ca 0.07 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 3jve n ASN 952 Cb 0.38 -3.32 -0.01 0.00 -0.61 0.00 0.00 39.78 36.23 3jve n ASN 952 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3jve n ASP 953 N -2.84 3.49 -0.98 6.41 -0.08 -1.01 -4.92 116.55 116.63 3jve n ASP 953 Ca -0.08 1.20 0.11 0.00 -1.51 0.00 0.00 54.79 54.51 3jve n ASP 953 Cb 0.57 -1.57 0.16 0.00 2.34 0.00 0.00 41.12 42.62 3jve n ASP 953 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3jve n THR 954 N 0.81 0.33 -1.69 5.18 -2.24 -1.26 -4.84 114.28 110.57 3jve n THR 954 Ca 0.04 -0.67 -0.45 0.00 -2.27 0.00 0.00 64.05 60.71 3jve n THR 954 Cb 0.37 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3jve n THR 954 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jve n ASN 955 N 1.28 3.43 -0.03 3.42 2.85 -1.26 -4.88 115.26 120.07 3jve n ASN 955 Ca 0.16 1.07 -0.11 0.00 -0.11 0.00 0.00 54.58 55.58 3jve n ASN 955 Cb 0.55 -1.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.04 3jve n ASN 955 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3jve h ARG 956 N 6.38 0.19 -0.22 1.20 2.43 -1.99 -0.66 114.38 121.70 3jve h ARG 956 Ca -0.44 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3jve h ARG 956 Cb 1.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3jve h ARG 956 CO 0.91 0.28 0.14 1.49 -1.51 0.00 0.00 179.97 181.29 3jve h GLU 957 N 0.05 0.30 -0.40 0.20 4.81 -2.00 -1.56 114.58 115.98 3jve h GLU 957 Ca 0.04 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3jve h GLU 957 Cb 0.16 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 3jve h GLU 957 CO -0.00 0.22 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.56 3jve h TYR 958 N 0.29 -0.06 -0.45 0.92 3.20 -1.91 -1.63 116.97 117.33 3jve h TYR 958 Ca 0.08 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3jve h TYR 958 Cb -0.00 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3jve h TYR 958 CO -0.05 -0.10 0.07 0.87 -1.64 0.00 0.00 178.16 177.31 3jve h LYS 959 N 0.09 0.69 -0.53 1.82 1.57 -0.79 -0.49 116.57 118.92 3jve h LYS 959 Ca 0.20 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3jve h LYS 959 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3jve h LYS 959 CO -0.34 0.66 -0.07 0.77 -0.57 0.00 0.00 179.45 179.89 3jve h SER 960 N 0.66 0.98 -0.30 0.86 0.02 -0.70 -2.42 113.55 112.65 3jve h SER 960 Ca 0.14 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.60 3jve h SER 960 Cb 0.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3jve h SER 960 CO 0.00 1.09 -0.41 0.58 -1.14 0.00 0.00 176.83 176.95 3jve h VAL 961 N 0.86 1.28 -0.70 2.27 2.07 -0.89 -2.97 116.25 118.16 3jve h VAL 961 Ca 0.14 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.08 3jve h VAL 961 Cb 0.63 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3jve h VAL 961 CO 0.04 0.53 0.47 0.50 0.02 0.00 0.00 177.57 179.12 3jve h LYS 962 N 0.69 0.91 0.00 1.57 3.64 -0.96 -0.73 116.57 121.69 3jve h LYS 962 Ca 0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3jve h LYS 962 Cb 0.99 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3jve h LYS 962 CO 0.10 0.60 -0.10 0.93 -2.27 0.00 0.00 179.45 178.71 3jve h GLU 963 N 0.94 0.00 -0.00 1.90 5.08 -1.27 -2.56 114.58 118.67 3jve h GLU 963 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3jve h GLU 963 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3jve h GLU 963 CO -0.06 0.10 -0.30 0.54 -1.00 0.00 0.00 179.01 178.29 3jve n ARG 964 N -4.03 0.12 -1.12 2.33 5.12 -0.29 -4.95 116.66 113.84 3jve n ARG 964 Ca -0.02 -0.05 -0.04 0.00 -1.93 0.00 0.00 57.85 55.80 3jve n ARG 964 Cb 0.19 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.97 3jve n ARG 964 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jve n GLY 965 N 1.47 0.66 3.89 -0.13 0.00 -0.96 -5.03 105.19 105.08 3jve n GLY 965 Ca 0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3jve n GLY 965 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jve s VAL 966 N -1.98 3.46 0.20 1.61 -7.23 -1.25 -4.99 120.40 110.22 3jve s VAL 966 Ca 0.00 0.32 -0.31 0.00 -1.81 0.00 0.00 61.98 60.18 3jve s VAL 966 Cb 0.00 -3.45 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 3jve s VAL 966 CO 0.00 -0.55 1.54 -1.00 -0.31 0.00 0.00 175.10 174.78 3jve s HIS 967 N -3.26 3.02 -0.22 2.82 3.76 -1.00 -4.87 115.29 115.54 3jve s HIS 967 Ca 0.57 0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 56.20 3jve s HIS 967 Cb -0.11 -3.92 0.02 0.00 1.11 0.00 0.00 32.58 29.68 3jve s HIS 967 CO 0.50 -3.28 -0.11 0.42 -0.85 0.00 0.00 174.74 171.42 3jve s ILE 968 N 0.75 2.65 0.05 0.60 1.01 -1.26 -0.49 121.20 124.50 3jve s ILE 968 Ca 0.67 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3jve s ILE 968 Cb -0.44 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 3jve s ILE 968 CO 0.36 0.37 -0.14 0.68 0.00 0.00 0.00 174.94 176.21 3jve s VAL 969 N 1.34 1.09 0.65 2.92 -7.23 -0.31 -4.23 120.40 114.62 3jve s VAL 969 Ca 0.03 -1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 58.93 3jve s VAL 969 Cb -0.15 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 3jve s VAL 969 CO -0.07 -0.08 1.09 -0.24 -0.31 0.00 0.00 175.10 175.48 3jve n SER 970 N 1.69 1.18 0.15 4.85 2.88 -0.45 -1.05 113.62 122.86 3jve n SER 970 Ca -0.19 0.78 0.19 0.00 -1.33 0.00 0.00 58.87 58.31 3jve n SER 970 Cb 0.55 -1.46 0.78 0.00 -0.75 0.00 0.00 64.21 63.33 3jve n SER 970 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3jve h GLU 971 N 0.31 0.00 0.00 -1.46 4.11 -1.91 -1.15 114.58 114.48 3jve h GLU 971 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 3jve h GLU 971 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 3jve h GLU 971 CO 0.51 0.00 -0.04 0.45 0.07 0.00 0.00 179.01 179.99 3jve h HIS 972 N 0.00 0.00 -0.06 2.06 3.86 -1.95 -1.38 115.15 117.68 3jve h HIS 972 Ca 0.14 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3jve h HIS 972 Cb 0.79 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 3jve h HIS 972 CO 0.00 0.04 0.03 2.35 0.86 0.00 0.00 177.93 181.22 3jve h TRP 973 N 0.00 0.08 -0.32 2.45 7.01 -1.54 -0.13 115.95 123.50 3jve h TRP 973 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3jve h TRP 973 Cb 0.17 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3jve h TRP 973 CO 0.00 0.11 0.10 -0.07 -2.79 0.00 0.00 178.44 175.79 3jve h LEU 974 N 0.02 0.47 -0.80 0.65 3.38 -1.44 -0.27 115.31 117.32 3jve h LEU 974 Ca 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3jve h LEU 974 Cb 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3jve h LEU 974 CO -0.00 0.56 0.36 -0.07 0.09 0.00 0.00 178.44 179.37 3jve h LEU 975 N 0.37 1.07 -0.27 1.67 3.38 -1.22 -0.97 115.31 119.34 3jve h LEU 975 Ca 0.10 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 3jve h LEU 975 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3jve h LEU 975 CO -0.00 0.92 -0.82 0.44 0.09 0.00 0.00 178.44 179.07 3jve h ASP 976 N 1.14 0.60 -0.95 -0.43 3.32 -0.93 -1.01 116.42 118.17 3jve h ASP 976 Ca 0.27 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.94 3jve h ASP 976 Cb 0.16 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3jve h ASP 976 CO -0.03 1.20 0.62 0.00 -1.72 0.00 0.00 179.24 179.31 3jve h ALA 978 N 1.46 0.35 -0.92 0.00 0.00 -0.94 0.15 119.26 119.36 3jve h ALA 978 Ca 0.39 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3jve h ALA 978 Cb 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3jve h ALA 978 CO -0.13 0.16 0.61 0.37 0.00 0.00 0.00 179.25 180.26 3jve h GLN 979 N 0.23 1.19 0.00 0.00 4.15 -0.81 -2.94 115.11 116.94 3jve h GLN 979 Ca 0.06 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3jve h GLN 979 Cb 0.55 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3jve h GLN 979 CO 0.03 0.79 -0.75 0.39 -1.93 0.00 0.00 178.83 177.35 3jve n GLU 980 N -4.41 0.29 -3.85 1.69 -0.58 -0.33 -4.96 120.64 108.49 3jve n GLU 980 Ca 0.11 0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.67 3jve n GLU 980 Cb 0.04 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 3jve n GLU 980 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jve s LYS 982 N -6.31 0.57 -0.81 0.00 1.02 -0.88 -4.82 119.74 108.50 3jve s LYS 982 Ca 0.04 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 3jve s LYS 982 Cb -0.02 0.23 0.06 0.00 -0.52 0.00 0.00 37.83 37.58 3jve s LYS 982 CO 0.85 -0.15 1.20 -1.58 -0.92 0.00 0.00 175.35 174.76 3jve s HIS 983 N -2.05 2.59 0.56 3.18 5.65 -1.26 -4.43 115.29 119.53 3jve s HIS 983 Ca -0.09 -0.60 -0.12 0.00 0.25 0.00 0.00 55.06 54.50 3jve s HIS 983 Cb -0.04 -4.49 -0.05 0.00 -1.18 0.00 0.00 32.58 26.82 3jve s HIS 983 CO -0.02 -1.83 0.97 -0.51 -0.65 0.00 0.00 174.74 172.71 3jve s LEU 984 N 4.58 3.44 0.10 8.88 1.43 -1.26 -4.99 118.68 130.85 3jve s LEU 984 Ca 0.33 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.51 3jve s LEU 984 Cb -0.08 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.67 3jve s LEU 984 CO 0.04 -0.72 1.67 -2.84 0.23 0.00 0.00 176.35 174.73 3jve s PRO 985 N -4.70 4.19 0.45 1.29 0.02 -1.26 -4.89 135.00 130.10 3jve s PRO 985 Ca 0.55 2.39 0.13 0.00 0.02 0.00 0.00 61.00 64.09 3jve s PRO 985 Cb -0.11 -3.51 1.02 0.00 0.02 0.00 0.00 34.50 31.93 3jve s PRO 985 CO 0.45 -0.73 2.02 0.93 -0.33 0.00 0.00 177.00 179.34 3jve h GLU 986 N 8.07 0.08 0.00 5.54 3.07 -1.96 -2.77 114.58 126.62 3jve h GLU 986 Ca -0.43 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3jve h GLU 986 Cb 1.20 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3jve h GLU 986 CO 0.93 0.18 -0.01 0.66 -1.40 0.00 0.00 179.01 179.38 3jve h SER 987 N 0.08 0.00 0.83 1.42 4.64 -1.96 -1.45 113.55 117.11 3jve h SER 987 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3jve h SER 987 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3jve h SER 987 CO 0.01 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 3jve n LEU 988 N -3.12 0.00 -3.04 5.97 4.77 -1.04 -4.29 117.00 116.25 3jve n LEU 988 Ca -0.01 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 3jve n LEU 988 Cb 0.19 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3jve n LEU 988 CO 0.24 -0.03 -0.06 -1.22 -1.33 0.00 0.00 177.39 175.00 3jve n TYR 989 N -1.44 1.92 -0.82 -1.77 4.01 -0.55 -4.99 117.16 113.52 3jve n TYR 989 Ca 0.08 -3.81 -0.28 0.00 -0.16 0.00 0.00 57.90 53.73 3jve n TYR 989 Cb 0.29 -0.43 0.22 0.00 -0.31 0.00 0.00 39.34 39.11 3jve n TYR 989 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3jve s PRO 990 N -2.93 -0.40 0.34 -0.72 0.04 -1.26 -1.34 135.00 128.73 3jve s PRO 990 Ca 0.43 0.67 0.25 0.00 0.04 0.00 0.00 61.00 62.40 3jve s PRO 990 Cb 0.33 -1.63 1.19 0.00 0.04 0.00 0.00 34.50 34.44 3jve s PRO 990 CO -0.10 -3.33 1.77 1.12 0.04 0.00 0.00 177.00 176.49 3jve h HIS 991 N -2.33 0.00 -0.07 0.56 2.07 -1.78 -0.72 115.15 112.87 3jve h HIS 991 Ca -0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 3jve h HIS 991 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 3jve h HIS 991 CO 0.27 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.38 3jve n THR 992 N -2.39 0.07 -1.82 6.12 -2.24 -1.26 -1.19 114.28 111.58 3jve n THR 992 Ca 0.00 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 3jve n THR 992 Cb 0.15 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 3jve n THR 992 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3jve s TYR 993 N -1.93 2.86 -0.08 4.78 5.04 -0.28 -4.98 117.35 122.76 3jve s TYR 993 Ca 0.35 0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3jve s TYR 993 Cb 0.20 -4.04 0.03 0.00 0.35 0.00 0.00 41.96 38.51 3jve s TYR 993 CO 0.31 -3.62 0.03 0.54 -1.34 0.00 0.00 175.55 171.47 3jve s ASN 994 N 0.71 1.68 0.00 4.32 4.22 -1.26 -5.01 114.94 119.60 3jve s ASN 994 Ca 0.66 -0.17 0.00 0.00 -2.14 0.00 0.00 52.86 51.22 3jve s ASN 994 Cb -0.47 -0.36 0.00 0.00 1.28 0.00 0.00 41.25 41.70 3jve s ASN 994 CO 0.42 -0.24 0.23 -2.65 -2.04 0.00 0.00 177.10 172.82