#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb5 s PHE 804 N 0.00 3.64 -0.05 0.66 5.36 -1.26 -5.04 117.98 121.28 1wb5 s PHE 804 Ca 0.00 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.62 1wb5 s PHE 804 Cb 0.00 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 1wb5 s PHE 804 CO 0.00 -0.36 -0.15 0.15 -1.46 0.00 0.00 175.22 173.40 1wb5 s LYS 805 N 0.36 1.76 0.30 10.12 -0.14 -1.26 -4.42 119.74 126.46 1wb5 s LYS 805 Ca 0.51 -0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 54.31 1wb5 s LYS 805 Cb -0.26 -1.48 -0.11 0.00 -1.68 0.00 0.00 37.83 34.31 1wb5 s LYS 805 CO 0.31 0.14 1.48 0.71 -0.76 0.00 0.00 175.35 177.22 1wb5 s TYR 806 N 0.34 2.86 0.20 3.18 2.02 -1.26 -5.04 117.35 119.64 1wb5 s TYR 806 Ca -0.09 1.04 0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1wb5 s TYR 806 Cb -0.13 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.48 1wb5 s TYR 806 CO 0.03 -2.89 0.23 -1.21 -1.57 0.00 0.00 175.55 170.14 1wb5 s GLU 807 N -0.95 3.13 0.27 -0.62 2.02 -1.26 -4.97 118.70 116.32 1wb5 s GLU 807 Ca 0.58 -0.83 0.21 0.00 0.02 0.00 0.00 54.97 54.95 1wb5 s GLU 807 Cb -0.44 -2.75 0.09 0.00 0.10 0.00 0.00 34.13 31.13 1wb5 s GLU 807 CO 0.50 0.46 1.24 0.66 0.02 0.00 0.00 175.26 178.14 1wb5 h SER 808 N 1.90 0.00 -1.79 -0.19 4.64 -1.96 -2.80 113.55 113.36 1wb5 h SER 808 Ca -0.49 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.33 1wb5 h SER 808 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.94 1wb5 h SER 808 CO 0.63 0.15 -1.06 0.00 -0.87 0.00 0.00 176.83 175.68 1wb5 n ALA 809 N -2.19 1.93 -1.72 5.18 0.00 -1.26 -1.65 120.51 120.80 1wb5 n ALA 809 Ca 0.00 -3.19 -0.42 0.00 0.00 0.00 0.00 53.44 49.83 1wb5 n ALA 809 Cb 0.61 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 1wb5 n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wb5 n VAL 810 N 1.12 2.05 -4.05 0.00 3.14 -1.26 -4.99 118.33 114.33 1wb5 n VAL 810 Ca 0.21 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.82 1wb5 n VAL 810 Cb 0.57 -1.69 -0.05 0.00 -1.06 0.00 0.00 33.84 31.62 1wb5 n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wb5 s GLN 811 N -1.97 3.00 0.28 1.45 -1.52 -1.26 -4.95 119.66 114.70 1wb5 s GLN 811 Ca 0.55 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.85 1wb5 s GLN 811 Cb -0.54 -2.71 -0.11 0.00 -0.22 0.00 0.00 33.01 29.43 1wb5 s GLN 811 CO 0.62 0.50 1.59 -0.47 -0.25 0.00 0.00 175.29 177.28 1wb5 s TYR 812 N -1.73 2.79 -0.18 0.91 5.04 -1.26 -5.01 117.35 117.91 1wb5 s TYR 812 Ca 0.32 0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 55.65 1wb5 s TYR 812 Cb -0.10 -4.05 0.09 0.00 0.35 0.00 0.00 41.96 38.24 1wb5 s TYR 812 CO 0.24 -3.57 0.37 0.50 -1.34 0.00 0.00 175.55 171.75 1wb5 s ARG 813 N -0.33 0.28 0.64 4.97 3.52 -1.26 -5.03 118.95 121.73 1wb5 s ARG 813 Ca 0.64 0.91 -0.17 0.00 -0.13 0.00 0.00 55.73 56.98 1wb5 s ARG 813 Cb -0.47 0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.06 1wb5 s ARG 813 CO 0.46 -0.30 1.17 -1.25 -0.81 0.00 0.00 175.30 174.57 1wb5 s PRO 814 N 2.56 2.78 0.62 5.12 0.04 -1.26 -4.73 135.00 140.12 1wb5 s PRO 814 Ca 0.00 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 1wb5 s PRO 814 Cb -0.12 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1wb5 s PRO 814 CO -0.12 -1.32 1.30 0.00 0.04 0.00 0.00 177.00 176.91 1wb5 s ALA 815 N -1.94 2.49 0.65 8.56 0.00 -1.26 -4.96 121.76 125.31 1wb5 s ALA 815 Ca 0.73 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 1wb5 s ALA 815 Cb -0.26 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1wb5 s ALA 815 CO 0.38 -1.51 0.78 -2.30 0.00 0.00 0.00 175.76 173.10 1wb5 n PRO 816 N -1.68 0.59 -0.20 0.00 -0.02 -1.26 -4.86 135.00 127.57 1wb5 n PRO 816 Ca 0.14 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 1wb5 n PRO 816 Cb 0.47 -2.01 0.42 0.00 -0.02 0.00 0.00 33.50 32.36 1wb5 n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wb5 h ASP 817 N 0.06 0.56 0.12 2.55 3.32 -2.03 0.59 116.42 121.59 1wb5 h ASP 817 Ca -0.47 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wb5 h ASP 817 Cb 1.36 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1wb5 h ASP 817 CO 0.47 0.31 -0.02 0.77 -1.72 0.00 0.00 179.24 179.05 1wb5 h SER 818 N 0.61 0.00 0.84 6.45 4.64 -1.97 -2.14 113.55 121.98 1wb5 h SER 818 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1wb5 h SER 818 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1wb5 h SER 818 CO -0.14 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.62 1wb5 n TYR 819 N -3.52 0.71 0.94 4.77 4.02 0.20 -2.49 117.16 121.80 1wb5 n TYR 819 Ca -0.03 0.26 0.13 0.00 -0.01 0.00 0.00 57.90 58.26 1wb5 n TYR 819 Cb 0.12 -0.92 0.47 0.00 -0.02 0.00 0.00 39.34 38.99 1wb5 n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wb5 n LEU 820 N -2.13 0.25 -4.93 7.72 4.77 -0.80 -2.73 117.00 119.15 1wb5 n LEU 820 Ca 0.03 0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 56.10 1wb5 n LEU 820 Cb 0.26 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1wb5 n LEU 820 CO 0.21 0.02 0.10 0.20 -1.33 0.00 0.00 177.39 176.58 1wb5 s ASN 821 N -3.20 6.36 0.33 -1.43 0.01 -1.04 -4.91 114.94 111.05 1wb5 s ASN 821 Ca 0.12 0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 52.42 1wb5 s ASN 821 Cb 0.18 -2.02 -0.12 0.00 0.41 0.00 0.00 41.25 39.69 1wb5 s ASN 821 CO 0.59 -0.15 1.36 -2.65 -1.51 0.00 0.00 177.10 174.74 1wb5 n PRO 822 N -1.13 2.24 -3.93 -0.60 -0.02 -1.26 -4.85 135.00 125.45 1wb5 n PRO 822 Ca -0.05 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.86 1wb5 n PRO 822 Cb 0.55 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1wb5 n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wb5 h PRO 824 N 5.27 0.00 -3.37 0.00 0.13 -1.98 -3.23 132.00 128.82 1wb5 h PRO 824 Ca -0.52 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.86 1wb5 h PRO 824 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1wb5 h PRO 824 CO 0.60 0.10 2.22 1.04 -0.23 0.00 0.00 178.00 181.73 1wb5 n GLN 825 N -3.46 3.73 -3.26 0.86 6.02 -1.26 -4.97 117.38 115.04 1wb5 n GLN 825 Ca -0.01 -3.42 -0.38 0.00 -0.01 0.00 0.00 57.00 53.18 1wb5 n GLN 825 Cb 0.25 -2.90 -0.06 0.00 1.02 0.00 0.00 30.24 28.55 1wb5 n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wb5 s ALA 826 N 0.37 3.48 0.45 -1.58 0.00 -1.22 -4.62 121.76 118.65 1wb5 s ALA 826 Ca 0.43 -0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 1wb5 s ALA 826 Cb 0.12 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1wb5 s ALA 826 CO -0.02 -0.15 1.31 0.20 0.00 0.00 0.00 175.76 177.10 1wb5 s GLY 827 N 0.81 2.89 0.19 0.00 0.00 -1.26 -4.52 107.32 105.43 1wb5 s GLY 827 Ca 0.27 1.24 -0.30 0.00 0.00 0.00 0.00 44.72 45.92 1wb5 s GLY 827 CO 0.11 1.79 1.10 -1.60 0.00 0.00 0.00 173.10 174.49 1wb5 s ARG 828 N -2.50 4.60 -0.18 2.90 3.52 -0.84 -4.82 118.95 121.64 1wb5 s ARG 828 Ca 0.62 1.72 -0.02 0.00 -0.13 0.00 0.00 55.73 57.92 1wb5 s ARG 828 Cb -0.38 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1wb5 s ARG 828 CO 0.47 0.10 -0.09 0.42 -0.81 0.00 0.00 175.30 175.39 1wb5 s ILE 829 N -0.34 3.10 -0.18 4.11 1.01 -1.26 -0.64 121.20 127.00 1wb5 s ILE 829 Ca 0.49 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1wb5 s ILE 829 Cb -0.30 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1wb5 s ILE 829 CO 0.35 0.47 -0.12 -0.69 0.00 0.00 0.00 174.94 174.96 1wb5 s VAL 830 N 1.05 2.86 -0.11 2.92 1.01 0.36 -4.93 120.40 123.56 1wb5 s VAL 830 Ca -0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1wb5 s VAL 830 Cb -0.15 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1wb5 s VAL 830 CO -0.01 0.49 1.06 -0.75 0.00 0.00 0.00 175.10 175.88 1wb5 s LYS 831 N 1.11 4.38 0.11 2.72 2.47 -1.26 -0.94 119.74 128.32 1wb5 s LYS 831 Ca 0.00 1.46 0.09 0.00 -1.56 0.00 0.00 55.97 55.97 1wb5 s LYS 831 Cb -0.14 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 1wb5 s LYS 831 CO -0.03 -0.39 -0.24 -1.21 0.16 0.00 0.00 175.35 173.64 1wb5 s GLU 832 N 2.24 1.29 -0.04 4.03 0.41 -0.26 -5.00 118.70 121.37 1wb5 s GLU 832 Ca 0.50 -1.23 0.03 0.00 -0.41 0.00 0.00 54.97 53.86 1wb5 s GLU 832 Cb -0.19 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1wb5 s GLU 832 CO 0.17 0.39 -0.13 0.99 -0.49 0.00 0.00 175.26 176.19 1wb5 s THR 833 N -1.08 1.13 0.11 3.63 2.01 -1.26 -1.26 115.64 118.92 1wb5 s THR 833 Ca 0.10 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1wb5 s THR 833 Cb -0.10 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1wb5 s THR 833 CO 0.05 0.34 0.09 -0.72 -0.69 0.00 0.00 174.62 173.68 1wb5 s TYR 834 N 0.13 0.63 -0.12 4.92 1.13 -0.32 -5.00 117.35 118.73 1wb5 s TYR 834 Ca -0.04 -1.05 0.03 0.00 -1.41 0.00 0.00 57.07 54.60 1wb5 s TYR 834 Cb -0.10 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 1wb5 s TYR 834 CO 0.01 -0.52 -0.22 0.99 -2.51 0.00 0.00 175.55 173.30 1wb5 s THR 835 N -3.99 1.97 0.00 -3.49 2.01 -1.26 -1.13 115.64 109.75 1wb5 s THR 835 Ca 0.17 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1wb5 s THR 835 Cb 0.07 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1wb5 s THR 835 CO -0.02 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1wb5 n GLY 836 N 3.92 5.41 0.21 4.40 0.00 -0.71 -4.96 105.19 113.45 1wb5 n GLY 836 Ca -0.20 -1.37 0.15 0.00 0.00 0.00 0.00 46.02 44.60 1wb5 n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1wb5 h ILE 837 N 0.00 0.00 -0.46 -0.61 3.07 -1.97 -1.26 117.51 116.27 1wb5 h ILE 837 Ca 0.00 -0.28 -0.16 0.00 1.55 0.00 0.00 64.86 65.97 1wb5 h ILE 837 Cb 0.00 1.11 -0.10 0.00 -0.27 0.00 0.00 36.82 37.56 1wb5 h ILE 837 CO 0.00 0.00 0.09 0.59 -1.05 0.00 0.00 178.15 177.78 1wb5 n ASN 838 N -2.64 3.52 0.00 2.16 3.02 -1.26 -4.83 115.26 115.23 1wb5 n ASN 838 Ca 0.01 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1wb5 n ASN 838 Cb 0.22 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1wb5 n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb5 n GLY 839 N -0.74 -1.64 3.68 7.41 0.00 -0.48 -3.42 105.19 109.99 1wb5 n GLY 839 Ca 0.34 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1wb5 n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb5 s THR 840 N 0.00 4.88 0.20 2.61 2.01 -1.26 -1.74 115.64 122.34 1wb5 s THR 840 Ca 0.00 1.73 -0.04 0.00 0.31 0.00 0.00 61.69 63.69 1wb5 s THR 840 Cb 0.00 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1wb5 s THR 840 CO 0.00 0.07 0.20 -0.54 -0.69 0.00 0.00 174.62 173.66 1wb5 s LYS 841 N 1.82 1.22 0.26 4.92 1.02 -0.29 -4.96 119.74 123.73 1wb5 s LYS 841 Ca 0.41 -1.48 0.06 0.00 0.02 0.00 0.00 55.97 54.99 1wb5 s LYS 841 Cb -0.17 0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 1wb5 s LYS 841 CO 0.16 -0.42 -0.07 -1.12 -0.92 0.00 0.00 175.35 172.98 1wb5 s SER 842 N -3.10 2.56 0.20 2.83 0.01 -1.26 -1.17 113.70 113.78 1wb5 s SER 842 Ca 0.31 -1.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.27 1wb5 s SER 842 Cb 0.05 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.16 1wb5 s SER 842 CO 0.09 -0.34 0.44 -1.48 0.41 0.00 0.00 173.24 172.36 1wb5 s LEU 843 N -3.39 0.41 -0.02 2.44 0.05 -0.39 -4.31 118.68 113.47 1wb5 s LEU 843 Ca 0.28 -0.71 0.04 0.00 0.05 0.00 0.00 54.13 53.78 1wb5 s LEU 843 Cb 0.03 1.77 -0.03 0.00 -2.05 0.00 0.00 46.19 45.91 1wb5 s LEU 843 CO 0.10 -1.03 -0.11 0.20 -0.55 0.00 0.00 176.35 174.96 1wb5 s ASN 844 N -2.94 4.27 -0.21 1.48 0.01 -0.79 -1.10 114.94 115.66 1wb5 s ASN 844 Ca 0.15 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1wb5 s ASN 844 Cb 0.00 -0.93 0.02 0.00 0.41 0.00 0.00 41.25 40.76 1wb5 s ASN 844 CO 0.01 0.31 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.09 1wb5 s VAL 845 N -0.87 2.49 -0.24 1.60 1.01 -0.12 -1.00 120.40 123.27 1wb5 s VAL 845 Ca 0.14 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1wb5 s VAL 845 Cb -0.11 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wb5 s VAL 845 CO 0.04 0.37 0.63 -0.47 0.00 0.00 0.00 175.10 175.67 1wb5 s TYR 846 N 1.31 3.31 -0.10 5.22 6.14 0.54 -0.48 117.35 133.28 1wb5 s TYR 846 Ca 0.02 0.85 -0.03 0.00 0.64 0.00 0.00 57.07 58.55 1wb5 s TYR 846 Cb -0.15 -2.82 -0.04 0.00 0.42 0.00 0.00 41.96 39.37 1wb5 s TYR 846 CO -0.08 -0.27 0.04 -0.51 0.64 0.00 0.00 175.55 175.36 1wb5 s LEU 847 N 2.30 3.77 0.68 6.97 1.43 0.19 -1.66 118.68 132.37 1wb5 s LEU 847 Ca 0.27 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1wb5 s LEU 847 Cb -0.16 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1wb5 s LEU 847 CO 0.09 0.37 1.13 -2.16 0.23 0.00 0.00 176.35 176.01 1wb5 s PRO 848 N -0.81 2.61 0.27 1.29 0.04 -1.25 -1.98 135.00 135.17 1wb5 s PRO 848 Ca 0.13 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 1wb5 s PRO 848 Cb -0.12 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 1wb5 s PRO 848 CO 0.03 -1.41 1.59 0.98 0.04 0.00 0.00 177.00 178.22 1wb5 n TYR 849 N -2.55 2.72 -0.92 0.56 9.36 -1.26 -1.25 117.16 123.82 1wb5 n TYR 849 Ca 0.11 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.58 1wb5 n TYR 849 Cb 0.52 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1wb5 n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wb5 n GLY 850 N 2.46 0.56 3.62 2.98 0.00 -1.26 -4.98 105.19 108.56 1wb5 n GLY 850 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.56 1wb5 n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wb5 n TYR 851 N -2.88 1.53 -4.00 1.61 9.36 -0.38 -4.94 117.16 117.46 1wb5 n TYR 851 Ca 0.00 0.73 -0.31 0.00 3.32 0.00 0.00 57.90 61.64 1wb5 n TYR 851 Cb 0.00 -2.32 -0.16 0.00 -0.63 0.00 0.00 39.34 36.24 1wb5 n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wb5 s ASP 852 N 1.46 3.75 0.28 2.98 -1.08 -1.26 -5.01 116.67 117.79 1wb5 s ASP 852 Ca 0.91 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 52.03 1wb5 s ASP 852 Cb -1.09 -1.30 0.88 0.00 -1.46 0.00 0.00 42.92 39.94 1wb5 s ASP 852 CO 0.57 -0.17 1.45 -2.65 0.52 0.00 0.00 175.17 174.89 1wb5 n PRO 853 N 4.62 0.11 0.03 4.34 -0.02 -1.26 -1.07 135.00 141.74 1wb5 n PRO 853 Ca -0.14 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1wb5 n PRO 853 Cb 0.45 -1.95 0.39 0.00 -0.02 0.00 0.00 33.50 32.37 1wb5 n PRO 853 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wb5 n ASN 854 N -2.08 0.41 -4.95 2.55 3.02 -1.26 -4.82 115.26 108.12 1wb5 n ASN 854 Ca -0.01 0.22 -0.23 0.00 -0.03 0.00 0.00 54.58 54.53 1wb5 n ASN 854 Cb 0.13 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1wb5 n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wb5 s LYS 855 N -3.05 3.46 -0.17 3.52 1.02 -0.24 -5.10 119.74 119.19 1wb5 s LYS 855 Ca 0.11 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.49 1wb5 s LYS 855 Cb 0.16 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1wb5 s LYS 855 CO 0.63 0.33 0.01 0.15 -0.92 0.00 0.00 175.35 175.54 1wb5 s LYS 856 N -4.01 3.79 0.00 1.68 1.02 -1.26 -4.72 119.74 116.23 1wb5 s LYS 856 Ca 0.37 -0.45 0.06 0.00 0.02 0.00 0.00 55.97 55.96 1wb5 s LYS 856 Cb -0.09 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1wb5 s LYS 856 CO 0.32 0.23 -0.17 0.71 -0.92 0.00 0.00 175.35 175.52 1wb5 s TYR 857 N 0.42 2.61 0.68 3.18 2.02 -0.37 -4.87 117.35 121.03 1wb5 s TYR 857 Ca -0.01 -0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.30 1wb5 s TYR 857 Cb -0.14 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1wb5 s TYR 857 CO 0.02 0.21 0.88 0.09 -1.57 0.00 0.00 175.55 175.18 1wb5 n ASN 858 N 1.90 0.24 -3.91 2.29 5.03 -1.26 -3.64 115.26 115.91 1wb5 n ASN 858 Ca -0.16 0.70 -0.18 0.00 0.87 0.00 0.00 54.58 55.81 1wb5 n ASN 858 Cb 0.52 -1.36 -0.15 0.00 -1.02 0.00 0.00 39.78 37.76 1wb5 n ASN 858 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1wb5 s ILE 859 N -1.74 0.41 -0.15 2.41 2.07 -0.79 -1.34 121.20 122.07 1wb5 s ILE 859 Ca 0.73 -0.12 -0.00 0.00 -1.41 0.00 0.00 60.65 59.85 1wb5 s ILE 859 Cb -0.37 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 41.84 1wb5 s ILE 859 CO 0.50 0.16 -0.08 0.12 -1.91 0.00 0.00 174.94 173.74 1wb5 s PHE 860 N 0.50 1.75 -0.14 3.50 5.36 -0.18 -1.01 117.98 127.76 1wb5 s PHE 860 Ca -0.06 -1.03 -0.16 0.00 -0.96 0.00 0.00 56.93 54.73 1wb5 s PHE 860 Cb -0.09 -1.35 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1wb5 s PHE 860 CO -0.00 -0.60 0.37 0.71 -1.46 0.00 0.00 175.22 174.24 1wb5 s TYR 861 N 1.62 3.49 -0.09 10.12 1.51 -0.29 -0.95 117.35 132.76 1wb5 s TYR 861 Ca 0.02 0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1wb5 s TYR 861 Cb -0.14 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1wb5 s TYR 861 CO -0.08 0.22 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.38 1wb5 s LEU 862 N 0.49 0.81 -0.16 -1.29 2.96 0.37 -0.78 118.68 121.08 1wb5 s LEU 862 Ca 0.20 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1wb5 s LEU 862 Cb -0.14 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1wb5 s LEU 862 CO 0.07 -0.17 0.11 -0.32 -1.32 0.00 0.00 176.35 174.71 1wb5 s MET 863 N 1.88 3.79 1.17 1.98 -2.45 0.19 -4.02 119.30 121.84 1wb5 s MET 863 Ca 0.05 -0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.09 1wb5 s MET 863 Cb -0.12 -3.24 0.27 0.00 1.25 0.00 0.00 34.83 32.98 1wb5 s MET 863 CO -0.06 0.49 1.07 -3.38 1.05 0.00 0.00 175.02 174.19 1wb5 s HIS 864 N -0.20 0.95 0.36 4.11 -3.43 -1.26 -1.67 115.29 114.15 1wb5 s HIS 864 Ca 0.10 0.72 0.05 0.00 -0.80 0.00 0.00 55.06 55.12 1wb5 s HIS 864 Cb -0.12 -3.29 0.06 0.00 -1.43 0.00 0.00 32.58 27.81 1wb5 s HIS 864 CO 0.01 -3.73 0.50 0.41 -2.00 0.00 0.00 174.74 169.93 1wb5 n GLY 865 N -0.52 1.69 3.74 -1.38 0.00 -1.22 -2.61 105.19 104.89 1wb5 n GLY 865 Ca 0.09 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1wb5 n GLY 865 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb5 n GLY 866 N 0.73 0.95 3.11 -0.02 0.00 -1.26 -2.15 105.19 106.54 1wb5 n GLY 866 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wb5 n GLY 866 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb5 n GLY 867 N 0.81 0.75 2.41 -0.02 0.00 -1.26 -5.00 105.19 102.87 1wb5 n GLY 867 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1wb5 n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wb5 n GLU 868 N -2.02 0.84 -3.63 1.61 1.02 -0.92 -5.15 120.64 112.39 1wb5 n GLU 868 Ca 0.00 -2.03 -0.12 0.00 -0.02 0.00 0.00 57.16 54.99 1wb5 n GLU 868 Cb 0.01 -0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1wb5 n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1wb5 n ASN 869 N -2.31 -1.26 0.09 1.62 0.23 -1.26 -4.92 115.26 107.45 1wb5 n ASN 869 Ca 0.06 -2.62 0.07 0.00 -0.53 0.00 0.00 54.58 51.56 1wb5 n ASN 869 Cb 0.38 2.31 0.36 0.00 -2.08 0.00 0.00 39.78 40.75 1wb5 n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1wb5 n GLU 870 N -0.50 0.09 0.00 -3.83 0.00 -1.26 -1.91 120.64 113.23 1wb5 n GLU 870 Ca -0.00 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.78 1wb5 n GLU 870 Cb 0.51 -1.75 -0.06 0.00 0.00 0.00 0.00 31.44 30.14 1wb5 n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wb5 n ASN 871 N -1.94 0.80 -0.06 -1.84 3.02 -1.26 -4.37 115.26 109.61 1wb5 n ASN 871 Ca 0.00 -0.72 -0.10 0.00 -0.03 0.00 0.00 54.58 53.72 1wb5 n ASN 871 Cb 0.07 0.95 -0.04 0.00 -0.61 0.00 0.00 39.78 40.16 1wb5 n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1wb5 h THR 872 N 0.00 1.14 -0.02 3.41 2.02 -1.79 -2.23 112.91 115.44 1wb5 h THR 872 Ca 0.00 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1wb5 h THR 872 Cb 0.57 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1wb5 h THR 872 CO 0.00 0.13 -0.31 0.40 0.37 0.00 0.00 175.52 176.12 1wb5 h ILE 873 N 0.23 1.23 -0.70 3.11 2.04 -1.82 -1.51 117.51 120.08 1wb5 h ILE 873 Ca 0.08 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1wb5 h ILE 873 Cb 0.12 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1wb5 h ILE 873 CO -0.01 0.31 0.00 0.49 0.00 0.00 0.00 178.15 178.94 1wb5 n PHE 874 N -4.16 1.12 -2.08 1.37 3.72 -1.17 -2.24 117.46 114.01 1wb5 n PHE 874 Ca -0.02 -0.53 -0.27 0.00 -0.05 0.00 0.00 57.45 56.57 1wb5 n PHE 874 Cb 0.36 -0.07 0.11 0.00 -0.94 0.00 0.00 39.48 38.93 1wb5 n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wb5 s SER 875 N -0.98 4.27 0.40 4.37 1.04 -0.57 -4.67 113.70 117.56 1wb5 s SER 875 Ca 0.49 0.43 0.28 0.00 0.48 0.00 0.00 55.95 57.63 1wb5 s SER 875 Cb 0.27 -0.86 1.43 0.00 0.10 0.00 0.00 66.02 66.96 1wb5 s SER 875 CO 0.31 -1.99 1.85 0.78 0.98 0.00 0.00 173.24 175.16 1wb5 h ASN 876 N -0.98 0.00 1.01 7.02 -0.26 -1.91 0.38 115.58 120.85 1wb5 h ASN 876 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1wb5 h ASN 876 Cb 1.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1wb5 h ASN 876 CO 0.55 0.00 -0.01 0.47 -1.06 0.00 0.00 177.43 177.37 1wb5 n ASP 877 N -2.49 0.06 0.02 5.81 8.00 -1.26 -4.53 116.55 122.15 1wb5 n ASP 877 Ca -0.01 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1wb5 n ASP 877 Cb 0.10 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1wb5 n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wb5 n VAL 878 N -1.54 0.09 -2.90 2.53 0.31 -0.78 -4.70 118.33 111.33 1wb5 n VAL 878 Ca 0.07 0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.24 1wb5 n VAL 878 Cb 0.34 -0.84 0.03 0.00 -0.91 0.00 0.00 33.84 32.46 1wb5 n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wb5 n LYS 879 N -2.84 -4.15 0.12 5.55 5.02 0.06 -4.90 118.16 117.02 1wb5 n LYS 879 Ca 0.00 0.75 0.06 0.00 -2.02 0.00 0.00 58.31 57.10 1wb5 n LYS 879 Cb 0.13 -5.28 0.53 0.00 -0.02 0.00 0.00 35.03 30.39 1wb5 n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wb5 h LEU 880 N -1.19 0.24 -1.94 -0.35 5.85 -1.73 -1.66 115.31 114.54 1wb5 h LEU 880 Ca -0.44 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1wb5 h LEU 880 Cb 1.30 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1wb5 h LEU 880 CO 0.47 0.18 0.08 0.06 -0.34 0.00 0.00 178.44 178.89 1wb5 h GLN 881 N 0.29 0.08 -0.38 1.25 -0.00 -1.91 -0.70 115.11 113.75 1wb5 h GLN 881 Ca 0.08 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.60 1wb5 h GLN 881 Cb -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1wb5 h GLN 881 CO -0.02 0.05 -0.25 -0.91 -0.00 0.00 0.00 178.83 177.71 1wb5 h ASN 882 N 0.08 0.88 -0.10 0.06 2.35 -1.55 0.61 115.58 117.92 1wb5 h ASN 882 Ca 0.05 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1wb5 h ASN 882 Cb 0.10 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1wb5 h ASN 882 CO -0.01 1.12 0.05 0.40 -1.65 0.00 0.00 177.43 177.34 1wb5 h ILE 883 N 0.64 1.11 -0.36 2.81 2.04 -1.16 -1.04 117.51 121.55 1wb5 h ILE 883 Ca 0.08 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1wb5 h ILE 883 Cb 0.82 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1wb5 h ILE 883 CO 0.07 0.10 0.12 -0.07 0.00 0.00 0.00 178.15 178.37 1wb5 h LEU 884 N 0.04 0.13 -0.19 1.44 3.38 -1.05 -0.36 115.31 118.70 1wb5 h LEU 884 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1wb5 h LEU 884 Cb 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1wb5 h LEU 884 CO -0.00 0.11 0.10 0.44 0.09 0.00 0.00 178.44 179.17 1wb5 h ASP 885 N 0.27 0.24 -0.13 -0.43 3.32 -0.70 -0.52 116.42 118.48 1wb5 h ASP 885 Ca 0.16 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1wb5 h ASP 885 Cb 0.14 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1wb5 h ASP 885 CO -0.17 0.28 -0.31 0.45 -1.72 0.00 0.00 179.24 177.77 1wb5 h HIS 886 N 0.19 0.70 -0.45 4.55 3.86 -1.06 -1.14 115.15 121.80 1wb5 h HIS 886 Ca 0.07 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 1wb5 h HIS 886 Cb 0.10 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1wb5 h HIS 886 CO -0.03 0.85 -0.18 0.00 0.86 0.00 0.00 177.93 179.43 1wb5 h ALA 887 N 1.14 0.63 -0.30 2.45 0.00 -0.82 -1.18 119.26 121.19 1wb5 h ALA 887 Ca 0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wb5 h ALA 887 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wb5 h ALA 887 CO 0.06 0.59 -0.08 0.82 0.00 0.00 0.00 179.25 180.64 1wb5 h ILE 888 N 0.76 1.28 -0.68 0.00 2.04 -1.01 -0.61 117.51 119.30 1wb5 h ILE 888 Ca 0.11 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1wb5 h ILE 888 Cb 0.74 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1wb5 h ILE 888 CO 0.06 0.36 0.37 -0.03 0.00 0.00 0.00 178.15 178.91 1wb5 h MET 889 N 0.35 0.94 -0.00 2.37 4.05 -1.08 -2.35 114.93 119.20 1wb5 h MET 889 Ca 0.07 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1wb5 h MET 889 Cb 0.57 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1wb5 h MET 889 CO 0.03 0.69 -0.10 0.09 0.23 0.00 0.00 176.91 177.85 1wb5 n ASN 890 N -4.37 0.34 0.00 1.39 5.03 -0.46 -4.92 115.26 112.27 1wb5 n ASN 890 Ca 0.07 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.13 1wb5 n ASN 890 Cb 0.10 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1wb5 n ASN 890 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wb5 n GLY 891 N 1.31 0.58 0.15 7.41 0.00 -0.86 -4.91 105.19 108.86 1wb5 n GLY 891 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1wb5 n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wb5 h GLU 892 N 1.18 0.00 -3.76 1.61 5.08 -1.38 -3.40 114.58 113.92 1wb5 h GLU 892 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1wb5 h GLU 892 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1wb5 h GLU 892 CO 0.00 0.48 -0.76 -1.17 -1.00 0.00 0.00 179.01 176.56 1wb5 s LEU 893 N -6.48 0.97 0.43 1.33 2.96 -1.14 -4.72 118.68 112.03 1wb5 s LEU 893 Ca 0.04 -0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.65 1wb5 s LEU 893 Cb 0.08 -0.33 -0.08 0.00 0.50 0.00 0.00 46.19 46.36 1wb5 s LEU 893 CO 0.74 -0.13 1.22 -1.61 -1.32 0.00 0.00 176.35 175.26 1wb5 s GLU 894 N 1.34 3.87 0.38 1.98 2.02 -1.26 -4.15 118.70 122.88 1wb5 s GLU 894 Ca -0.05 1.95 -0.27 0.00 0.02 0.00 0.00 54.97 56.61 1wb5 s GLU 894 Cb -0.13 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 1wb5 s GLU 894 CO -0.02 -0.50 1.38 -0.35 0.02 0.00 0.00 175.26 175.79 1wb5 n PRO 895 N -0.15 2.34 -3.72 0.39 -0.04 -1.26 -4.99 135.00 127.57 1wb5 n PRO 895 Ca 0.05 0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 64.24 1wb5 n PRO 895 Cb 0.46 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 1wb5 n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wb5 s LEU 896 N -1.75 0.11 -0.04 1.53 2.34 -1.26 -4.53 118.68 115.08 1wb5 s LEU 896 Ca 0.56 -0.45 -0.18 0.00 0.06 0.00 0.00 54.13 54.12 1wb5 s LEU 896 Cb -0.51 2.10 -0.05 0.00 -0.56 0.00 0.00 46.19 47.17 1wb5 s LEU 896 CO 0.62 -1.02 0.51 -0.63 -1.06 0.00 0.00 176.35 174.77 1wb5 s ILE 897 N -3.86 5.03 -0.12 1.48 1.01 -0.45 -3.83 121.20 120.46 1wb5 s ILE 897 Ca 0.08 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1wb5 s ILE 897 Cb -0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1wb5 s ILE 897 CO -0.04 0.42 -0.19 -0.69 0.00 0.00 0.00 174.94 174.43 1wb5 s VAL 898 N -0.11 1.82 -0.09 2.92 1.01 -0.67 -1.01 120.40 124.27 1wb5 s VAL 898 Ca 0.28 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1wb5 s VAL 898 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1wb5 s VAL 898 CO 0.14 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.91 1wb5 s VAL 899 N 0.79 3.00 -0.43 2.92 1.01 -0.12 -0.34 120.40 127.23 1wb5 s VAL 899 Ca -0.09 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1wb5 s VAL 899 Cb -0.16 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1wb5 s VAL 899 CO 0.00 0.55 0.17 0.42 0.00 0.00 0.00 175.10 176.24 1wb5 s THR 900 N -0.10 2.67 0.00 3.92 -4.23 -0.17 -0.47 115.64 117.25 1wb5 s THR 900 Ca -0.02 -2.61 0.00 0.00 -1.18 0.00 0.00 61.69 57.88 1wb5 s THR 900 Cb -0.14 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1wb5 s THR 900 CO 0.04 -0.69 0.00 -0.81 -0.54 0.00 0.00 174.62 172.61 1wb5 n PRO 901 N 3.94 1.04 -3.94 3.99 -0.04 -1.26 -1.89 135.00 136.84 1wb5 n PRO 901 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1wb5 n PRO 901 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 1wb5 n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wb5 s THR 902 N 0.28 0.08 -2.19 0.52 -1.32 -1.26 -4.13 115.64 107.62 1wb5 s THR 902 Ca 0.00 -0.68 0.18 0.00 -1.21 0.00 0.00 61.69 59.98 1wb5 s THR 902 Cb 0.00 -0.24 0.43 0.00 -1.51 0.00 0.00 72.50 71.18 1wb5 s THR 902 CO 0.00 -0.37 1.43 2.22 -2.21 0.00 0.00 174.62 175.69 1wb5 n PHE 903 N 1.90 0.43 -1.91 9.09 1.16 -1.26 -4.92 117.46 121.95 1wb5 n PHE 903 Ca -0.21 -0.21 -0.30 0.00 -1.87 0.00 0.00 57.45 54.85 1wb5 n PHE 903 Cb 0.56 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.47 1wb5 n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wb5 s ASN 904 N -1.31 5.58 0.00 5.98 0.01 -1.26 -3.32 114.94 120.61 1wb5 s ASN 904 Ca 0.32 1.16 0.00 0.00 -0.71 0.00 0.00 52.86 53.63 1wb5 s ASN 904 Cb 0.18 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.83 1wb5 s ASN 904 CO 0.25 -1.25 0.00 0.61 -1.51 0.00 0.00 177.10 175.19 1wb5 n GLY 905 N -2.95 1.58 7.00 0.66 0.00 -1.26 -4.75 105.19 105.47 1wb5 n GLY 905 Ca 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1wb5 n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb5 n GLY 906 N 1.67 3.12 0.50 -0.02 0.00 -1.22 -0.86 105.19 108.38 1wb5 n GLY 906 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1wb5 n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb5 n ASN 907 N 3.09 1.49 -4.77 1.61 4.13 -1.26 -4.97 115.26 114.57 1wb5 n ASN 907 Ca 0.00 -1.74 -0.38 0.00 1.68 0.00 0.00 54.58 54.15 1wb5 n ASN 907 Cb 0.00 -0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.08 1wb5 n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb5 s THR 909 N -1.48 0.16 0.39 0.00 -4.23 -1.21 -4.54 115.64 104.73 1wb5 s THR 909 Ca 0.52 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1wb5 s THR 909 Cb -0.25 -2.33 0.32 0.00 1.34 0.00 0.00 72.50 71.58 1wb5 s THR 909 CO 0.31 -0.19 1.93 0.00 -0.54 0.00 0.00 174.62 176.12 1wb5 h ALA 910 N 2.68 1.90 0.03 3.99 0.00 -1.90 -1.45 119.26 124.51 1wb5 h ALA 910 Ca -0.36 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.30 1wb5 h ALA 910 Cb 1.23 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wb5 h ALA 910 CO 0.57 -0.08 -1.03 0.37 0.00 0.00 0.00 179.25 179.09 1wb5 h GLN 911 N 0.59 0.43 -0.02 0.00 4.15 -1.91 -3.35 115.11 115.00 1wb5 h GLN 911 Ca 0.36 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1wb5 h GLN 911 Cb 0.59 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1wb5 h GLN 911 CO -0.13 1.17 -0.20 0.27 -1.93 0.00 0.00 178.83 178.00 1wb5 n ASN 912 N -3.72 2.53 -0.03 -0.69 0.23 -1.00 -4.56 115.26 108.01 1wb5 n ASN 912 Ca -0.08 -1.76 0.16 0.00 -0.53 0.00 0.00 54.58 52.37 1wb5 n ASN 912 Cb 0.88 0.21 0.60 0.00 -2.08 0.00 0.00 39.78 39.39 1wb5 n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1wb5 h PHE 913 N 3.61 0.21 -0.87 -2.53 3.57 -1.40 -2.28 116.94 117.24 1wb5 h PHE 913 Ca 0.00 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.74 1wb5 h PHE 913 Cb 0.87 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1wb5 h PHE 913 CO 0.00 0.09 0.61 0.10 -2.23 0.00 0.00 178.31 176.88 1wb5 h TYR 914 N 0.19 0.16 -0.04 0.41 -0.00 -1.86 -0.27 116.97 115.57 1wb5 h TYR 914 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.99 1wb5 h TYR 914 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.46 1wb5 h TYR 914 CO -0.00 0.04 -0.01 1.96 -0.00 0.00 0.00 178.16 180.15 1wb5 h GLN 915 N 0.12 0.08 -1.01 0.10 1.08 -1.78 -1.43 115.11 112.27 1wb5 h GLN 915 Ca 0.43 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.65 1wb5 h GLN 915 Cb 1.51 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.87 1wb5 h GLN 915 CO -0.06 0.43 0.66 1.49 -0.95 0.00 0.00 178.83 180.40 1wb5 h GLU 916 N -0.27 1.20 -0.21 1.46 4.81 -1.55 -1.72 114.58 118.31 1wb5 h GLU 916 Ca 0.01 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1wb5 h GLU 916 Cb 0.40 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1wb5 h GLU 916 CO 0.00 0.80 -0.05 0.35 -0.73 0.00 0.00 179.01 179.38 1wb5 h PHE 917 N 1.24 -0.10 -0.19 0.92 3.57 -0.88 0.75 116.94 122.25 1wb5 h PHE 917 Ca 0.41 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 1wb5 h PHE 917 Cb 0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1wb5 h PHE 917 CO -0.00 -0.08 0.01 0.00 -2.23 0.00 0.00 178.31 176.01 1wb5 h ARG 918 N 0.01 0.32 0.02 1.11 3.08 -0.96 -1.86 114.38 116.10 1wb5 h ARG 918 Ca 0.10 -0.10 -0.28 0.00 0.07 0.00 0.00 59.98 59.78 1wb5 h ARG 918 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1wb5 h ARG 918 CO -0.21 0.51 -1.55 1.96 -1.07 0.00 0.00 179.97 179.61 1wb5 h GLN 919 N 0.10 0.04 0.00 0.04 4.20 -1.24 -3.42 115.11 114.82 1wb5 h GLN 919 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1wb5 h GLN 919 Cb 0.35 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wb5 h GLN 919 CO 0.01 0.70 -0.99 0.09 -0.67 0.00 0.00 178.83 177.97 1wb5 n ASN 920 N -3.18 0.12 -0.02 1.46 5.03 0.15 -4.69 115.26 114.14 1wb5 n ASN 920 Ca -0.14 0.02 -0.13 0.00 0.87 0.00 0.00 54.58 55.20 1wb5 n ASN 920 Cb 1.03 -0.04 -0.10 0.00 -1.02 0.00 0.00 39.78 39.64 1wb5 n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wb5 h VAL 921 N -0.03 1.40 0.36 2.41 2.07 -1.15 -1.84 116.25 119.46 1wb5 h VAL 921 Ca -0.02 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1wb5 h VAL 921 Cb 0.96 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1wb5 h VAL 921 CO -0.01 0.31 -0.19 0.40 0.02 0.00 0.00 177.57 178.09 1wb5 h ILE 922 N -0.47 0.60 -0.86 4.57 2.04 -1.59 -1.05 117.51 120.75 1wb5 h ILE 922 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1wb5 h ILE 922 Cb 0.51 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1wb5 h ILE 922 CO 0.00 0.00 0.57 -0.65 0.00 0.00 0.00 178.15 178.07 1wb5 h PRO 923 N -0.52 1.11 0.15 2.37 0.11 -1.81 -0.62 132.00 132.78 1wb5 h PRO 923 Ca -0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1wb5 h PRO 923 Cb 0.41 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1wb5 h PRO 923 CO 0.06 0.73 -0.07 0.35 -0.21 0.00 0.00 178.00 178.87 1wb5 h PHE 924 N 1.14 -0.18 -0.17 0.65 3.57 -1.12 -1.32 116.94 119.51 1wb5 h PHE 924 Ca 0.32 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1wb5 h PHE 924 Cb -0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1wb5 h PHE 924 CO -0.00 0.02 -0.03 0.28 -2.23 0.00 0.00 178.31 176.35 1wb5 h VAL 925 N -0.36 1.28 -0.00 1.41 2.07 -1.07 -3.25 116.25 116.33 1wb5 h VAL 925 Ca -0.02 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1wb5 h VAL 925 Cb 0.28 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1wb5 h VAL 925 CO 0.03 0.28 -0.15 -0.62 0.02 0.00 0.00 177.57 177.13 1wb5 n GLU 926 N -4.69 0.15 0.14 1.57 1.02 -0.25 -1.30 120.64 117.28 1wb5 n GLU 926 Ca -0.05 -0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1wb5 n GLU 926 Cb 0.25 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.36 1wb5 n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wb5 h SER 927 N 0.10 0.00 0.05 1.62 4.64 -1.27 -3.38 113.55 115.31 1wb5 h SER 927 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1wb5 h SER 927 Cb 0.46 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 1wb5 h SER 927 CO 0.00 0.59 -2.31 1.17 -0.87 0.00 0.00 176.83 175.41 1wb5 n LYS 928 N -3.74 0.69 -4.61 4.77 4.81 -0.82 -4.99 118.16 114.27 1wb5 n LYS 928 Ca -0.01 0.18 -0.32 0.00 -0.87 0.00 0.00 58.31 57.30 1wb5 n LYS 928 Cb 0.61 -1.59 -0.12 0.00 0.02 0.00 0.00 35.03 33.95 1wb5 n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1wb5 s TYR 929 N -2.53 2.73 -0.76 5.64 2.02 -0.42 -5.06 117.35 118.96 1wb5 s TYR 929 Ca -0.29 -0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.03 1wb5 s TYR 929 Cb 0.08 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.15 1wb5 s TYR 929 CO 0.67 0.30 1.15 -1.12 -1.57 0.00 0.00 175.55 174.97 1wb5 s SER 930 N -1.32 6.27 0.03 2.29 0.01 -1.26 -4.51 113.70 115.20 1wb5 s SER 930 Ca 0.15 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1wb5 s SER 930 Cb -0.11 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wb5 s SER 930 CO 0.06 -1.53 0.04 0.35 0.41 0.00 0.00 173.24 172.56 1wb5 n THR 931 N 6.14 0.00 1.10 1.44 -2.24 -1.26 -1.24 114.28 118.22 1wb5 n THR 931 Ca 0.06 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1wb5 n THR 931 Cb 0.48 -0.82 0.62 0.00 -2.10 0.00 0.00 70.33 68.50 1wb5 n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wb5 n TYR 932 N -0.93 0.00 -1.97 4.78 4.02 -1.24 -4.36 117.16 117.46 1wb5 n TYR 932 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1wb5 n TYR 932 Cb 0.04 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 1wb5 n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wb5 s ALA 933 N -2.76 3.62 0.09 -0.72 0.00 -1.26 -4.76 121.76 115.98 1wb5 s ALA 933 Ca 0.20 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.24 1wb5 s ALA 933 Cb 0.17 -3.75 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 1wb5 s ALA 933 CO 0.43 -1.37 1.30 0.93 0.00 0.00 0.00 175.76 177.05 1wb5 h GLU 934 N 9.48 0.00 -4.20 0.00 5.08 -1.87 -3.46 114.58 119.62 1wb5 h GLU 934 Ca -0.41 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 1wb5 h GLU 934 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 1wb5 h GLU 934 CO 0.95 0.95 -0.52 -1.54 -1.00 0.00 0.00 179.01 177.85 1wb5 s SER 935 N -6.69 0.21 -0.25 1.42 1.04 -1.26 -5.06 113.70 103.11 1wb5 s SER 935 Ca 0.01 -1.06 0.13 0.00 0.48 0.00 0.00 55.95 55.52 1wb5 s SER 935 Cb 0.10 0.35 0.66 0.00 0.10 0.00 0.00 66.02 67.22 1wb5 s SER 935 CO 0.81 -0.79 1.62 0.35 0.98 0.00 0.00 173.24 176.22 1wb5 n THR 936 N -0.13 2.63 -1.10 2.02 -2.24 -1.26 -3.68 114.28 110.52 1wb5 n THR 936 Ca -0.07 -1.81 -0.30 0.00 -2.27 0.00 0.00 64.05 59.60 1wb5 n THR 936 Cb 0.63 -0.30 0.14 0.00 -2.10 0.00 0.00 70.33 68.70 1wb5 n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wb5 s THR 937 N -2.93 2.64 0.27 4.28 -4.23 -1.26 -4.77 115.64 109.65 1wb5 s THR 937 Ca 0.49 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1wb5 s THR 937 Cb 0.40 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.89 1wb5 s THR 937 CO 0.11 -0.27 1.78 -0.65 -0.54 0.00 0.00 174.62 175.05 1wb5 h PRO 938 N -1.61 0.72 -0.60 3.99 0.11 -1.98 -0.50 132.00 132.14 1wb5 h PRO 938 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1wb5 h PRO 938 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1wb5 h PRO 938 CO 0.52 0.48 0.26 1.96 -0.21 0.00 0.00 178.00 181.01 1wb5 h GLN 939 N 0.74 0.88 -0.46 1.05 7.50 -1.94 -0.45 115.11 122.43 1wb5 h GLN 939 Ca 0.49 -0.15 -0.09 0.00 0.50 0.00 0.00 58.65 59.40 1wb5 h GLN 939 Cb 0.65 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 1wb5 h GLN 939 CO -0.34 0.73 -0.09 0.78 -1.50 0.00 0.00 178.83 178.42 1wb5 h GLY 940 N 0.82 0.90 0.75 3.46 0.00 -1.47 -0.82 103.07 106.71 1wb5 h GLY 940 Ca 0.20 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1wb5 h GLY 940 CO -0.02 0.62 -0.09 -2.22 0.00 0.00 0.00 176.54 174.82 1wb5 h ILE 941 N 0.75 1.32 -0.63 2.60 2.04 -0.98 -3.05 117.51 119.57 1wb5 h ILE 941 Ca 0.13 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1wb5 h ILE 941 Cb 0.58 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1wb5 h ILE 941 CO 0.04 0.34 0.34 0.00 0.00 0.00 0.00 178.15 178.88 1wb5 h ALA 942 N 0.66 1.42 0.00 1.87 0.00 -0.99 -2.13 119.26 120.08 1wb5 h ALA 942 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wb5 h ALA 942 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wb5 h ALA 942 CO 0.03 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1wb5 h ALA 943 N 1.50 1.00 -0.28 0.00 0.00 -1.10 -2.83 119.26 117.55 1wb5 h ALA 943 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wb5 h ALA 943 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wb5 h ALA 943 CO -0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 1wb5 n SER 944 N -2.33 3.15 0.26 0.00 3.41 -0.82 -4.77 113.62 112.53 1wb5 n SER 944 Ca 0.02 -2.38 0.09 0.00 -0.26 0.00 0.00 58.87 56.34 1wb5 n SER 944 Cb 0.24 -0.33 0.68 0.00 -0.26 0.00 0.00 64.21 64.54 1wb5 n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1wb5 h ARG 945 N 1.70 0.00 0.00 4.33 0.11 -1.34 -1.24 114.38 117.94 1wb5 h ARG 945 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wb5 h ARG 945 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1wb5 h ARG 945 CO 0.07 0.02 0.00 -1.33 0.10 0.00 0.00 179.97 178.83 1wb5 n MET 946 N -4.39 0.08 -0.46 0.08 2.81 -1.26 -2.17 117.12 111.81 1wb5 n MET 946 Ca -0.03 0.43 0.05 0.00 -1.81 0.00 0.00 57.70 56.34 1wb5 n MET 946 Cb 0.10 -1.70 0.20 0.00 -0.71 0.00 0.00 33.22 31.11 1wb5 n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wb5 n HIS 947 N -1.87 0.46 -4.35 2.03 8.25 -0.47 -4.74 115.22 114.54 1wb5 n HIS 947 Ca 0.01 -1.26 -0.20 0.00 -0.26 0.00 0.00 57.72 56.02 1wb5 n HIS 947 Cb 0.12 -0.29 -0.15 0.00 1.12 0.00 0.00 29.99 30.78 1wb5 n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1wb5 s ARG 948 N -3.06 0.90 0.12 -0.41 3.52 -1.03 -1.89 118.95 117.11 1wb5 s ARG 948 Ca 0.39 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1wb5 s ARG 948 Cb 0.35 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.84 1wb5 s ARG 948 CO 0.01 0.09 -0.03 0.20 -0.81 0.00 0.00 175.30 174.76 1wb5 s GLY 949 N 0.24 0.93 -0.03 8.12 0.00 -0.18 -2.27 107.32 114.12 1wb5 s GLY 949 Ca -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 1wb5 s GLY 949 CO 0.00 -1.46 0.08 -0.12 0.00 0.00 0.00 173.10 171.60 1wb5 s PHE 950 N -3.69 -0.08 0.34 1.90 2.19 -0.11 -1.14 117.98 117.40 1wb5 s PHE 950 Ca 0.17 0.25 -0.04 0.00 0.33 0.00 0.00 56.93 57.64 1wb5 s PHE 950 Cb 0.06 -0.06 0.01 0.00 -1.31 0.00 0.00 43.02 41.71 1wb5 s PHE 950 CO -0.01 -0.08 0.49 0.20 1.83 0.00 0.00 175.22 177.65 1wb5 s GLY 951 N 0.56 1.40 0.00 13.12 0.00 0.04 -0.53 107.32 121.90 1wb5 s GLY 951 Ca -0.04 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1wb5 s GLY 951 CO -0.02 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1wb5 n GLY 952 N -0.56 1.51 3.46 0.20 0.00 -0.93 -0.64 105.19 108.23 1wb5 n GLY 952 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1wb5 n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb5 s PHE 953 N -2.00 2.95 0.00 1.61 5.36 -0.67 -0.88 117.98 124.36 1wb5 s PHE 953 Ca 0.00 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1wb5 s PHE 953 Cb 0.00 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1wb5 s PHE 953 CO 0.00 -0.07 0.00 0.00 -1.46 0.00 0.00 175.22 173.69 1wb5 n ALA 954 N 3.45 0.00 0.29 11.12 0.00 -0.00 -0.14 120.51 135.23 1wb5 n ALA 954 Ca -0.18 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.41 1wb5 n ALA 954 Cb 0.53 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.86 1wb5 n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wb5 h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.84 0.15 114.93 116.10 1wb5 h MET 955 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1wb5 h MET 955 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1wb5 h MET 955 CO 0.00 0.03 -0.21 0.78 1.06 0.00 0.00 176.91 178.56 1wb5 h GLY 956 N 0.18 0.00 0.87 8.32 0.00 -0.28 -1.11 103.07 111.06 1wb5 h GLY 956 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1wb5 h GLY 956 CO 0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.16 1wb5 h GLY 957 N 2.27 0.58 0.52 4.60 0.00 -0.54 -1.91 103.07 108.58 1wb5 h GLY 957 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 47.33 46.93 1wb5 h GLY 957 CO 0.03 0.43 0.22 -2.00 0.00 0.00 0.00 176.54 175.22 1wb5 h LEU 958 N 0.30 0.26 -0.71 3.11 6.46 -1.06 -1.77 115.31 121.89 1wb5 h LEU 958 Ca 0.07 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1wb5 h LEU 958 Cb 0.53 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.40 1wb5 h LEU 958 CO 0.03 0.17 0.32 0.74 -0.62 0.00 0.00 178.44 179.07 1wb5 h THR 959 N 0.42 0.76 -0.54 1.05 2.02 -1.09 -1.82 112.91 113.71 1wb5 h THR 959 Ca 0.27 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1wb5 h THR 959 Cb 0.28 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1wb5 h THR 959 CO -0.25 0.09 0.30 0.74 0.37 0.00 0.00 175.52 176.77 1wb5 h THR 960 N 0.51 1.00 -0.63 3.16 2.02 -0.58 0.14 112.91 118.53 1wb5 h THR 960 Ca 0.37 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1wb5 h THR 960 Cb 0.47 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1wb5 h THR 960 CO -0.33 0.11 0.12 -0.50 0.37 0.00 0.00 175.52 175.29 1wb5 h TRP 961 N 0.58 1.10 -0.15 3.16 4.06 -0.62 0.00 115.95 124.08 1wb5 h TRP 961 Ca 0.23 -0.15 -0.09 0.00 2.06 0.00 0.00 58.89 60.94 1wb5 h TRP 961 Cb 0.09 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 1wb5 h TRP 961 CO -0.08 0.93 -0.31 1.88 -3.56 0.00 0.00 178.44 177.29 1wb5 h TYR 962 N 0.95 0.34 -0.51 0.49 -1.99 -0.89 -1.76 116.97 113.59 1wb5 h TYR 962 Ca 0.19 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1wb5 h TYR 962 Cb 0.41 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1wb5 h TYR 962 CO 0.03 0.59 0.12 0.28 -0.00 0.00 0.00 178.16 179.18 1wb5 h VAL 963 N 0.26 1.24 -0.08 -2.88 2.07 -0.34 -2.14 116.25 114.38 1wb5 h VAL 963 Ca 0.04 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1wb5 h VAL 963 Cb 0.69 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1wb5 h VAL 963 CO 0.05 0.31 0.04 -0.03 0.02 0.00 0.00 177.57 177.97 1wb5 h MET 964 N 0.72 0.09 0.00 1.57 1.85 -0.68 0.25 114.93 118.72 1wb5 h MET 964 Ca 0.16 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.16 1wb5 h MET 964 Cb 0.35 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1wb5 h MET 964 CO 0.00 0.06 -0.39 -0.39 -0.40 0.00 0.00 176.91 175.79 1wb5 h VAL 965 N 0.09 0.97 -0.01 -5.77 -1.51 -1.29 -3.02 116.25 105.71 1wb5 h VAL 965 Ca 0.03 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 1wb5 h VAL 965 Cb 0.00 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1wb5 h VAL 965 CO -0.02 0.38 -0.47 0.59 -1.23 0.00 0.00 177.57 176.83 1wb5 n ASN 966 N -3.63 1.73 -1.15 4.19 3.02 -0.81 -4.64 115.26 113.98 1wb5 n ASN 966 Ca -0.01 -1.37 0.03 0.00 -0.03 0.00 0.00 54.58 53.21 1wb5 n ASN 966 Cb 0.50 0.54 0.02 0.00 -0.61 0.00 0.00 39.78 40.22 1wb5 n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wb5 h LEU 968 N 0.67 0.00 -2.17 0.00 3.38 -1.68 -0.65 115.31 114.85 1wb5 h LEU 968 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1wb5 h LEU 968 Cb 1.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1wb5 h LEU 968 CO 0.07 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 176.33 1wb5 h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.22 116.42 112.89 1wb5 h ASP 969 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1wb5 h ASP 969 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1wb5 h ASP 969 CO -0.00 0.03 -1.60 -1.22 -1.03 0.00 0.00 179.24 175.42 1wb5 n TYR 970 N -4.12 0.00 -4.07 4.15 4.02 -0.35 -4.33 117.16 112.45 1wb5 n TYR 970 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 1wb5 n TYR 970 Cb 0.11 -0.31 -0.16 0.00 -0.02 0.00 0.00 39.34 38.97 1wb5 n TYR 970 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wb5 s VAL 971 N -2.96 0.36 -0.10 -0.72 1.01 -0.59 -4.37 120.40 113.03 1wb5 s VAL 971 Ca -0.05 -0.06 0.15 0.00 0.00 0.00 0.00 61.98 62.02 1wb5 s VAL 971 Cb 0.09 -0.39 -0.22 0.00 0.00 0.00 0.00 36.38 35.86 1wb5 s VAL 971 CO 0.59 0.16 0.19 0.00 0.00 0.00 0.00 175.10 176.05 1wb5 n ALA 972 N 3.79 2.05 -2.88 5.51 0.00 -0.92 -4.50 120.51 123.56 1wb5 n ALA 972 Ca -0.23 -0.75 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 1wb5 n ALA 972 Cb 0.52 -0.29 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 1wb5 n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wb5 s TYR 973 N -2.72 2.60 -0.05 0.00 1.51 -1.14 -0.86 117.35 116.69 1wb5 s TYR 973 Ca -0.07 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 1wb5 s TYR 973 Cb 0.07 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1wb5 s TYR 973 CO 0.66 -0.20 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.74 1wb5 s PHE 974 N -0.02 1.26 -0.53 2.71 0.08 -0.17 -0.93 117.98 120.38 1wb5 s PHE 974 Ca -0.06 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.66 1wb5 s PHE 974 Cb -0.15 -0.91 0.23 0.00 -0.57 0.00 0.00 43.02 41.62 1wb5 s PHE 974 CO 0.05 -0.19 0.57 -0.12 -0.10 0.00 0.00 175.22 175.43 1wb5 n MET 975 N 3.55 1.42 -2.40 0.44 1.56 0.31 -1.07 117.12 120.93 1wb5 n MET 975 Ca -0.21 -3.90 -0.42 0.00 -0.27 0.00 0.00 57.70 52.90 1wb5 n MET 975 Cb 0.53 -1.80 -0.03 0.00 2.15 0.00 0.00 33.22 34.07 1wb5 n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wb5 s PRO 976 N -1.49 4.34 -0.20 2.12 0.04 -1.25 -2.20 135.00 136.36 1wb5 s PRO 976 Ca 0.35 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 1wb5 s PRO 976 Cb 0.11 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1wb5 s PRO 976 CO -0.10 -0.48 -0.14 -0.51 0.04 0.00 0.00 177.00 175.81 1wb5 s LEU 977 N 2.25 2.50 -1.44 -3.56 1.43 -0.05 -1.94 118.68 117.87 1wb5 s LEU 977 Ca 0.58 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1wb5 s LEU 977 Cb -0.26 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1wb5 s LEU 977 CO 0.23 -0.03 0.67 -1.20 0.23 0.00 0.00 176.35 176.25 1wb5 n SER 978 N 4.65 -1.87 -3.62 2.29 7.64 -0.21 -0.82 113.62 121.69 1wb5 n SER 978 Ca -0.19 -0.90 -0.14 0.00 1.01 0.00 0.00 58.87 58.64 1wb5 n SER 978 Cb 0.49 -3.52 -0.07 0.00 -1.01 0.00 0.00 64.21 60.11 1wb5 n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wb5 s GLY 979 N -4.02 -0.52 0.47 0.23 0.00 -1.26 -3.25 107.32 98.96 1wb5 s GLY 979 Ca 0.23 1.97 0.08 0.00 0.00 0.00 0.00 44.72 47.00 1wb5 s GLY 979 CO 0.86 1.64 0.57 0.51 0.00 0.00 0.00 173.10 176.68 1wb5 s ASP 980 N 0.15 5.30 -0.37 1.64 -4.77 -1.26 -4.62 116.67 112.74 1wb5 s ASP 980 Ca -0.01 -0.67 -0.19 0.00 -3.30 0.00 0.00 52.55 48.38 1wb5 s ASP 980 Cb -0.04 -0.31 0.00 0.00 -1.09 0.00 0.00 42.92 41.48 1wb5 s ASP 980 CO 0.02 -0.91 0.57 -0.47 0.70 0.00 0.00 175.17 175.07 1wb5 s TYR 981 N -2.49 3.15 -1.18 2.11 5.04 -1.26 -4.23 117.35 118.49 1wb5 s TYR 981 Ca 0.54 0.16 -0.12 0.00 -2.44 0.00 0.00 57.07 55.21 1wb5 s TYR 981 Cb -0.07 -3.06 0.21 0.00 0.35 0.00 0.00 41.96 39.40 1wb5 s TYR 981 CO 0.32 -0.63 1.36 0.91 -1.34 0.00 0.00 175.55 176.18 1wb5 n TRP 982 N 5.91 4.89 -3.13 4.97 7.02 -1.26 -4.72 117.44 131.12 1wb5 n TRP 982 Ca -0.03 -3.48 -0.03 0.00 -1.02 0.00 0.00 57.50 52.93 1wb5 n TRP 982 Cb 0.49 -2.00 -0.02 0.00 -2.42 0.00 0.00 31.31 27.36 1wb5 n TRP 982 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1wb5 s TYR 983 N 0.46 -1.44 0.00 -5.99 5.04 -1.26 -5.12 117.35 109.04 1wb5 s TYR 983 Ca 0.39 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1wb5 s TYR 983 Cb -0.04 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1wb5 s TYR 983 CO -0.02 -1.17 0.00 0.41 -1.34 0.00 0.00 175.55 173.43 1wb5 n GLY 984 N 4.01 4.90 0.26 8.97 0.00 -1.26 -3.69 105.19 118.37 1wb5 n GLY 984 Ca 0.13 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.27 1wb5 n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb5 n ASN 985 N 0.00 0.85 -3.88 1.61 3.02 -1.26 -4.80 115.26 110.80 1wb5 n ASN 985 Ca 0.00 -1.18 -0.09 0.00 -0.03 0.00 0.00 54.58 53.28 1wb5 n ASN 985 Cb 0.00 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1wb5 n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wb5 s SER 986 N -2.09 0.02 0.45 6.41 1.04 -1.26 -5.02 113.70 113.25 1wb5 s SER 986 Ca 0.39 -0.71 0.10 0.00 0.48 0.00 0.00 55.95 56.21 1wb5 s SER 986 Cb 0.21 0.41 1.01 0.00 0.10 0.00 0.00 66.02 67.75 1wb5 s SER 986 CO 0.37 -0.84 2.09 -0.65 0.98 0.00 0.00 173.24 175.20 1wb5 h PRO 987 N 2.58 0.34 -0.70 4.02 0.11 -1.88 -2.17 132.00 134.30 1wb5 h PRO 987 Ca -0.33 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 1wb5 h PRO 987 Cb 1.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1wb5 h PRO 987 CO 0.50 0.23 0.16 1.96 -0.21 0.00 0.00 178.00 180.64 1wb5 h GLN 988 N 0.36 1.13 -0.67 1.05 7.50 -1.95 -0.70 115.11 121.82 1wb5 h GLN 988 Ca 0.10 -0.28 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 1wb5 h GLN 988 Cb -0.04 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.31 1wb5 h GLN 988 CO -0.02 1.00 0.41 -0.44 -1.50 0.00 0.00 178.83 178.28 1wb5 h ASP 989 N 1.07 0.80 0.10 1.46 3.32 -1.75 0.11 116.42 121.53 1wb5 h ASP 989 Ca 0.22 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1wb5 h ASP 989 Cb 0.38 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1wb5 h ASP 989 CO 0.00 0.63 -0.05 0.11 -1.72 0.00 0.00 179.24 178.21 1wb5 h LYS 990 N 0.91 -0.12 -0.79 3.56 1.57 -1.09 -1.77 116.57 118.84 1wb5 h LYS 990 Ca 0.24 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1wb5 h LYS 990 Cb -0.03 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1wb5 h LYS 990 CO -0.05 -0.00 0.44 0.00 -0.57 0.00 0.00 179.45 179.27 1wb5 h ALA 991 N 0.67 1.01 -0.32 3.86 0.00 -0.99 -2.39 119.26 121.11 1wb5 h ALA 991 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1wb5 h ALA 991 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wb5 h ALA 991 CO 0.02 0.52 -0.07 -0.91 0.00 0.00 0.00 179.25 178.81 1wb5 h ASN 992 N 1.09 0.49 -0.40 0.00 2.35 -0.67 0.51 115.58 118.96 1wb5 h ASN 992 Ca 0.28 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1wb5 h ASN 992 Cb 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1wb5 h ASN 992 CO -0.05 0.61 0.13 -1.28 -1.65 0.00 0.00 177.43 175.20 1wb5 h SER 993 N 0.49 0.58 -0.48 5.81 0.87 -1.01 0.85 113.55 120.66 1wb5 h SER 993 Ca 0.10 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1wb5 h SER 993 Cb 0.42 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1wb5 h SER 993 CO 0.02 0.62 0.25 0.40 -0.53 0.00 0.00 176.83 177.59 1wb5 h ILE 994 N 0.51 1.18 -0.67 2.23 2.04 -1.00 -1.61 117.51 120.19 1wb5 h ILE 994 Ca 0.13 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1wb5 h ILE 994 Cb 0.24 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1wb5 h ILE 994 CO -0.01 0.20 0.42 0.00 0.00 0.00 0.00 178.15 178.77 1wb5 h ALA 995 N 1.09 0.87 -0.31 1.87 0.00 -0.64 -1.08 119.26 121.05 1wb5 h ALA 995 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1wb5 h ALA 995 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wb5 h ALA 995 CO -0.02 0.21 -0.22 0.93 0.00 0.00 0.00 179.25 180.14 1wb5 h GLU 996 N 0.84 0.60 -0.62 0.00 5.08 -0.63 0.54 114.58 120.39 1wb5 h GLU 996 Ca 0.26 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1wb5 h GLU 996 Cb -0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1wb5 h GLU 996 CO -0.09 0.77 0.17 0.00 -1.00 0.00 0.00 179.01 178.86 1wb5 h ALA 997 N 1.23 0.81 -0.36 3.43 0.00 -0.78 -0.32 119.26 123.28 1wb5 h ALA 997 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wb5 h ALA 997 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wb5 h ALA 997 CO 0.05 0.50 0.21 0.82 0.00 0.00 0.00 179.25 180.83 1wb5 h ILE 998 N 0.89 1.12 -0.35 0.00 2.04 -0.72 -1.21 117.51 119.28 1wb5 h ILE 998 Ca 0.20 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1wb5 h ILE 998 Cb 0.33 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1wb5 h ILE 998 CO -0.00 0.12 0.17 0.78 0.00 0.00 0.00 178.15 179.22 1wb5 h ASN 999 N 0.46 0.25 -0.20 1.72 -0.26 -0.60 -2.37 115.58 114.59 1wb5 h ASN 999 Ca 0.13 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1wb5 h ASN 999 Cb 0.01 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1wb5 h ASN 999 CO -0.02 0.19 0.02 0.03 -1.06 0.00 0.00 177.43 176.58 1wb5 h ARG 1000N 0.36 0.45 0.00 0.81 2.47 -0.81 -2.59 114.38 115.06 1wb5 h ARG 1000Ca 0.15 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1wb5 h ARG 1000Cb 0.06 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1wb5 h ARG 1000CO -0.11 0.46 -0.19 0.66 0.56 0.00 0.00 179.97 181.35 1wb5 h SER 1001N 0.43 0.00 0.00 7.04 4.64 -0.69 -3.47 113.55 121.51 1wb5 h SER 1001Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1wb5 h SER 1001Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1wb5 h SER 1001CO 0.01 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1wb5 n GLY 1002N -0.13 0.69 3.77 -0.77 0.00 -0.98 -5.00 105.19 102.78 1wb5 n GLY 1002Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wb5 n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb5 s LEU 1003N 0.00 3.78 0.70 0.99 1.43 -1.25 -5.04 118.68 119.28 1wb5 s LEU 1003Ca 0.00 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 1wb5 s LEU 1003Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.69 1wb5 s LEU 1003CO 0.00 -1.19 1.08 -0.94 0.23 0.00 0.00 176.35 175.53 1wb5 s SER 1004N -1.72 5.44 0.22 2.29 1.04 -1.26 -4.93 113.70 114.78 1wb5 s SER 1004Ca 0.72 1.08 0.17 0.00 0.48 0.00 0.00 55.95 58.40 1wb5 s SER 1004Cb -0.25 -1.89 0.86 0.00 0.10 0.00 0.00 66.02 64.84 1wb5 s SER 1004CO 0.28 -1.33 1.52 0.29 0.98 0.00 0.00 173.24 174.99 1wb5 n LYS 1005N -2.97 0.11 -0.21 4.02 5.02 -1.26 -1.59 118.16 121.27 1wb5 n LYS 1005Ca 0.07 0.54 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 1wb5 n LYS 1005Cb 0.57 -1.82 0.22 0.00 -0.02 0.00 0.00 35.03 33.99 1wb5 n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wb5 n ARG 1006N -2.05 2.05 0.00 1.97 5.12 -1.26 -4.25 116.66 118.24 1wb5 n ARG 1006Ca -0.00 -1.62 0.00 0.00 -1.93 0.00 0.00 57.85 54.30 1wb5 n ARG 1006Cb 0.07 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1wb5 n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wb5 n GLU 1007N 0.82 1.47 -3.72 5.56 1.02 -0.62 -4.95 120.64 120.22 1wb5 n GLU 1007Ca 0.16 -1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.10 1wb5 n GLU 1007Cb 0.39 -0.92 -0.08 0.00 -0.02 0.00 0.00 31.44 30.81 1wb5 n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wb5 s TYR 1008N -0.58 -0.26 -0.10 -0.32 -0.85 -1.26 -4.70 117.35 109.29 1wb5 s TYR 1008Ca 0.00 0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 56.89 1wb5 s TYR 1008Cb 0.00 0.15 0.04 0.00 0.38 0.00 0.00 41.96 42.53 1wb5 s TYR 1008CO 0.00 -0.43 0.23 -0.06 -1.52 0.00 0.00 175.55 173.77 1wb5 s PHE 1009N -1.36 -0.30 -0.19 -3.49 0.40 -0.04 -4.80 117.98 108.20 1wb5 s PHE 1009Ca -0.13 0.73 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 1wb5 s PHE 1009Cb -0.04 0.04 0.03 0.00 0.51 0.00 0.00 43.02 43.56 1wb5 s PHE 1009CO 0.05 -0.21 -0.13 0.08 0.70 0.00 0.00 175.22 175.71 1wb5 s VAL 1010N 1.10 1.71 -0.47 -0.44 1.01 -0.23 -0.99 120.40 122.08 1wb5 s VAL 1010Ca -0.08 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1wb5 s VAL 1010Cb -0.09 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.71 1wb5 s VAL 1010CO -0.07 0.29 0.23 0.12 0.00 0.00 0.00 175.10 175.67 1wb5 s PHE 1011N 1.39 3.47 0.35 5.22 2.19 -0.23 -1.24 117.98 129.13 1wb5 s PHE 1011Ca 0.01 -2.89 -0.09 0.00 0.33 0.00 0.00 56.93 54.29 1wb5 s PHE 1011Cb -0.15 -3.01 -0.06 0.00 -1.31 0.00 0.00 43.02 38.49 1wb5 s PHE 1011CO -0.09 -0.86 0.68 0.00 1.83 0.00 0.00 175.22 176.77 1wb5 s ALA 1012N 0.35 3.45 -0.02 11.12 0.00 -0.08 -3.84 121.76 132.74 1wb5 s ALA 1012Ca 0.14 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 1wb5 s ALA 1012Cb -0.22 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1wb5 s ALA 1012CO -0.04 0.14 0.46 0.00 0.00 0.00 0.00 175.76 176.33 1wb5 s ALA 1013N -2.20 -1.18 0.19 0.00 0.00 -0.82 -0.99 121.76 116.76 1wb5 s ALA 1013Ca 0.49 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.09 1wb5 s ALA 1013Cb -0.10 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1wb5 s ALA 1013CO 0.29 -0.32 0.35 -2.37 0.00 0.00 0.00 175.76 173.71 1wb5 n THR 1014N 1.05 0.00 -4.13 0.00 5.66 -0.44 -1.04 114.28 115.38 1wb5 n THR 1014Ca -0.20 -0.61 -0.28 0.00 -3.05 0.00 0.00 64.05 59.90 1wb5 n THR 1014Cb 0.57 0.51 -0.07 0.00 -1.55 0.00 0.00 70.33 69.79 1wb5 n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wb5 s GLY 1015N -2.05 1.84 0.51 1.09 0.00 -1.26 -0.94 107.32 106.50 1wb5 s GLY 1015Ca 0.10 -1.19 0.33 0.00 0.00 0.00 0.00 44.72 43.95 1wb5 s GLY 1015CO 0.07 -1.19 1.97 1.48 0.00 0.00 0.00 173.10 175.44 1wb5 h SER 1016N 3.02 0.00 -0.48 1.64 4.64 -1.00 -1.88 113.55 119.50 1wb5 h SER 1016Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wb5 h SER 1016Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wb5 h SER 1016CO 0.60 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.94 1wb5 n GLU 1017N -2.92 3.51 -3.28 4.77 -0.58 -0.36 -4.87 120.64 116.91 1wb5 n GLU 1017Ca 0.00 -2.77 -0.39 0.00 -0.42 0.00 0.00 57.16 53.59 1wb5 n GLU 1017Cb 0.26 -1.82 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 1wb5 n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wb5 s ASP 1018N -1.20 6.53 0.47 1.62 -1.08 -0.71 -4.34 116.67 117.97 1wb5 s ASP 1018Ca 0.44 0.63 0.27 0.00 -0.52 0.00 0.00 52.55 53.37 1wb5 s ASP 1018Cb 0.31 -2.28 1.32 0.00 -1.46 0.00 0.00 42.92 40.81 1wb5 s ASP 1018CO 0.18 -0.16 1.82 0.16 0.52 0.00 0.00 175.17 177.68 1wb5 h ILE 1019N 5.12 0.51 0.00 4.11 3.07 -1.92 -0.58 117.51 127.81 1wb5 h ILE 1019Ca -0.34 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1wb5 h ILE 1019Cb 1.16 0.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1wb5 h ILE 1019CO 0.73 0.03 0.00 0.00 -1.05 0.00 0.00 178.15 177.87 1wb5 n ALA 1020N -2.62 1.80 -0.27 0.16 0.00 -1.26 -3.03 120.51 115.28 1wb5 n ALA 1020Ca 0.23 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1wb5 n ALA 1020Cb 0.99 -1.41 0.25 0.00 0.00 0.00 0.00 19.45 19.28 1wb5 n ALA 1020CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wb5 h TYR 1021N 0.00 1.00 -0.39 0.00 3.20 -1.37 -0.86 116.97 118.54 1wb5 h TYR 1021Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1wb5 h TYR 1021Cb 0.45 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1wb5 h TYR 1021CO 0.00 0.54 0.27 0.00 -1.64 0.00 0.00 178.16 177.33 1wb5 h ALA 1022N 1.52 1.96 0.00 1.82 0.00 -1.73 -1.14 119.26 121.69 1wb5 h ALA 1022Ca 0.36 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 1wb5 h ALA 1022Cb 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1wb5 h ALA 1022CO -0.12 -0.03 -2.04 0.09 0.00 0.00 0.00 179.25 177.15 1wb5 n ASN 1023N -4.48 0.50 -0.11 0.00 3.02 -0.79 -4.34 115.26 109.06 1wb5 n ASN 1023Ca 0.05 0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.69 1wb5 n ASN 1023Cb 0.23 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 1wb5 n ASN 1023CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1wb5 h MET 1024N 0.00 0.70 -0.28 3.52 2.86 -0.88 -3.32 114.93 117.53 1wb5 h MET 1024Ca -0.42 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 56.93 1wb5 h MET 1024Cb 2.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.75 1wb5 h MET 1024CO 0.05 0.90 0.18 -0.97 1.06 0.00 0.00 176.91 178.14 1wb5 h ASN 1025N 0.48 0.31 -0.73 1.22 -1.24 -1.41 -0.42 115.58 113.78 1wb5 h ASN 1025Ca 0.08 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1wb5 h ASN 1025Cb 0.69 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 1wb5 h ASN 1025CO 0.05 0.22 0.48 -0.65 -1.29 0.00 0.00 177.43 176.24 1wb5 h PRO 1026N 0.37 0.90 -0.32 6.67 0.11 -1.78 -0.94 132.00 137.00 1wb5 h PRO 1026Ca 0.11 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1wb5 h PRO 1026Cb -0.03 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1wb5 h PRO 1026CO -0.03 0.59 0.10 0.37 -0.21 0.00 0.00 178.00 178.83 1wb5 h GLN 1027N 0.92 0.50 -0.66 1.05 4.15 -1.44 -1.94 115.11 117.70 1wb5 h GLN 1027Ca 0.28 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.60 1wb5 h GLN 1027Cb -0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1wb5 h GLN 1027CO -0.07 0.53 0.44 0.82 -1.93 0.00 0.00 178.83 178.62 1wb5 h ILE 1028N 0.37 1.17 -0.83 2.39 1.08 -0.65 -0.76 117.51 120.28 1wb5 h ILE 1028Ca 0.10 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1wb5 h ILE 1028Cb 0.24 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1wb5 h ILE 1028CO -0.00 0.16 0.43 -0.33 -0.69 0.00 0.00 178.15 177.72 1wb5 h GLU 1029N 0.89 1.17 -0.57 2.37 4.39 -1.08 -0.83 114.58 120.93 1wb5 h GLU 1029Ca 0.24 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1wb5 h GLU 1029Cb -0.10 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.31 1wb5 h GLU 1029CO -0.06 0.88 -0.00 0.00 -1.16 0.00 0.00 179.01 178.67 1wb5 h ALA 1030N 1.23 0.93 -0.50 3.43 0.00 -0.94 -2.77 119.26 120.63 1wb5 h ALA 1030Ca 0.29 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wb5 h ALA 1030Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1wb5 h ALA 1030CO -0.04 0.64 0.03 0.52 0.00 0.00 0.00 179.25 180.40 1wb5 h MET 1031N 0.90 0.81 -0.49 0.00 2.86 -0.64 -2.89 114.93 115.49 1wb5 h MET 1031Ca 0.16 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1wb5 h MET 1031Cb 0.53 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1wb5 h MET 1031CO 0.03 0.80 0.32 0.87 1.06 0.00 0.00 176.91 179.99 1wb5 h LYS 1032N 0.76 0.54 0.00 1.72 1.57 -0.88 -1.77 116.57 118.50 1wb5 h LYS 1032Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wb5 h LYS 1032Cb 0.42 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1wb5 h LYS 1032CO 0.02 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 1wb5 n ALA 1033N -2.48 1.91 -1.77 3.86 0.00 -1.09 -4.78 120.51 116.15 1wb5 n ALA 1033Ca 0.05 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1wb5 n ALA 1033Cb 0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 1wb5 n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wb5 s LEU 1034N -4.53 4.26 0.37 0.00 1.43 -0.67 -4.94 118.68 114.61 1wb5 s LEU 1034Ca 0.07 2.18 0.27 0.00 -1.03 0.00 0.00 54.13 55.61 1wb5 s LEU 1034Cb 0.10 -3.99 1.28 0.00 0.03 0.00 0.00 46.19 43.61 1wb5 s LEU 1034CO 0.48 -0.44 1.81 1.55 0.23 0.00 0.00 176.35 179.97 1wb5 h PRO 1035N 2.89 0.00 0.00 1.29 0.13 -1.87 -3.07 132.00 131.37 1wb5 h PRO 1035Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wb5 h PRO 1035Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wb5 h PRO 1035CO 0.64 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.86 1wb5 h HIS 1036N 0.00 0.00 -3.60 1.56 3.86 -1.92 -3.43 115.15 111.63 1wb5 h HIS 1036Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1wb5 h HIS 1036Cb 0.20 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.35 1wb5 h HIS 1036CO 0.00 0.00 -0.84 -0.06 0.86 0.00 0.00 177.93 177.89 1wb5 s PHE 1037N -3.40 1.86 -0.30 2.45 0.08 -1.16 -4.83 117.98 112.67 1wb5 s PHE 1037Ca 0.04 -0.65 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 1wb5 s PHE 1037Cb 0.09 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1wb5 s PHE 1037CO 0.45 -0.27 0.05 -0.51 -0.10 0.00 0.00 175.22 174.84 1wb5 s ASP 1038N 0.32 4.99 -0.28 1.36 1.01 -1.26 -4.83 116.67 117.98 1wb5 s ASP 1038Ca -0.11 -0.97 -0.27 0.00 0.71 0.00 0.00 52.55 51.91 1wb5 s ASP 1038Cb -0.15 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 41.99 1wb5 s ASP 1038CO 0.04 -0.23 0.98 -0.47 0.21 0.00 0.00 175.17 175.70 1wb5 s TYR 1039N 1.39 3.24 0.00 4.23 5.04 -1.26 -1.27 117.35 128.72 1wb5 s TYR 1039Ca -0.01 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1wb5 s TYR 1039Cb -0.18 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.73 1wb5 s TYR 1039CO 0.01 -0.60 0.00 -2.37 -1.34 0.00 0.00 175.55 171.25 1wb5 n THR 1040N 5.56 0.00 1.31 4.34 5.66 0.32 -4.95 114.28 126.52 1wb5 n THR 1040Ca 0.10 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.24 1wb5 n THR 1040Cb 0.47 0.00 0.65 0.00 -1.55 0.00 0.00 70.33 69.90 1wb5 n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wb5 n SER 1041N 0.00 0.19 -4.52 1.09 3.41 -0.66 -3.65 113.62 109.48 1wb5 n SER 1041Ca 0.00 -0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 1wb5 n SER 1041Cb 0.00 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1wb5 n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wb5 s ASP 1042N -2.65 6.41 0.00 4.04 -1.08 -1.05 -4.71 116.67 117.62 1wb5 s ASP 1042Ca 0.25 -1.29 0.22 0.00 -0.52 0.00 0.00 52.55 51.20 1wb5 s ASP 1042Cb 0.20 -2.51 1.29 0.00 -1.46 0.00 0.00 42.92 40.44 1wb5 s ASP 1042CO 0.50 -1.48 1.70 0.49 0.52 0.00 0.00 175.17 176.90 1wb5 n PHE 1043N 8.34 0.00 0.67 -5.34 3.72 -1.26 -0.89 117.46 122.70 1wb5 n PHE 1043Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.72 1wb5 n PHE 1043Cb 0.49 -0.05 0.47 0.00 -0.94 0.00 0.00 39.48 39.46 1wb5 n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wb5 n SER 1044N -1.05 0.45 0.00 4.37 3.41 -1.26 -4.24 113.62 115.30 1wb5 n SER 1044Ca 0.16 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1wb5 n SER 1044Cb 0.09 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1wb5 n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wb5 n LYS 1045N -1.94 3.00 -0.20 4.33 5.02 -0.07 -5.11 118.16 123.19 1wb5 n LYS 1045Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1wb5 n LYS 1045Cb 0.33 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1wb5 n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wb5 n GLY 1046N 1.34 2.73 0.25 0.72 0.00 -0.59 -4.99 105.19 104.66 1wb5 n GLY 1046Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1wb5 n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wb5 n ASN 1047N -0.18 0.00 -3.69 1.61 6.94 -0.40 -4.17 115.26 115.37 1wb5 n ASN 1047Ca 0.00 -1.25 -0.10 0.00 -0.02 0.00 0.00 54.58 53.20 1wb5 n ASN 1047Cb 0.00 -0.05 -0.11 0.00 -2.36 0.00 0.00 39.78 37.26 1wb5 n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1wb5 s PHE 1048N 0.00 -0.63 0.01 -2.53 5.36 -1.09 -1.07 117.98 118.04 1wb5 s PHE 1048Ca 0.00 1.31 -0.15 0.00 -0.96 0.00 0.00 56.93 57.14 1wb5 s PHE 1048Cb 0.00 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.96 1wb5 s PHE 1048CO 0.00 -0.37 0.31 -0.47 -1.46 0.00 0.00 175.22 173.24 1wb5 s TYR 1049N 1.64 -0.15 -0.26 10.12 5.04 -0.37 -0.52 117.35 132.85 1wb5 s TYR 1049Ca -0.08 0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 54.67 1wb5 s TYR 1049Cb -0.09 0.10 0.08 0.00 0.35 0.00 0.00 41.96 42.40 1wb5 s TYR 1049CO -0.13 -0.45 0.06 0.12 -1.34 0.00 0.00 175.55 173.81 1wb5 s PHE 1050N -1.95 1.60 -0.17 4.97 5.36 -1.26 -0.91 117.98 125.63 1wb5 s PHE 1050Ca -0.09 -1.46 -0.21 0.00 -0.96 0.00 0.00 56.93 54.21 1wb5 s PHE 1050Cb -0.03 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 1wb5 s PHE 1050CO 0.00 -0.78 0.61 -1.17 -1.46 0.00 0.00 175.22 172.43 1wb5 s LEU 1051N 1.66 4.18 -0.20 6.12 0.20 -0.17 -4.97 118.68 125.50 1wb5 s LEU 1051Ca 0.04 0.86 0.00 0.00 0.69 0.00 0.00 54.13 55.72 1wb5 s LEU 1051Cb -0.17 -2.87 0.02 0.00 -0.43 0.00 0.00 46.19 42.73 1wb5 s LEU 1051CO -0.17 -0.21 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.84 1wb5 s VAL 1052N 1.61 2.39 -0.31 1.68 1.01 -1.26 -1.33 120.40 124.20 1wb5 s VAL 1052Ca 0.29 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1wb5 s VAL 1052Cb -0.16 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1wb5 s VAL 1052CO 0.11 0.41 0.61 0.00 0.00 0.00 0.00 175.10 176.23 1wb5 s ALA 1053N 1.30 3.52 0.12 5.51 0.00 -0.12 -4.75 121.76 127.35 1wb5 s ALA 1053Ca 0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 1wb5 s ALA 1053Cb -0.14 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1wb5 s ALA 1053CO -0.09 -1.09 1.77 -2.14 0.00 0.00 0.00 175.76 174.20 1wb5 s PRO 1054N 2.58 4.15 0.00 0.00 0.02 -1.26 -0.80 135.00 139.70 1wb5 s PRO 1054Ca 0.24 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1wb5 s PRO 1054Cb -0.15 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.85 1wb5 s PRO 1054CO 0.12 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1wb5 n GLY 1055N 4.14 1.79 3.75 0.52 0.00 -1.26 -4.85 105.19 109.28 1wb5 n GLY 1055Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1wb5 n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb5 s ALA 1056N -2.75 3.35 0.52 4.61 0.00 -1.08 -4.60 121.76 121.82 1wb5 s ALA 1056Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1wb5 s ALA 1056Cb 0.00 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1wb5 s ALA 1056CO 0.00 0.21 0.53 0.95 0.00 0.00 0.00 175.76 177.45 1wb5 s THR 1057N -1.09 2.13 -1.24 0.00 -4.23 -1.26 -1.23 115.64 108.72 1wb5 s THR 1057Ca 0.41 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.45 1wb5 s THR 1057Cb -0.25 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.21 1wb5 s THR 1057CO 0.31 0.00 1.78 -2.28 -0.54 0.00 0.00 174.62 173.89 1wb5 s HIS 1058N -2.64 2.51 -0.27 3.99 2.46 -1.26 -4.75 115.29 115.33 1wb5 s HIS 1058Ca 0.47 -0.94 -0.19 0.00 0.47 0.00 0.00 55.06 54.88 1wb5 s HIS 1058Cb -0.04 -4.53 0.07 0.00 -0.13 0.00 0.00 32.58 27.96 1wb5 s HIS 1058CO 0.29 -1.65 0.68 -0.46 -2.47 0.00 0.00 174.74 171.13 1wb5 s TRP 1059N 6.31 -0.92 0.57 3.88 -0.00 -1.26 -5.04 118.94 122.48 1wb5 s TRP 1059Ca 0.58 1.98 0.28 0.00 -0.00 0.00 0.00 56.10 58.94 1wb5 s TRP 1059Cb 0.02 0.46 1.49 0.00 -0.00 0.00 0.00 33.47 35.44 1wb5 s TRP 1059CO 0.08 -0.45 1.97 -1.49 -0.00 0.00 0.00 176.95 177.06 1wb5 h TRP 1060N 6.20 0.00 -0.81 5.86 4.06 -1.91 -1.34 115.95 128.00 1wb5 h TRP 1060Ca -0.30 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.74 1wb5 h TRP 1060Cb 1.20 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.30 1wb5 h TRP 1060CO 0.20 0.00 0.53 0.78 -3.56 0.00 0.00 178.44 176.39 1wb5 h GLY 1061N 0.00 1.11 0.53 1.49 0.00 -1.94 -1.75 103.07 102.52 1wb5 h GLY 1061Ca 0.22 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 1wb5 h GLY 1061CO -0.00 0.21 -1.34 -0.97 0.00 0.00 0.00 176.54 174.43 1wb5 h TYR 1062N 0.80 0.42 -0.27 5.60 0.05 -1.58 -3.41 116.97 118.59 1wb5 h TYR 1062Ca 0.37 -0.31 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1wb5 h TYR 1062Cb 0.37 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1wb5 h TYR 1062CO -0.00 1.52 0.08 0.28 -1.05 0.00 0.00 178.16 179.00 1wb5 h VAL 1063N -0.35 1.12 -0.60 -2.88 2.07 -0.96 -0.83 116.25 113.82 1wb5 h VAL 1063Ca -0.29 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1wb5 h VAL 1063Cb 1.72 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1wb5 h VAL 1063CO 0.05 0.15 0.40 0.08 0.02 0.00 0.00 177.57 178.27 1wb5 h ARG 1064N 0.37 0.42 0.00 1.57 0.11 -1.56 -0.37 114.38 114.92 1wb5 h ARG 1064Ca 0.09 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 60.08 1wb5 h ARG 1064Cb 0.12 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1wb5 h ARG 1064CO -0.01 0.28 -0.33 0.45 0.10 0.00 0.00 179.97 180.46 1wb5 h HIS 1065N 0.43 0.00 -0.67 4.08 3.86 -1.39 -2.34 115.15 119.11 1wb5 h HIS 1065Ca 0.28 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1wb5 h HIS 1065Cb 0.51 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 1wb5 h HIS 1065CO -0.00 0.33 0.19 1.88 0.86 0.00 0.00 177.93 181.19 1wb5 h TYR 1066N 0.00 1.08 -0.36 2.45 0.05 -1.08 -0.57 116.97 118.55 1wb5 h TYR 1066Ca -0.00 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1wb5 h TYR 1066Cb 0.74 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1wb5 h TYR 1066CO 0.00 0.87 0.02 0.82 -1.05 0.00 0.00 178.16 178.82 1wb5 h ILE 1067N 1.00 1.25 -0.83 -2.88 2.04 -1.38 0.47 117.51 117.18 1wb5 h ILE 1067Ca 0.22 -0.92 0.13 0.00 1.00 0.00 0.00 64.86 65.28 1wb5 h ILE 1067Cb 0.31 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 1wb5 h ILE 1067CO -0.00 0.31 0.44 0.22 0.00 0.00 0.00 178.15 179.11 1wb5 h TYR 1068N 0.44 0.78 -0.06 1.37 3.20 -1.16 0.36 116.97 121.90 1wb5 h TYR 1068Ca 0.10 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.77 1wb5 h TYR 1068Cb 0.42 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.47 1wb5 h TYR 1068CO 0.03 0.24 -0.91 -0.44 -1.64 0.00 0.00 178.16 175.44 1wb5 h ASP 1069N 0.67 0.81 0.16 -2.11 3.32 -0.80 -3.39 116.42 115.07 1wb5 h ASP 1069Ca 0.43 -0.60 -0.36 0.00 0.02 0.00 0.00 57.03 56.53 1wb5 h ASP 1069Cb 0.54 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1wb5 h ASP 1069CO -0.32 1.39 -2.05 0.00 -1.72 0.00 0.00 179.24 176.54 1wb5 n ALA 1070N -2.60 1.09 -0.10 3.45 0.00 0.13 -4.35 120.51 118.12 1wb5 n ALA 1070Ca -0.08 -0.73 0.04 0.00 0.00 0.00 0.00 53.44 52.67 1wb5 n ALA 1070Cb 0.81 -0.59 0.36 0.00 0.00 0.00 0.00 19.45 20.04 1wb5 n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wb5 h LEU 1071N 0.05 0.61 -2.51 0.00 5.85 -1.12 -0.03 115.31 118.16 1wb5 h LEU 1071Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1wb5 h LEU 1071Cb 2.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1wb5 h LEU 1071CO 0.06 0.43 0.00 -0.65 -0.34 0.00 0.00 178.44 177.94 1wb5 h PRO 1072N 0.72 0.00 0.00 5.25 0.11 -1.76 -1.85 132.00 134.47 1wb5 h PRO 1072Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1wb5 h PRO 1072Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1wb5 h PRO 1072CO -0.06 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 178.29 1wb5 n TYR 1073N -2.82 0.52 -3.19 0.65 4.02 -0.03 -4.93 117.16 111.39 1wb5 n TYR 1073Ca -0.02 0.15 -0.31 0.00 -0.01 0.00 0.00 57.90 57.71 1wb5 n TYR 1073Cb 0.06 -0.72 -0.05 0.00 -0.02 0.00 0.00 39.34 38.61 1wb5 n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1wb5 s PHE 1074N -3.07 3.43 -0.52 -0.72 0.40 -0.70 -4.57 117.98 112.24 1wb5 s PHE 1074Ca 0.11 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1wb5 s PHE 1074Cb 0.15 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.33 1wb5 s PHE 1074CO 0.60 0.11 0.00 1.19 0.70 0.00 0.00 175.22 177.82 1wb5 n PHE 1075N -0.62 -0.10 0.45 0.36 3.72 -1.26 -4.92 117.46 115.08 1wb5 n PHE 1075Ca 0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1wb5 n PHE 1075Cb 0.53 -1.46 -0.13 0.00 -0.94 0.00 0.00 39.48 37.49 1wb5 n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wb5 n HIS 1076N -3.31 0.00 -2.86 1.38 8.25 -1.26 -4.58 115.22 112.83 1wb5 n HIS 1076Ca -0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1wb5 n HIS 1076Cb 0.32 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1wb5 n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wb5 s GLU 1077N -3.09 4.42 -1.62 -0.41 0.41 -1.26 -2.97 118.70 114.17 1wb5 s GLU 1077Ca -0.00 1.13 -0.01 0.00 -0.41 0.00 0.00 54.97 55.69 1wb5 s GLU 1077Cb 0.14 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1wb5 s GLU 1077CO 0.80 -0.14 0.07 1.28 -0.49 0.00 0.00 175.26 176.78 1wb5 n LEU 1078N 4.43 -1.87 -4.83 1.80 4.77 -1.26 -4.97 117.00 115.07 1wb5 n LEU 1078Ca 0.04 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.70 1wb5 n LEU 1078Cb 0.50 -2.79 0.05 0.00 -2.33 0.00 0.00 43.42 38.84 1wb5 n LEU 1078CO 0.49 -0.15 0.71 -1.83 -1.33 0.00 0.00 177.39 175.29 1wb5 s GLU 1079N -5.13 3.01 0.04 3.23 -1.05 -1.16 -4.98 118.70 112.66 1wb5 s GLU 1079Ca 0.04 0.90 0.23 0.00 -0.15 0.00 0.00 54.97 55.98 1wb5 s GLU 1079Cb -0.02 -2.00 0.05 0.00 -0.44 0.00 0.00 34.13 31.72 1wb5 s GLU 1079CO 0.05 -1.03 1.03 0.72 0.95 0.00 0.00 175.26 176.98 1wb5 n HIS 1080N -3.08 0.21 -2.62 4.83 8.25 -1.26 -4.86 115.22 116.69 1wb5 n HIS 1080Ca 0.07 0.06 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 1wb5 n HIS 1080Cb 0.54 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1wb5 n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wb5 s HIS 1081N -3.17 3.47 -0.84 4.41 3.76 -1.26 -5.02 115.29 116.65 1wb5 s HIS 1081Ca 0.04 1.22 -0.19 0.00 -0.15 0.00 0.00 55.06 55.98 1wb5 s HIS 1081Cb 0.15 -2.59 0.12 0.00 1.11 0.00 0.00 32.58 31.37 1wb5 s HIS 1081CO 0.80 -0.24 1.03 -1.58 -0.85 0.00 0.00 174.74 173.90 1wb5 s HIS 1082N -2.52 3.05 0.12 1.40 2.46 -1.26 -5.01 115.29 113.53 1wb5 s HIS 1082Ca 0.54 -1.21 0.09 0.00 0.47 0.00 0.00 55.06 54.96 1wb5 s HIS 1082Cb -0.10 -4.23 -0.04 0.00 -0.13 0.00 0.00 32.58 28.08 1wb5 s HIS 1082CO 0.33 -1.48 -0.22 -1.01 -2.47 0.00 0.00 174.74 169.89 1wb5 s HIS 1083N 2.84 1.96 -0.28 3.88 4.02 -1.26 -5.12 115.29 121.33 1wb5 s HIS 1083Ca 0.28 -0.41 -0.01 0.00 1.02 0.00 0.00 55.06 55.93 1wb5 s HIS 1083Cb -0.09 -1.05 0.04 0.00 -1.02 0.00 0.00 32.58 30.46 1wb5 s HIS 1083CO -0.04 0.27 -0.02 -1.01 1.02 0.00 0.00 174.74 174.96 1wb5 s HIS 1084N -1.28 3.21 -0.47 1.40 3.76 -1.26 -5.16 115.29 115.50 1wb5 s HIS 1084Ca 0.10 -1.82 0.04 0.00 -0.15 0.00 0.00 55.06 53.23 1wb5 s HIS 1084Cb -0.09 -2.08 0.03 0.00 1.11 0.00 0.00 32.58 31.54 1wb5 s HIS 1084CO 0.05 -0.79 0.62 0.72 -0.85 0.00 0.00 174.74 174.49