#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 3.12 -0.05 7.33 5.36 -1.26 -5.03 117.98 127.45 1wb5 s PHE 804 Ca 0.00 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 1wb5 s PHE 804 Cb 0.00 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1wb5 s PHE 804 CO 0.00 -2.66 -0.14 0.15 -1.46 0.00 0.00 175.22 171.11 1wb5 s LYS 805 N 0.38 1.69 0.33 10.12 -0.14 -1.26 -4.43 119.74 126.42 1wb5 s LYS 805 Ca 0.63 -0.49 -0.29 0.00 -1.36 0.00 0.00 55.97 54.45 1wb5 s LYS 805 Cb -0.40 -1.43 -0.11 0.00 -1.68 0.00 0.00 37.83 34.20 1wb5 s LYS 805 CO 0.36 0.13 1.57 0.71 -0.76 0.00 0.00 175.35 177.36 1wb5 s TYR 806 N 0.34 2.67 0.20 3.18 2.02 -0.12 -5.04 117.35 120.60 1wb5 s TYR 806 Ca -0.09 0.91 0.06 0.00 -0.37 0.00 0.00 57.07 57.57 1wb5 s TYR 806 Cb -0.13 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.32 1wb5 s TYR 806 CO 0.03 -3.44 0.16 -1.21 -1.57 0.00 0.00 175.55 169.52 1wb5 s GLU 807 N -1.10 2.90 0.26 -0.62 2.02 -1.26 -4.97 118.70 115.93 1wb5 s GLU 807 Ca 0.60 -0.95 0.23 0.00 0.02 0.00 0.00 54.97 54.86 1wb5 s GLU 807 Cb -0.48 -2.61 0.18 0.00 0.10 0.00 0.00 34.13 31.33 1wb5 s GLU 807 CO 0.54 0.45 1.28 0.66 0.02 0.00 0.00 175.26 178.21 1wb5 h SER 808 N 2.02 0.00 -1.63 -0.19 4.64 -1.96 -2.66 113.55 113.77 1wb5 h SER 808 Ca -0.48 -0.03 -0.48 0.00 -0.47 0.00 0.00 61.79 60.33 1wb5 h SER 808 Cb 1.22 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.96 1wb5 h SER 808 CO 0.62 0.02 -1.01 0.00 -0.87 0.00 0.00 176.83 175.58 1wb5 n ALA 809 N -2.09 1.66 -1.76 5.18 0.00 -1.26 -1.76 120.51 120.48 1wb5 n ALA 809 Ca 0.02 -3.04 -0.41 0.00 0.00 0.00 0.00 53.44 50.01 1wb5 n ALA 809 Cb 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.14 2.15 -4.03 0.00 3.14 -1.26 -4.99 118.33 114.48 1wb5 n VAL 810 Ca 0.20 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.80 1wb5 n VAL 810 Cb 0.58 -1.89 -0.05 0.00 -1.06 0.00 0.00 33.84 31.42 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 -2.14 3.07 0.22 1.45 -1.52 -1.26 -4.95 119.66 114.53 1wb5 s GLN 811 Ca 0.55 -0.74 -0.31 0.00 -1.95 0.00 0.00 55.36 52.90 1wb5 s GLN 811 Cb -0.48 -2.77 -0.12 0.00 -0.22 0.00 0.00 33.01 29.42 1wb5 s GLN 811 CO 0.62 0.51 1.68 -0.47 -0.25 0.00 0.00 175.29 177.39 1wb5 s TYR 812 N -1.68 2.88 -0.15 0.91 5.04 -1.26 -5.00 117.35 118.09 1wb5 s TYR 812 Ca 0.32 0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 55.37 1wb5 s TYR 812 Cb -0.11 -4.11 0.08 0.00 0.35 0.00 0.00 41.96 38.17 1wb5 s TYR 812 CO 0.25 -4.08 0.29 0.50 -1.34 0.00 0.00 175.55 171.17 1wb5 s ARG 813 N 0.79 0.19 0.62 4.97 3.52 -1.26 -5.03 118.95 122.75 1wb5 s ARG 813 Ca 0.72 0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 56.87 1wb5 s ARG 813 Cb -0.49 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.78 1wb5 s ARG 813 CO 0.36 -0.33 1.19 -1.25 -0.81 0.00 0.00 175.30 174.45 1wb5 s PRO 814 N 2.45 2.84 0.57 5.12 0.04 -1.26 -4.73 135.00 140.04 1wb5 s PRO 814 Ca 0.02 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1wb5 s PRO 814 Cb -0.13 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wb5 s PRO 814 CO -0.10 -1.29 1.32 0.00 0.04 0.00 0.00 177.00 176.97 1wb5 n ALA 815 N -1.85 1.41 -1.46 8.56 0.00 -1.26 -4.95 120.51 120.96 1wb5 n ALA 815 Ca 0.13 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 1wb5 n ALA 815 Cb 0.50 -2.34 0.06 0.00 0.00 0.00 0.00 19.45 17.67 1wb5 n ALA 815 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wb5 n PRO 816 N -1.22 0.59 -0.04 0.00 -0.02 -1.26 -4.85 135.00 128.19 1wb5 n PRO 816 Ca 0.12 0.24 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1wb5 n PRO 816 Cb 0.45 -1.99 0.56 0.00 -0.02 0.00 0.00 33.50 32.50 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 0.08 0.25 0.35 2.55 3.32 -2.03 0.17 116.42 121.12 1wb5 h ASP 817 Ca -0.47 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1wb5 h ASP 817 Cb 1.36 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1wb5 h ASP 817 CO 0.47 0.15 -0.04 0.77 -1.72 0.00 0.00 179.24 178.87 1wb5 h SER 818 N 0.28 0.00 0.81 6.45 4.64 -1.97 -1.92 113.55 121.84 1wb5 h SER 818 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1wb5 h SER 818 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1wb5 h SER 818 CO -0.06 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 174.73 1wb5 n TYR 819 N -3.35 0.69 1.19 4.77 4.02 0.05 -2.66 117.16 121.86 1wb5 n TYR 819 Ca -0.02 0.26 0.13 0.00 -0.01 0.00 0.00 57.90 58.26 1wb5 n TYR 819 Cb 0.18 -0.92 0.46 0.00 -0.02 0.00 0.00 39.34 39.04 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 -2.12 0.51 -4.92 7.72 4.77 -0.72 -2.70 117.00 119.55 1wb5 n LEU 820 Ca 0.03 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 1wb5 n LEU 820 Cb 0.25 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1wb5 n LEU 820 CO 0.21 0.11 -0.11 0.20 -1.33 0.00 0.00 177.39 176.46 1wb5 s ASN 821 N -2.72 6.17 0.31 -1.43 0.01 -1.09 -4.92 114.94 111.28 1wb5 s ASN 821 Ca 0.20 0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 52.15 1wb5 s ASN 821 Cb 0.19 -1.80 -0.12 0.00 0.41 0.00 0.00 41.25 39.92 1wb5 s ASN 821 CO 0.56 0.03 1.35 -2.65 -1.51 0.00 0.00 177.10 174.88 1wb5 n PRO 822 N -0.72 2.18 -3.71 -0.60 -0.02 -1.26 -4.86 135.00 126.01 1wb5 n PRO 822 Ca -0.08 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1wb5 n PRO 822 Cb 0.55 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 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 4.84 0.00 -3.14 0.00 0.13 -1.98 -3.26 132.00 128.59 1wb5 h PRO 824 Ca -0.53 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.83 1wb5 h PRO 824 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1wb5 h PRO 824 CO 0.60 0.10 1.74 1.04 -0.23 0.00 0.00 178.00 181.24 1wb5 n GLN 825 N -3.57 4.09 -3.10 0.86 6.02 -1.26 -4.99 117.38 115.43 1wb5 n GLN 825 Ca -0.02 -3.83 -0.40 0.00 -0.01 0.00 0.00 57.00 52.75 1wb5 n GLN 825 Cb 0.23 -2.75 -0.05 0.00 1.02 0.00 0.00 30.24 28.68 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 -0.90 3.45 0.56 -1.58 0.00 -1.23 -4.64 121.76 117.42 1wb5 s ALA 826 Ca 0.40 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 1wb5 s ALA 826 Cb 0.10 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1wb5 s ALA 826 CO 0.01 -0.31 1.22 0.20 0.00 0.00 0.00 175.76 176.88 1wb5 s GLY 827 N 0.95 2.76 0.13 0.00 0.00 -1.26 -4.55 107.32 105.35 1wb5 s GLY 827 Ca 0.32 1.03 -0.30 0.00 0.00 0.00 0.00 44.72 45.78 1wb5 s GLY 827 CO 0.13 1.45 0.97 -1.60 0.00 0.00 0.00 173.10 174.05 1wb5 s ARG 828 N -3.17 4.71 -0.22 2.90 3.52 -0.88 -4.83 118.95 120.98 1wb5 s ARG 828 Ca 0.74 1.48 -0.04 0.00 -0.13 0.00 0.00 55.73 57.78 1wb5 s ARG 828 Cb -0.31 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 1wb5 s ARG 828 CO 0.35 0.24 -0.03 0.42 -0.81 0.00 0.00 175.30 175.47 1wb5 s ILE 829 N -0.16 3.57 -0.21 4.11 1.01 -1.26 -0.56 121.20 127.71 1wb5 s ILE 829 Ca 0.46 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1wb5 s ILE 829 Cb -0.24 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1wb5 s ILE 829 CO 0.30 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.93 1wb5 s VAL 830 N 1.37 3.42 -0.18 2.92 1.01 0.21 -4.93 120.40 124.23 1wb5 s VAL 830 Ca 0.04 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1wb5 s VAL 830 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1wb5 s VAL 830 CO -0.01 0.44 0.95 -0.75 0.00 0.00 0.00 175.10 175.73 1wb5 s LYS 831 N 1.26 4.31 0.16 2.72 2.47 -1.26 -0.69 119.74 128.71 1wb5 s LYS 831 Ca 0.03 1.23 0.10 0.00 -1.56 0.00 0.00 55.97 55.78 1wb5 s LYS 831 Cb -0.14 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 1wb5 s LYS 831 CO -0.02 -0.44 -0.19 -1.21 0.16 0.00 0.00 175.35 173.65 1wb5 s GLU 832 N 2.52 1.70 -0.03 4.03 0.41 -0.12 -5.00 118.70 122.21 1wb5 s GLU 832 Ca 0.43 -1.35 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 1wb5 s GLU 832 Cb -0.16 -2.00 0.01 0.00 -1.78 0.00 0.00 34.13 30.19 1wb5 s GLU 832 CO 0.11 0.44 -0.09 0.99 -0.49 0.00 0.00 175.26 176.22 1wb5 s THR 833 N -1.46 0.78 0.13 3.63 2.01 -1.26 -1.55 115.64 117.92 1wb5 s THR 833 Ca 0.20 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1wb5 s THR 833 Cb -0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1wb5 s THR 833 CO 0.11 0.25 0.14 -0.72 -0.69 0.00 0.00 174.62 173.71 1wb5 s TYR 834 N 0.35 0.60 -0.08 4.92 1.13 -0.06 -4.99 117.35 119.22 1wb5 s TYR 834 Ca -0.06 -1.00 0.05 0.00 -1.41 0.00 0.00 57.07 54.65 1wb5 s TYR 834 Cb -0.10 -0.29 -0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1wb5 s TYR 834 CO 0.01 -0.58 -0.23 0.95 -2.51 0.00 0.00 175.55 173.19 1wb5 s THR 835 N -3.99 1.96 0.00 -3.49 -4.23 -1.26 -0.84 115.64 103.80 1wb5 s THR 835 Ca 0.18 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1wb5 s THR 835 Cb 0.06 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1wb5 s THR 835 CO -0.01 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1wb5 n GLY 836 N 3.35 4.81 0.24 3.99 0.00 -0.75 -4.97 105.19 111.86 1wb5 n GLY 836 Ca -0.19 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.43 -0.61 3.07 -1.96 -0.83 117.51 116.75 1wb5 h ILE 837 Ca 0.00 -0.21 -0.13 0.00 1.55 0.00 0.00 64.86 66.07 1wb5 h ILE 837 Cb 0.00 1.05 -0.08 0.00 -0.27 0.00 0.00 36.82 37.53 1wb5 h ILE 837 CO 0.00 0.00 0.06 0.59 -1.05 0.00 0.00 178.15 177.75 1wb5 n ASN 838 N -2.74 3.64 0.00 2.16 3.02 -1.26 -4.82 115.26 115.26 1wb5 n ASN 838 Ca -0.00 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 1wb5 n ASN 838 Cb 0.17 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.66 -1.80 3.69 7.41 0.00 -0.32 -3.47 105.19 110.04 1wb5 n GLY 839 Ca 0.31 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 4.87 0.17 2.61 2.01 -1.26 -1.81 115.64 122.23 1wb5 s THR 840 Ca 0.00 1.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.77 1wb5 s THR 840 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 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 1.71 1.14 0.27 4.92 1.02 -0.02 -4.98 119.74 123.81 1wb5 s LYS 841 Ca 0.44 -1.37 0.07 0.00 0.02 0.00 0.00 55.97 55.13 1wb5 s LYS 841 Cb -0.18 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1wb5 s LYS 841 CO 0.18 -0.39 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.02 1wb5 s SER 842 N -3.04 2.83 0.20 2.83 0.01 -1.26 -0.89 113.70 114.37 1wb5 s SER 842 Ca 0.25 -1.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.19 1wb5 s SER 842 Cb 0.05 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1wb5 s SER 842 CO 0.04 -0.30 0.49 -1.48 0.41 0.00 0.00 173.24 172.40 1wb5 s LEU 843 N -3.44 0.21 -0.00 2.44 0.05 -0.59 -4.31 118.68 113.04 1wb5 s LEU 843 Ca 0.29 -0.57 0.04 0.00 0.05 0.00 0.00 54.13 53.94 1wb5 s LEU 843 Cb 0.03 2.00 -0.03 0.00 -2.05 0.00 0.00 46.19 46.13 1wb5 s LEU 843 CO 0.12 -1.04 -0.09 0.20 -0.55 0.00 0.00 176.35 174.99 1wb5 s ASN 844 N -2.90 4.47 -0.21 1.48 0.01 -0.78 -0.95 114.94 116.06 1wb5 s ASN 844 Ca 0.11 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1wb5 s ASN 844 Cb -0.00 -1.00 0.02 0.00 0.41 0.00 0.00 41.25 40.67 1wb5 s ASN 844 CO -0.02 0.29 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.03 1wb5 s VAL 845 N -0.95 2.34 -0.21 1.60 1.01 0.13 -0.81 120.40 123.50 1wb5 s VAL 845 Ca 0.16 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1wb5 s VAL 845 Cb -0.11 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1wb5 s VAL 845 CO 0.06 0.38 0.74 -0.47 0.00 0.00 0.00 175.10 175.82 1wb5 s TYR 846 N 1.28 3.35 -0.12 5.22 6.14 0.66 -0.61 117.35 133.26 1wb5 s TYR 846 Ca 0.02 1.05 -0.05 0.00 0.64 0.00 0.00 57.07 58.74 1wb5 s TYR 846 Cb -0.15 -2.94 -0.04 0.00 0.42 0.00 0.00 41.96 39.26 1wb5 s TYR 846 CO -0.09 -0.29 0.05 -0.51 0.64 0.00 0.00 175.55 175.35 1wb5 s LEU 847 N 2.37 3.84 0.69 6.97 1.43 0.28 -1.71 118.68 132.55 1wb5 s LEU 847 Ca 0.32 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 1wb5 s LEU 847 Cb -0.16 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1wb5 s LEU 847 CO 0.10 0.32 1.13 -2.16 0.23 0.00 0.00 176.35 175.96 1wb5 s PRO 848 N -0.52 2.57 0.23 1.29 0.04 -1.25 -2.08 135.00 135.28 1wb5 s PRO 848 Ca 0.10 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 62.27 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 0.02 -1.44 1.68 0.98 0.04 0.00 0.00 177.00 178.28 1wb5 n TYR 849 N -2.63 2.76 -0.89 0.56 9.36 -1.26 -1.25 117.16 123.80 1wb5 n TYR 849 Ca 0.11 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1wb5 n TYR 849 Cb 0.52 -2.65 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 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 3.42 0.58 3.64 2.98 0.00 -1.26 -4.98 105.19 109.58 1wb5 n GLY 850 Ca 0.14 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 1.51 -3.97 1.61 9.36 -0.38 -4.95 117.16 117.51 1wb5 n TYR 851 Ca 0.00 0.85 -0.31 0.00 3.32 0.00 0.00 57.90 61.76 1wb5 n TYR 851 Cb 0.00 -2.28 -0.16 0.00 -0.63 0.00 0.00 39.34 36.27 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 1.85 3.77 0.05 2.98 -1.08 -1.26 -5.01 116.67 117.96 1wb5 s ASP 852 Ca 0.95 -1.10 0.08 0.00 -0.52 0.00 0.00 52.55 51.96 1wb5 s ASP 852 Cb -1.21 -1.24 0.37 0.00 -1.46 0.00 0.00 42.92 39.38 1wb5 s ASP 852 CO 0.64 -0.20 1.25 -0.81 0.52 0.00 0.00 175.17 176.57 1wb5 n PRO 853 N 4.65 0.03 -0.12 4.34 -0.04 -1.26 -1.17 135.00 141.42 1wb5 n PRO 853 Ca -0.13 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1wb5 n PRO 853 Cb 0.45 -1.57 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 1wb5 n PRO 853 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wb5 n ASN 854 N -1.62 2.07 -4.83 3.54 2.85 -1.26 -4.76 115.26 111.24 1wb5 n ASN 854 Ca 0.01 -1.82 -0.21 0.00 -0.11 0.00 0.00 54.58 52.45 1wb5 n ASN 854 Cb 0.07 -0.16 -0.04 0.00 1.24 0.00 0.00 39.78 40.88 1wb5 n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1wb5 s LYS 855 N -1.67 2.60 -0.13 1.20 1.02 -0.31 -5.13 119.74 117.32 1wb5 s LYS 855 Ca 0.32 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 1wb5 s LYS 855 Cb 0.18 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1wb5 s LYS 855 CO 0.25 0.02 -0.11 0.15 -0.92 0.00 0.00 175.35 174.75 1wb5 s LYS 856 N -4.00 3.36 -0.03 1.68 1.02 -1.26 -4.74 119.74 115.78 1wb5 s LYS 856 Ca 0.42 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.82 1wb5 s LYS 856 Cb -0.04 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1wb5 s LYS 856 CO 0.26 0.26 -0.19 0.71 -0.92 0.00 0.00 175.35 175.47 1wb5 s TYR 857 N 0.24 2.55 0.76 3.18 1.51 -0.61 -4.89 117.35 120.08 1wb5 s TYR 857 Ca -0.07 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1wb5 s TYR 857 Cb -0.15 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1wb5 s TYR 857 CO 0.05 0.12 0.58 0.09 -1.11 0.00 0.00 175.55 175.27 1wb5 n ASN 858 N 2.26 -1.07 -3.86 2.29 5.03 -1.26 -3.74 115.26 114.90 1wb5 n ASN 858 Ca -0.17 0.56 -0.15 0.00 0.87 0.00 0.00 54.58 55.69 1wb5 n ASN 858 Cb 0.52 -1.25 -0.15 0.00 -1.02 0.00 0.00 39.78 37.88 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 -1.99 0.16 -0.14 2.41 2.07 -0.76 -1.33 121.20 121.62 1wb5 s ILE 859 Ca 0.65 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.90 1wb5 s ILE 859 Cb -0.32 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.09 1wb5 s ILE 859 CO 0.58 0.09 -0.09 0.12 -1.91 0.00 0.00 174.94 173.73 1wb5 s PHE 860 N 0.50 1.81 -0.15 3.50 5.36 -0.31 -1.04 117.98 127.66 1wb5 s PHE 860 Ca -0.05 -1.02 -0.11 0.00 -0.96 0.00 0.00 56.93 54.79 1wb5 s PHE 860 Cb -0.07 -1.39 -0.05 0.00 -0.34 0.00 0.00 43.02 41.16 1wb5 s PHE 860 CO -0.01 -0.60 0.22 0.71 -1.46 0.00 0.00 175.22 174.08 1wb5 s TYR 861 N 1.60 3.50 -0.09 10.12 1.51 -0.22 -1.12 117.35 132.66 1wb5 s TYR 861 Ca 0.04 0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1wb5 s TYR 861 Cb -0.13 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1wb5 s TYR 861 CO -0.09 0.40 0.00 -1.17 -1.11 0.00 0.00 175.55 173.58 1wb5 s LEU 862 N -0.03 0.66 -0.15 -1.29 2.96 0.09 -0.48 118.68 120.45 1wb5 s LEU 862 Ca 0.14 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 1wb5 s LEU 862 Cb -0.13 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 1wb5 s LEU 862 CO 0.03 -0.21 0.14 -0.32 -1.32 0.00 0.00 176.35 174.68 1wb5 s MET 863 N 1.96 3.78 1.22 1.98 -2.45 0.16 -4.01 119.30 121.94 1wb5 s MET 863 Ca 0.04 -0.15 -0.18 0.00 -1.25 0.00 0.00 55.69 54.15 1wb5 s MET 863 Cb -0.13 -3.29 0.29 0.00 1.25 0.00 0.00 34.83 32.95 1wb5 s MET 863 CO -0.06 0.57 1.05 -3.38 1.05 0.00 0.00 175.02 174.25 1wb5 s HIS 864 N -0.42 0.60 0.40 4.11 -3.43 -1.26 -1.53 115.29 113.76 1wb5 s HIS 864 Ca 0.12 0.68 0.06 0.00 -0.80 0.00 0.00 55.06 55.12 1wb5 s HIS 864 Cb -0.12 -3.24 0.07 0.00 -1.43 0.00 0.00 32.58 27.86 1wb5 s HIS 864 CO 0.02 -4.00 0.56 0.41 -2.00 0.00 0.00 174.74 169.72 1wb5 n GLY 865 N -0.19 1.83 3.77 -1.38 0.00 -1.21 -2.45 105.19 105.57 1wb5 n GLY 865 Ca 0.10 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1wb5 n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wb5 s GLY 866 N -3.82 2.87 0.00 -0.02 0.00 -1.26 -2.22 107.32 102.87 1wb5 s GLY 866 Ca 0.42 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.62 1wb5 s GLY 866 CO 0.26 2.19 0.00 0.61 0.00 0.00 0.00 173.10 176.17 1wb5 n GLY 867 N 0.76 0.89 2.15 0.20 0.00 -1.26 -5.00 105.19 102.92 1wb5 n GLY 867 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.19 1.00 -3.44 1.61 1.02 -0.94 -5.16 120.64 112.55 1wb5 n GLU 868 Ca 0.00 -1.91 -0.11 0.00 -0.02 0.00 0.00 57.16 55.12 1wb5 n GLU 868 Cb 0.00 0.17 -0.02 0.00 -0.02 0.00 0.00 31.44 31.57 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 -2.00 -1.17 0.21 1.62 0.23 -1.26 -4.93 115.26 107.96 1wb5 n ASN 869 Ca 0.00 -2.47 0.14 0.00 -0.53 0.00 0.00 54.58 51.72 1wb5 n ASN 869 Cb 0.35 2.14 0.75 0.00 -2.08 0.00 0.00 39.78 40.94 1wb5 n ASN 869 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1wb5 h GLU 870 N 0.00 0.00 0.00 -3.83 9.09 -1.84 -1.96 114.58 116.04 1wb5 h GLU 870 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 1wb5 h GLU 870 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1wb5 h GLU 870 CO 0.30 0.00 -0.85 0.09 0.05 0.00 0.00 179.01 178.60 1wb5 n ASN 871 N -2.47 0.70 -0.02 3.06 3.02 -1.26 -4.34 115.26 113.94 1wb5 n ASN 871 Ca -0.02 -0.50 -0.11 0.00 -0.03 0.00 0.00 54.58 53.92 1wb5 n ASN 871 Cb 0.06 0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 39.87 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 1.13 -0.11 3.41 2.02 -1.75 -2.22 112.91 115.39 1wb5 h THR 872 Ca 0.00 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1wb5 h THR 872 Cb 0.57 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1wb5 h THR 872 CO 0.00 0.12 -0.18 0.40 0.37 0.00 0.00 175.52 176.23 1wb5 h ILE 873 N 0.05 1.19 -0.58 3.11 2.04 -1.82 -1.54 117.51 119.96 1wb5 h ILE 873 Ca 0.04 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1wb5 h ILE 873 Cb 0.14 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1wb5 h ILE 873 CO -0.00 0.26 0.00 0.49 0.00 0.00 0.00 178.15 178.89 1wb5 n PHE 874 N -4.25 0.77 -1.92 1.37 3.72 -1.19 -2.39 117.46 113.58 1wb5 n PHE 874 Ca -0.01 -0.39 -0.29 0.00 -0.05 0.00 0.00 57.45 56.71 1wb5 n PHE 874 Cb 0.29 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.09 4.03 0.57 4.37 1.04 -0.58 -4.65 113.70 117.39 1wb5 s SER 875 Ca 0.41 0.60 0.38 0.00 0.48 0.00 0.00 55.95 57.82 1wb5 s SER 875 Cb 0.22 -0.93 1.99 0.00 0.10 0.00 0.00 66.02 67.39 1wb5 s SER 875 CO 0.29 -2.19 2.15 0.78 0.98 0.00 0.00 173.24 175.25 1wb5 h ASN 876 N -1.25 0.00 1.08 7.02 2.35 -1.90 0.28 115.58 123.16 1wb5 h ASN 876 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1wb5 h ASN 876 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1wb5 h ASN 876 CO 0.56 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.81 1wb5 n ASP 877 N -2.87 0.20 0.04 5.81 8.00 -1.26 -4.52 116.55 121.95 1wb5 n ASP 877 Ca -0.02 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1wb5 n ASP 877 Cb 0.10 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.69 0.13 -2.80 2.53 0.31 -0.80 -4.72 118.33 111.28 1wb5 n VAL 878 Ca 0.06 0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.27 1wb5 n VAL 878 Cb 0.35 -0.85 0.03 0.00 -0.91 0.00 0.00 33.84 32.45 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 -2.93 -3.59 0.05 5.55 5.02 0.02 -4.90 118.16 117.39 1wb5 n LYS 879 Ca 0.00 0.70 0.08 0.00 -2.02 0.00 0.00 58.31 57.07 1wb5 n LYS 879 Cb 0.12 -5.11 0.53 0.00 -0.02 0.00 0.00 35.03 30.55 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 -1.00 0.27 -1.95 -0.35 5.85 -1.75 -1.82 115.31 114.56 1wb5 h LEU 880 Ca -0.40 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1wb5 h LEU 880 Cb 1.28 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1wb5 h LEU 880 CO 0.43 0.19 0.09 0.06 -0.34 0.00 0.00 178.44 178.87 1wb5 h GLN 881 N 0.32 0.06 -0.37 1.25 -0.00 -1.90 -0.59 115.11 113.87 1wb5 h GLN 881 Ca 0.15 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.70 1wb5 h GLN 881 Cb 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.65 1wb5 h GLN 881 CO -0.03 0.04 -0.14 -0.91 -0.00 0.00 0.00 178.83 177.79 1wb5 h ASN 882 N 0.06 0.76 -0.32 0.06 2.35 -1.58 0.88 115.58 117.78 1wb5 h ASN 882 Ca 0.06 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1wb5 h ASN 882 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1wb5 h ASN 882 CO -0.01 0.98 0.15 0.40 -1.65 0.00 0.00 177.43 177.31 1wb5 h ILE 883 N 0.54 1.16 -0.22 2.81 2.04 -1.12 -1.46 117.51 121.26 1wb5 h ILE 883 Ca 0.09 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1wb5 h ILE 883 Cb 0.67 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1wb5 h ILE 883 CO 0.05 0.16 0.07 -0.07 0.00 0.00 0.00 178.15 178.36 1wb5 h LEU 884 N 0.38 0.08 -0.21 1.44 3.38 -1.02 -0.16 115.31 119.21 1wb5 h LEU 884 Ca 0.11 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wb5 h LEU 884 Cb 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wb5 h LEU 884 CO -0.01 0.08 0.11 0.44 0.09 0.00 0.00 178.44 179.15 1wb5 h ASP 885 N 0.18 0.18 -0.57 -0.43 3.32 -0.68 -0.91 116.42 117.51 1wb5 h ASP 885 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1wb5 h ASP 885 Cb 0.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1wb5 h ASP 885 CO -0.10 0.14 -0.03 0.45 -1.72 0.00 0.00 179.24 177.97 1wb5 h HIS 886 N 0.24 1.12 -0.55 4.55 3.86 -1.12 -1.05 115.15 122.21 1wb5 h HIS 886 Ca 0.08 -0.21 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 1wb5 h HIS 886 Cb 0.00 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1wb5 h HIS 886 CO -0.08 1.02 -0.08 0.00 0.86 0.00 0.00 177.93 179.64 1wb5 h ALA 887 N 0.96 0.75 -0.30 2.45 0.00 -0.76 -1.23 119.26 121.13 1wb5 h ALA 887 Ca 0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1wb5 h ALA 887 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wb5 h ALA 887 CO 0.04 0.65 -0.10 0.82 0.00 0.00 0.00 179.25 180.66 1wb5 h ILE 888 N 0.91 1.29 -0.58 0.00 2.04 -1.08 -1.22 117.51 118.87 1wb5 h ILE 888 Ca 0.15 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1wb5 h ILE 888 Cb 0.65 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1wb5 h ILE 888 CO 0.04 0.37 0.26 -0.03 0.00 0.00 0.00 178.15 178.80 1wb5 h MET 889 N 0.37 0.82 -0.00 2.37 4.05 -1.06 -2.22 114.93 119.25 1wb5 h MET 889 Ca 0.07 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1wb5 h MET 889 Cb 0.60 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1wb5 h MET 889 CO 0.03 0.65 -0.13 0.09 0.23 0.00 0.00 176.91 177.79 1wb5 n ASN 890 N -4.35 0.55 0.00 1.39 3.02 -0.48 -4.93 115.26 110.47 1wb5 n ASN 890 Ca 0.05 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1wb5 n ASN 890 Cb 0.14 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1wb5 n ASN 890 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb5 n GLY 891 N 1.28 0.69 0.17 7.41 0.00 -0.83 -4.92 105.19 108.99 1wb5 n GLY 891 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 2.22 0.12 -4.19 1.61 5.08 -1.50 -3.39 114.58 114.54 1wb5 h GLU 892 Ca 0.00 -0.07 -0.47 0.00 -1.00 0.00 0.00 59.36 57.82 1wb5 h GLU 892 Cb 0.00 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 28.91 1wb5 h GLU 892 CO 0.00 0.62 -0.79 -1.17 -1.00 0.00 0.00 179.01 176.67 1wb5 s LEU 893 N -7.94 1.31 0.43 1.33 2.96 -1.08 -4.75 118.68 110.94 1wb5 s LEU 893 Ca -0.03 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 1wb5 s LEU 893 Cb 0.13 -0.65 -0.08 0.00 0.50 0.00 0.00 46.19 46.09 1wb5 s LEU 893 CO 0.77 -0.06 1.22 -1.61 -1.32 0.00 0.00 176.35 175.35 1wb5 s GLU 894 N 1.14 3.86 0.34 1.98 2.02 -1.26 -4.06 118.70 122.72 1wb5 s GLU 894 Ca -0.07 1.93 -0.29 0.00 0.02 0.00 0.00 54.97 56.57 1wb5 s GLU 894 Cb -0.14 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.40 1wb5 s GLU 894 CO -0.01 -0.51 1.46 -0.35 0.02 0.00 0.00 175.26 175.87 1wb5 n PRO 895 N -0.18 2.50 -3.85 0.39 -0.04 -1.26 -4.97 135.00 127.58 1wb5 n PRO 895 Ca 0.06 0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 64.30 1wb5 n PRO 895 Cb 0.46 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 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 -1.24 0.57 -0.07 1.53 2.34 -1.26 -4.43 118.68 116.11 1wb5 s LEU 896 Ca 0.58 -0.68 -0.17 0.00 0.06 0.00 0.00 54.13 53.91 1wb5 s LEU 896 Cb -0.52 1.63 -0.05 0.00 -0.56 0.00 0.00 46.19 46.69 1wb5 s LEU 896 CO 0.58 -0.96 0.46 -0.63 -1.06 0.00 0.00 176.35 174.74 1wb5 s ILE 897 N -3.92 5.11 -0.13 1.48 1.01 -0.44 -3.86 121.20 120.46 1wb5 s ILE 897 Ca 0.13 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.74 1wb5 s ILE 897 Cb 0.01 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.70 1wb5 s ILE 897 CO -0.02 0.41 -0.21 -0.69 0.00 0.00 0.00 174.94 174.43 1wb5 s VAL 898 N 0.06 1.97 -0.13 2.92 1.01 -0.70 -1.16 120.40 124.37 1wb5 s VAL 898 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1wb5 s VAL 898 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1wb5 s VAL 898 CO 0.12 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.93 1wb5 s VAL 899 N 0.74 3.04 -0.45 2.92 1.01 -0.27 -0.25 120.40 127.14 1wb5 s VAL 899 Ca -0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1wb5 s VAL 899 Cb -0.16 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.07 1wb5 s VAL 899 CO 0.00 0.53 0.23 0.42 0.00 0.00 0.00 175.10 176.28 1wb5 s THR 900 N 0.29 3.08 0.00 3.92 -4.23 0.01 -0.73 115.64 117.98 1wb5 s THR 900 Ca -0.10 -2.45 0.00 0.00 -1.18 0.00 0.00 61.69 57.96 1wb5 s THR 900 Cb -0.16 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1wb5 s THR 900 CO 0.06 -0.72 0.00 -0.81 -0.54 0.00 0.00 174.62 172.60 1wb5 n PRO 901 N 4.12 1.09 -3.99 3.99 -0.04 -1.26 -1.87 135.00 137.05 1wb5 n PRO 901 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 1wb5 n PRO 901 Cb 0.40 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.46 0.20 -2.20 0.52 -1.32 -1.26 -4.14 115.64 107.90 1wb5 s THR 902 Ca 0.00 -0.74 0.18 0.00 -1.21 0.00 0.00 61.69 59.93 1wb5 s THR 902 Cb 0.00 -0.29 0.42 0.00 -1.51 0.00 0.00 72.50 71.12 1wb5 s THR 902 CO 0.00 -0.34 1.44 2.22 -2.21 0.00 0.00 174.62 175.72 1wb5 n PHE 903 N 1.93 0.39 -1.93 9.09 1.16 -1.26 -4.92 117.46 121.91 1wb5 n PHE 903 Ca -0.21 -0.19 -0.30 0.00 -1.87 0.00 0.00 57.45 54.88 1wb5 n PHE 903 Cb 0.56 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.46 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 -1.34 5.80 0.00 5.98 0.01 -1.26 -3.29 114.94 120.84 1wb5 s ASN 904 Ca 0.32 1.22 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1wb5 s ASN 904 Cb 0.17 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1wb5 s ASN 904 CO 0.24 -1.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 1wb5 n GLY 905 N -2.86 2.09 7.00 0.66 0.00 -1.26 -4.77 105.19 106.05 1wb5 n GLY 905 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 2.13 3.22 0.47 -0.02 0.00 -1.23 -0.91 105.19 108.85 1wb5 n GLY 906 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 3.29 1.42 -4.77 1.61 4.13 -1.26 -4.97 115.26 114.71 1wb5 n ASN 907 Ca 0.00 -1.64 -0.38 0.00 1.68 0.00 0.00 54.58 54.24 1wb5 n ASN 907 Cb 0.00 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 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 -1.44 0.23 0.37 0.00 -4.23 -1.21 -4.51 115.64 104.85 1wb5 s THR 909 Ca 0.54 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1wb5 s THR 909 Cb -0.28 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.53 1wb5 s THR 909 CO 0.35 -0.22 1.97 0.00 -0.54 0.00 0.00 174.62 176.19 1wb5 h ALA 910 N 2.67 1.73 -0.15 3.99 0.00 -1.91 -1.47 119.26 124.12 1wb5 h ALA 910 Ca -0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wb5 h ALA 910 Cb 1.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wb5 h ALA 910 CO 0.58 0.17 -0.19 0.37 0.00 0.00 0.00 179.25 180.18 1wb5 h GLN 911 N 0.70 0.40 -0.11 0.00 4.15 -1.91 -3.33 115.11 115.01 1wb5 h GLN 911 Ca 0.29 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1wb5 h GLN 911 Cb 0.24 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1wb5 h GLN 911 CO -0.09 0.79 0.00 0.27 -1.93 0.00 0.00 178.83 177.87 1wb5 n ASN 912 N -4.50 2.75 -0.04 -0.69 0.23 -1.05 -4.48 115.26 107.48 1wb5 n ASN 912 Ca -0.06 -1.89 0.14 0.00 -0.53 0.00 0.00 54.58 52.23 1wb5 n ASN 912 Cb 0.39 -0.06 0.56 0.00 -2.08 0.00 0.00 39.78 38.59 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 4.08 0.29 -0.84 -2.53 3.57 -1.41 -1.98 116.94 118.13 1wb5 h PHE 913 Ca 0.00 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.74 1wb5 h PHE 913 Cb 0.88 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1wb5 h PHE 913 CO 0.06 0.14 0.59 0.10 -2.23 0.00 0.00 178.31 176.97 1wb5 h TYR 914 N 0.27 0.13 -0.24 0.41 -0.00 -1.87 -0.32 116.97 115.36 1wb5 h TYR 914 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.95 1wb5 h TYR 914 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 1wb5 h TYR 914 CO -0.00 0.03 -0.00 0.37 -0.00 0.00 0.00 178.16 178.56 1wb5 h GLN 915 N 0.09 0.42 -0.45 0.10 5.75 -1.72 -1.35 115.11 117.96 1wb5 h GLN 915 Ca 0.41 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 1wb5 h GLN 915 Cb 1.47 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.96 1wb5 h GLN 915 CO -0.05 0.60 -0.00 1.49 -2.65 0.00 0.00 178.83 178.22 1wb5 h GLU 916 N 0.19 0.73 -0.20 1.69 4.81 -1.47 -2.09 114.58 118.24 1wb5 h GLU 916 Ca 0.07 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1wb5 h GLU 916 Cb 0.41 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1wb5 h GLU 916 CO 0.01 0.74 -0.06 0.35 -0.73 0.00 0.00 179.01 179.32 1wb5 h PHE 917 N 0.68 -0.14 -0.19 0.92 3.57 -0.89 0.57 116.94 121.47 1wb5 h PHE 917 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1wb5 h PHE 917 Cb 0.42 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1wb5 h PHE 917 CO 0.02 -0.11 0.04 0.00 -2.23 0.00 0.00 178.31 176.04 1wb5 h ARG 918 N -0.02 0.30 0.04 1.11 3.08 -1.06 -1.91 114.38 115.92 1wb5 h ARG 918 Ca 0.10 -0.07 -0.30 0.00 0.07 0.00 0.00 59.98 59.78 1wb5 h ARG 918 Cb 0.18 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1wb5 h ARG 918 CO -0.22 0.44 -1.64 1.96 -1.07 0.00 0.00 179.97 179.44 1wb5 h GLN 919 N 0.11 0.09 0.00 0.04 4.20 -1.28 -3.42 115.11 114.84 1wb5 h GLN 919 Ca 0.06 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1wb5 h GLN 919 Cb 0.27 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1wb5 h GLN 919 CO 0.00 0.78 -1.13 0.09 -0.67 0.00 0.00 178.83 177.89 1wb5 n ASN 920 N -3.22 1.00 0.01 1.46 5.03 0.09 -4.65 115.26 114.98 1wb5 n ASN 920 Ca -0.17 0.02 -0.13 0.00 0.87 0.00 0.00 54.58 55.17 1wb5 n ASN 920 Cb 1.04 -0.06 -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 -0.07 1.27 0.18 2.41 2.07 -1.20 -1.50 116.25 119.41 1wb5 h VAL 921 Ca -0.06 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1wb5 h VAL 921 Cb 1.06 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1wb5 h VAL 921 CO -0.03 0.27 -0.09 0.40 0.02 0.00 0.00 177.57 178.14 1wb5 h ILE 922 N -0.55 0.86 -0.89 4.57 2.04 -1.59 -0.84 117.51 121.11 1wb5 h ILE 922 Ca -0.01 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1wb5 h ILE 922 Cb 0.49 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1wb5 h ILE 922 CO 0.01 0.04 0.59 -0.65 0.00 0.00 0.00 178.15 178.14 1wb5 h PRO 923 N -0.32 1.14 0.19 2.37 0.11 -1.81 0.25 132.00 133.94 1wb5 h PRO 923 Ca -0.02 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1wb5 h PRO 923 Cb 0.25 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1wb5 h PRO 923 CO 0.04 0.76 -0.09 0.35 -0.21 0.00 0.00 178.00 178.85 1wb5 h PHE 924 N 1.18 -0.24 -0.19 0.65 3.57 -0.99 -2.16 116.94 118.76 1wb5 h PHE 924 Ca 0.34 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 1wb5 h PHE 924 Cb -0.09 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1wb5 h PHE 924 CO -0.00 0.01 -0.17 0.28 -2.23 0.00 0.00 178.31 176.20 1wb5 h VAL 925 N -0.46 1.33 -0.00 1.41 2.07 -1.02 -3.16 116.25 116.41 1wb5 h VAL 925 Ca -0.03 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1wb5 h VAL 925 Cb 0.35 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1wb5 h VAL 925 CO 0.04 0.40 -0.22 -0.62 0.02 0.00 0.00 177.57 177.19 1wb5 n GLU 926 N -4.49 0.31 0.09 1.57 1.02 0.06 -1.42 120.64 117.78 1wb5 n GLU 926 Ca -0.05 -0.12 -0.02 0.00 -0.02 0.00 0.00 57.16 56.95 1wb5 n GLU 926 Cb 0.38 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.29 0.00 0.22 1.62 4.64 -1.43 -3.38 113.55 115.51 1wb5 h SER 927 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1wb5 h SER 927 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1wb5 h SER 927 CO 0.00 0.73 -1.76 0.50 -0.87 0.00 0.00 176.83 175.42 1wb5 h LYS 928 N 0.00 0.36 -6.24 4.77 3.64 -1.39 -3.48 116.57 114.22 1wb5 h LYS 928 Ca -0.03 -0.61 -0.59 0.00 -1.27 0.00 0.00 60.65 58.14 1wb5 h LYS 928 Cb 1.58 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 33.51 1wb5 h LYS 928 CO 0.09 1.27 -0.72 0.71 -2.27 0.00 0.00 179.45 178.54 1wb5 s TYR 929 N -2.58 2.47 -0.63 1.91 2.02 -0.51 -5.08 117.35 114.95 1wb5 s TYR 929 Ca -0.16 -0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.07 1wb5 s TYR 929 Cb 0.06 -1.10 0.10 0.00 -0.40 0.00 0.00 41.96 40.62 1wb5 s TYR 929 CO 0.84 0.66 0.77 -1.12 -1.57 0.00 0.00 175.55 175.13 1wb5 s SER 930 N -3.48 6.23 0.00 2.29 0.01 -1.26 -4.60 113.70 112.88 1wb5 s SER 930 Ca 0.30 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1wb5 s SER 930 Cb -0.06 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1wb5 s SER 930 CO 0.17 -1.15 0.00 0.35 0.41 0.00 0.00 173.24 173.02 1wb5 n THR 931 N 5.55 0.00 1.21 1.44 -2.24 -1.26 -1.58 114.28 117.40 1wb5 n THR 931 Ca -0.06 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1wb5 n THR 931 Cb 0.43 -0.64 0.69 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.41 0.00 -2.12 4.78 4.02 -1.25 -4.39 117.16 117.79 1wb5 n TYR 932 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1wb5 n TYR 932 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 39.34 38.91 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 -2.77 3.13 0.27 -0.72 0.00 -1.26 -4.74 121.76 115.66 1wb5 s ALA 933 Ca 0.21 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1wb5 s ALA 933 Cb 0.19 -3.91 0.34 0.00 0.00 0.00 0.00 23.12 19.75 1wb5 s ALA 933 CO 0.49 -2.20 1.62 0.93 0.00 0.00 0.00 175.76 176.59 1wb5 h GLU 934 N 11.30 0.15 -4.45 0.00 5.08 -1.85 -3.45 114.58 121.36 1wb5 h GLU 934 Ca -0.33 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 57.73 1wb5 h GLU 934 Cb 1.15 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 1wb5 h GLU 934 CO 1.02 0.67 -0.55 -1.54 -1.00 0.00 0.00 179.01 177.61 1wb5 s SER 935 N -6.88 0.13 -0.27 1.42 1.04 -1.26 -5.07 113.70 102.81 1wb5 s SER 935 Ca -0.03 -1.31 0.11 0.00 0.48 0.00 0.00 55.95 55.20 1wb5 s SER 935 Cb 0.13 0.40 0.53 0.00 0.10 0.00 0.00 66.02 67.18 1wb5 s SER 935 CO 0.78 -0.87 1.49 0.35 0.98 0.00 0.00 173.24 175.97 1wb5 n THR 936 N -0.27 2.52 -1.12 2.02 -2.24 -1.26 -3.67 114.28 110.26 1wb5 n THR 936 Ca 0.01 -2.38 -0.30 0.00 -2.27 0.00 0.00 64.05 59.11 1wb5 n THR 936 Cb 0.65 -0.31 0.14 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.11 2.70 0.31 4.28 -4.23 -1.26 -4.76 115.64 109.57 1wb5 s THR 937 Ca 0.45 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1wb5 s THR 937 Cb 0.39 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.90 1wb5 s THR 937 CO 0.04 -0.30 1.82 -0.65 -0.54 0.00 0.00 174.62 174.99 1wb5 h PRO 938 N -1.56 0.80 -0.53 3.99 0.11 -1.98 -0.84 132.00 131.98 1wb5 h PRO 938 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1wb5 h PRO 938 Cb 1.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1wb5 h PRO 938 CO 0.52 0.53 0.13 1.96 -0.21 0.00 0.00 178.00 180.93 1wb5 h GLN 939 N 0.82 0.85 -0.44 1.05 7.50 -1.94 -0.08 115.11 122.87 1wb5 h GLN 939 Ca 0.52 -0.21 -0.09 0.00 0.50 0.00 0.00 58.65 59.37 1wb5 h GLN 939 Cb 0.73 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 1wb5 h GLN 939 CO -0.29 0.81 -0.09 0.78 -1.50 0.00 0.00 178.83 178.54 1wb5 h GLY 940 N 0.75 0.85 0.72 3.46 0.00 -1.50 -0.75 103.07 106.59 1wb5 h GLY 940 Ca 0.17 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1wb5 h GLY 940 CO 0.00 0.57 -0.04 -2.22 0.00 0.00 0.00 176.54 174.85 1wb5 h ILE 941 N 0.71 1.31 -0.56 2.60 2.04 -1.05 -3.11 117.51 119.45 1wb5 h ILE 941 Ca 0.12 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1wb5 h ILE 941 Cb 0.56 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1wb5 h ILE 941 CO 0.03 0.30 0.21 0.00 0.00 0.00 0.00 178.15 178.69 1wb5 h ALA 942 N 0.67 1.32 0.00 1.87 0.00 -0.90 -1.88 119.26 120.34 1wb5 h ALA 942 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wb5 h ALA 942 Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wb5 h ALA 942 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1wb5 n ALA 943 N -2.46 1.59 -0.60 0.00 0.00 -0.30 -2.62 120.51 116.12 1wb5 n ALA 943 Ca 0.04 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1wb5 n ALA 943 Cb 0.17 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.42 1wb5 n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wb5 n SER 944 N -2.15 2.89 0.24 0.00 3.41 -0.72 -4.78 113.62 112.51 1wb5 n SER 944 Ca 0.02 -2.57 0.11 0.00 -0.26 0.00 0.00 58.87 56.17 1wb5 n SER 944 Cb 0.20 -0.33 0.71 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.06 0.00 0.00 4.33 0.11 -1.32 -1.69 114.38 116.86 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 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.81 1wb5 n MET 946 N -4.36 0.03 -0.50 0.08 2.81 -1.26 -2.21 117.12 111.72 1wb5 n MET 946 Ca -0.02 0.33 0.05 0.00 -1.81 0.00 0.00 57.70 56.26 1wb5 n MET 946 Cb 0.14 -1.57 0.19 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.63 0.28 -4.18 2.03 8.25 -0.63 -4.74 115.22 114.60 1wb5 n HIS 947 Ca 0.02 -1.35 -0.19 0.00 -0.26 0.00 0.00 57.72 55.95 1wb5 n HIS 947 Cb 0.14 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.82 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 -3.12 0.69 0.11 -0.41 3.52 -1.07 -1.83 118.95 116.84 1wb5 s ARG 948 Ca 0.38 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1wb5 s ARG 948 Cb 0.35 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 1wb5 s ARG 948 CO -0.02 -0.00 -0.07 0.20 -0.81 0.00 0.00 175.30 174.60 1wb5 s GLY 949 N 0.54 0.82 -0.01 8.12 0.00 -0.20 -2.33 107.32 114.26 1wb5 s GLY 949 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1wb5 s GLY 949 CO -0.00 -1.48 0.01 -0.12 0.00 0.00 0.00 173.10 171.52 1wb5 s PHE 950 N -3.59 0.02 0.34 1.90 2.19 -0.20 -1.05 117.98 117.59 1wb5 s PHE 950 Ca 0.13 0.05 -0.04 0.00 0.33 0.00 0.00 56.93 57.40 1wb5 s PHE 950 Cb 0.05 -0.11 0.01 0.00 -1.31 0.00 0.00 43.02 41.66 1wb5 s PHE 950 CO -0.04 -0.04 0.50 0.20 1.83 0.00 0.00 175.22 177.67 1wb5 s GLY 951 N 0.46 1.36 0.00 13.12 0.00 0.37 -0.65 107.32 121.98 1wb5 s GLY 951 Ca -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1wb5 s GLY 951 CO -0.01 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1wb5 n GLY 952 N -0.55 1.29 3.46 0.20 0.00 -0.92 -0.66 105.19 108.01 1wb5 n GLY 952 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 2.94 0.00 1.61 5.36 -0.58 -0.97 117.98 124.34 1wb5 s PHE 953 Ca 0.00 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1wb5 s PHE 953 Cb 0.00 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1wb5 s PHE 953 CO 0.00 -0.08 0.00 0.00 -1.46 0.00 0.00 175.22 173.68 1wb5 n ALA 954 N 3.45 0.00 0.27 11.12 0.00 -0.09 -0.32 120.51 134.94 1wb5 n ALA 954 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1wb5 n ALA 954 Cb 0.53 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.80 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 0.12 114.93 116.06 1wb5 h MET 955 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wb5 h MET 955 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1wb5 h MET 955 CO 0.00 0.00 -0.15 0.78 1.06 0.00 0.00 176.91 178.60 1wb5 h GLY 956 N 0.00 0.00 0.87 8.32 0.00 -0.34 -0.85 103.07 111.08 1wb5 h GLY 956 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1wb5 h GLY 956 CO -0.00 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 1wb5 h GLY 957 N 2.31 0.60 0.56 4.60 0.00 -0.61 -1.85 103.07 108.67 1wb5 h GLY 957 Ca -0.00 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.86 1wb5 h GLY 957 CO 0.02 0.48 0.23 -2.00 0.00 0.00 0.00 176.54 175.28 1wb5 h LEU 958 N 0.28 0.28 -0.71 3.11 7.12 -1.05 -1.89 115.31 122.45 1wb5 h LEU 958 Ca 0.06 0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.24 1wb5 h LEU 958 Cb 0.63 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.69 1wb5 h LEU 958 CO 0.04 0.19 0.29 0.74 -0.13 0.00 0.00 178.44 179.57 1wb5 h THR 959 N 0.44 0.72 -0.44 1.05 2.02 -1.05 -1.96 112.91 113.70 1wb5 h THR 959 Ca 0.26 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1wb5 h THR 959 Cb 0.25 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1wb5 h THR 959 CO -0.23 0.09 0.25 0.74 0.37 0.00 0.00 175.52 176.73 1wb5 h THR 960 N 0.47 1.02 -0.78 3.16 2.02 -0.62 0.96 112.91 119.14 1wb5 h THR 960 Ca 0.38 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 1wb5 h THR 960 Cb 0.51 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1wb5 h THR 960 CO -0.35 0.09 0.29 -0.50 0.37 0.00 0.00 175.52 175.42 1wb5 h TRP 961 N 0.50 1.22 -0.26 3.16 4.06 -0.74 0.48 115.95 124.36 1wb5 h TRP 961 Ca 0.18 -0.10 -0.10 0.00 2.06 0.00 0.00 58.89 60.92 1wb5 h TRP 961 Cb 0.03 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 27.82 1wb5 h TRP 961 CO -0.08 0.93 -0.27 1.88 -3.56 0.00 0.00 178.44 177.34 1wb5 h TYR 962 N 1.15 0.57 -0.47 0.49 -1.99 -0.91 -1.81 116.97 114.00 1wb5 h TYR 962 Ca 0.26 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1wb5 h TYR 962 Cb 0.25 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1wb5 h TYR 962 CO 0.02 0.73 0.27 0.28 -0.00 0.00 0.00 178.16 179.46 1wb5 h VAL 963 N 0.44 1.16 0.08 -2.88 2.07 -0.50 -2.32 116.25 114.29 1wb5 h VAL 963 Ca 0.06 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1wb5 h VAL 963 Cb 0.71 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1wb5 h VAL 963 CO 0.05 0.17 -0.15 -0.03 0.02 0.00 0.00 177.57 177.63 1wb5 h MET 964 N 0.63 -0.29 0.00 1.57 1.85 -0.54 0.25 114.93 118.41 1wb5 h MET 964 Ca 0.17 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.21 1wb5 h MET 964 Cb 0.03 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1wb5 h MET 964 CO -0.03 -0.19 -0.31 -0.39 -0.40 0.00 0.00 176.91 175.59 1wb5 h VAL 965 N -0.30 0.82 -0.01 -5.77 -1.51 -1.30 -3.01 116.25 105.17 1wb5 h VAL 965 Ca 0.03 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1wb5 h VAL 965 Cb 0.32 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1wb5 h VAL 965 CO -0.10 0.31 -0.48 0.59 -1.23 0.00 0.00 177.57 176.66 1wb5 n ASN 966 N -3.58 1.60 -1.28 4.19 3.02 -0.88 -4.63 115.26 113.69 1wb5 n ASN 966 Ca -0.01 -1.30 0.03 0.00 -0.03 0.00 0.00 54.58 53.28 1wb5 n ASN 966 Cb 0.44 0.58 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 0.81 0.00 -1.93 0.00 3.38 -1.69 -0.55 115.31 115.32 1wb5 h LEU 968 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1wb5 h LEU 968 Cb 1.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1wb5 h LEU 968 CO 0.08 0.00 -0.11 -2.24 0.09 0.00 0.00 178.44 176.26 1wb5 h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.23 116.42 112.88 1wb5 h ASP 969 Ca 0.04 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.31 1wb5 h ASP 969 Cb 0.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1wb5 h ASP 969 CO -0.00 0.11 -1.75 -1.22 -1.03 0.00 0.00 179.24 175.35 1wb5 n TYR 970 N -3.99 0.00 -4.04 4.15 4.02 -0.33 -4.32 117.16 112.65 1wb5 n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1wb5 n TYR 970 Cb 0.20 -0.39 -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 -3.03 0.31 -0.10 -0.72 1.01 -0.53 -4.35 120.40 112.99 1wb5 s VAL 971 Ca -0.06 -0.04 0.15 0.00 0.00 0.00 0.00 61.98 62.03 1wb5 s VAL 971 Cb 0.10 -0.35 -0.22 0.00 0.00 0.00 0.00 36.38 35.91 1wb5 s VAL 971 CO 0.65 0.15 0.18 0.00 0.00 0.00 0.00 175.10 176.08 1wb5 n ALA 972 N 3.77 2.01 -3.03 5.51 0.00 -0.94 -4.47 120.51 123.36 1wb5 n ALA 972 Ca -0.23 -0.78 -0.32 0.00 0.00 0.00 0.00 53.44 52.12 1wb5 n ALA 972 Cb 0.53 -0.28 -0.17 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.69 2.48 -0.05 0.00 1.51 -1.15 -0.83 117.35 116.63 1wb5 s TYR 973 Ca -0.07 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 1wb5 s TYR 973 Cb 0.07 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1wb5 s TYR 973 CO 0.66 -0.33 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.58 1wb5 s PHE 974 N 0.14 1.37 -0.54 2.71 0.08 -0.25 -1.04 117.98 120.45 1wb5 s PHE 974 Ca -0.13 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.56 1wb5 s PHE 974 Cb -0.16 -0.97 0.22 0.00 -0.57 0.00 0.00 43.02 41.53 1wb5 s PHE 974 CO 0.07 -0.19 0.56 -0.12 -0.10 0.00 0.00 175.22 175.43 1wb5 n MET 975 N 3.48 1.45 -2.43 0.44 1.56 0.17 -1.02 117.12 120.76 1wb5 n MET 975 Ca -0.20 -3.95 -0.42 0.00 -0.27 0.00 0.00 57.70 52.85 1wb5 n MET 975 Cb 0.53 -1.86 -0.03 0.00 2.15 0.00 0.00 33.22 34.01 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 -1.44 4.36 -0.21 2.12 0.04 -1.25 -2.17 135.00 136.45 1wb5 s PRO 976 Ca 0.34 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1wb5 s PRO 976 Cb 0.10 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1wb5 s PRO 976 CO -0.11 -0.42 -0.15 -0.51 0.04 0.00 0.00 177.00 175.86 1wb5 s LEU 977 N 2.01 2.68 -1.41 -3.56 1.43 -0.15 -1.93 118.68 117.75 1wb5 s LEU 977 Ca 0.57 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1wb5 s LEU 977 Cb -0.26 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1wb5 s LEU 977 CO 0.24 -0.07 0.71 -1.20 0.23 0.00 0.00 176.35 176.26 1wb5 n SER 978 N 4.59 -1.96 -3.61 2.29 7.64 -0.15 -0.91 113.62 121.50 1wb5 n SER 978 Ca -0.18 -0.86 -0.13 0.00 1.01 0.00 0.00 58.87 58.70 1wb5 n SER 978 Cb 0.47 -3.72 -0.07 0.00 -1.01 0.00 0.00 64.21 59.88 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 -4.05 -0.43 0.51 0.23 0.00 -1.26 -3.07 107.32 99.24 1wb5 s GLY 979 Ca 0.20 2.07 0.08 0.00 0.00 0.00 0.00 44.72 47.07 1wb5 s GLY 979 CO 0.84 1.59 0.61 0.51 0.00 0.00 0.00 173.10 176.65 1wb5 s ASP 980 N -0.03 5.16 -0.45 1.64 -4.77 -1.26 -4.59 116.67 112.37 1wb5 s ASP 980 Ca -0.01 -0.78 -0.20 0.00 -3.30 0.00 0.00 52.55 48.26 1wb5 s ASP 980 Cb -0.04 -0.06 0.03 0.00 -1.09 0.00 0.00 42.92 41.76 1wb5 s ASP 980 CO 0.01 -1.05 0.61 -0.47 0.70 0.00 0.00 175.17 174.97 1wb5 s TYR 981 N -2.57 3.07 -1.25 2.11 5.04 -1.26 -4.13 117.35 118.36 1wb5 s TYR 981 Ca 0.54 -0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.81 1wb5 s TYR 981 Cb -0.06 -3.33 0.13 0.00 0.35 0.00 0.00 41.96 39.05 1wb5 s TYR 981 CO 0.33 -0.89 1.58 0.91 -1.34 0.00 0.00 175.55 176.14 1wb5 n TRP 982 N 6.17 4.76 -3.22 4.97 7.02 -1.26 -4.71 117.44 131.16 1wb5 n TRP 982 Ca -0.03 -3.15 -0.07 0.00 -1.02 0.00 0.00 57.50 53.22 1wb5 n TRP 982 Cb 0.47 -2.34 -0.04 0.00 -2.42 0.00 0.00 31.31 26.99 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 2.45 -1.09 0.00 -5.99 5.04 -1.26 -5.13 117.35 111.38 1wb5 s TYR 983 Ca 0.47 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 1wb5 s TYR 983 Cb 0.00 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.32 1wb5 s TYR 983 CO 0.03 -1.10 0.00 0.41 -1.34 0.00 0.00 175.55 173.55 1wb5 n GLY 984 N 4.12 4.37 0.95 8.97 0.00 -1.26 -3.61 105.19 118.73 1wb5 n GLY 984 Ca 0.13 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 2.96 -3.81 1.61 3.02 -1.26 -4.91 115.26 112.88 1wb5 n ASN 985 Ca 0.00 -1.97 -0.10 0.00 -0.03 0.00 0.00 54.58 52.48 1wb5 n ASN 985 Cb 0.00 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.95 -0.10 0.45 6.41 1.04 -1.26 -5.01 113.70 113.28 1wb5 s SER 986 Ca 0.29 -0.60 0.12 0.00 0.48 0.00 0.00 55.95 56.24 1wb5 s SER 986 Cb 0.20 0.47 1.05 0.00 0.10 0.00 0.00 66.02 67.84 1wb5 s SER 986 CO 0.30 -0.91 2.06 -0.65 0.98 0.00 0.00 173.24 175.03 1wb5 h PRO 987 N 2.43 0.32 -0.45 4.02 0.11 -1.92 -2.01 132.00 134.50 1wb5 h PRO 987 Ca -0.32 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 1wb5 h PRO 987 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1wb5 h PRO 987 CO 0.46 0.21 -0.13 1.96 -0.21 0.00 0.00 178.00 180.29 1wb5 h GLN 988 N 0.33 0.84 -0.60 1.05 7.50 -1.95 -0.83 115.11 121.46 1wb5 h GLN 988 Ca 0.14 -0.30 -0.01 0.00 0.50 0.00 0.00 58.65 58.98 1wb5 h GLN 988 Cb 0.15 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 1wb5 h GLN 988 CO -0.03 0.92 0.33 -0.44 -1.50 0.00 0.00 178.83 178.11 1wb5 h ASP 989 N 0.75 0.74 -0.07 1.46 3.32 -1.71 0.17 116.42 121.08 1wb5 h ASP 989 Ca 0.12 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wb5 h ASP 989 Cb 0.64 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1wb5 h ASP 989 CO 0.04 0.62 0.02 0.11 -1.72 0.00 0.00 179.24 178.32 1wb5 h LYS 990 N 0.81 0.10 -0.79 3.56 1.57 -1.13 -1.57 116.57 119.12 1wb5 h LYS 990 Ca 0.21 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1wb5 h LYS 990 Cb 0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1wb5 h LYS 990 CO -0.03 0.24 0.44 0.00 -0.57 0.00 0.00 179.45 179.53 1wb5 h ALA 991 N 0.85 1.29 -0.16 3.86 0.00 -1.00 -2.44 119.26 121.65 1wb5 h ALA 991 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1wb5 h ALA 991 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wb5 h ALA 991 CO -0.00 0.59 -0.43 -0.91 0.00 0.00 0.00 179.25 178.50 1wb5 h ASN 992 N 1.10 0.41 -0.40 0.00 2.35 -0.52 -0.38 115.58 118.15 1wb5 h ASN 992 Ca 0.28 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1wb5 h ASN 992 Cb 0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1wb5 h ASN 992 CO -0.05 0.79 0.12 -1.28 -1.65 0.00 0.00 177.43 175.36 1wb5 h SER 993 N 0.32 0.58 -0.52 5.81 0.87 -0.97 0.47 113.55 120.12 1wb5 h SER 993 Ca 0.03 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1wb5 h SER 993 Cb 0.89 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1wb5 h SER 993 CO 0.07 0.64 0.20 0.40 -0.53 0.00 0.00 176.83 177.61 1wb5 h ILE 994 N 0.50 1.22 -0.72 2.23 2.04 -1.10 -1.43 117.51 120.25 1wb5 h ILE 994 Ca 0.13 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1wb5 h ILE 994 Cb 0.27 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1wb5 h ILE 994 CO -0.00 0.26 0.42 0.00 0.00 0.00 0.00 178.15 178.83 1wb5 h ALA 995 N 1.05 0.91 -0.62 1.87 0.00 -0.87 -0.89 119.26 120.72 1wb5 h ALA 995 Ca 0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1wb5 h ALA 995 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wb5 h ALA 995 CO -0.01 0.39 0.13 0.93 0.00 0.00 0.00 179.25 180.69 1wb5 h GLU 996 N 0.98 0.99 -0.62 0.00 5.08 -0.71 0.92 114.58 121.22 1wb5 h GLU 996 Ca 0.26 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wb5 h GLU 996 Cb -0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1wb5 h GLU 996 CO -0.05 0.90 0.33 0.00 -1.00 0.00 0.00 179.01 179.19 1wb5 h ALA 997 N 1.19 0.80 -0.22 3.43 0.00 -0.77 -0.21 119.26 123.49 1wb5 h ALA 997 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wb5 h ALA 997 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wb5 h ALA 997 CO 0.00 0.33 0.12 0.82 0.00 0.00 0.00 179.25 180.53 1wb5 h ILE 998 N 0.85 1.11 -0.28 0.00 2.04 -0.70 -1.29 117.51 119.24 1wb5 h ILE 998 Ca 0.22 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1wb5 h ILE 998 Cb 0.07 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1wb5 h ILE 998 CO -0.03 0.11 -0.09 0.78 0.00 0.00 0.00 178.15 178.92 1wb5 h ASN 999 N 0.25 -0.31 -0.51 1.72 -0.26 -0.52 -2.21 115.58 113.74 1wb5 h ASN 999 Ca 0.08 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1wb5 h ASN 999 Cb 0.06 0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 1wb5 h ASN 999 CO -0.01 -0.11 0.30 0.03 -1.06 0.00 0.00 177.43 176.57 1wb5 h ARG 1000N -0.03 0.72 0.00 0.81 3.08 -0.85 -2.49 114.38 115.62 1wb5 h ARG 1000Ca 0.14 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1wb5 h ARG 1000Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1wb5 h ARG 1000CO -0.30 0.52 -0.22 0.66 -1.07 0.00 0.00 179.97 179.56 1wb5 h SER 1001N 0.73 0.00 0.00 7.04 4.64 -0.62 -3.47 113.55 121.88 1wb5 h SER 1001Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1wb5 h SER 1001Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1wb5 h SER 1001CO -0.03 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1wb5 n GLY 1002N -0.42 1.07 3.78 -0.77 0.00 -0.94 -5.01 105.19 102.90 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 3.74 0.70 0.99 1.43 -1.25 -5.05 118.68 119.25 1wb5 s LEU 1003Ca 0.00 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.12 1wb5 s LEU 1003Cb 0.00 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.67 1wb5 s LEU 1003CO 0.00 -1.17 1.07 -0.94 0.23 0.00 0.00 176.35 175.54 1wb5 s SER 1004N -1.86 5.27 0.00 2.29 1.04 -1.26 -4.92 113.70 114.26 1wb5 s SER 1004Ca 0.71 0.96 0.12 0.00 0.48 0.00 0.00 55.95 58.23 1wb5 s SER 1004Cb -0.22 -1.73 0.52 0.00 0.10 0.00 0.00 66.02 64.69 1wb5 s SER 1004CO 0.27 -1.41 1.38 0.29 0.98 0.00 0.00 173.24 174.75 1wb5 n LYS 1005N -2.98 0.02 -0.29 4.02 5.02 -1.26 -1.65 118.16 121.04 1wb5 n LYS 1005Ca 0.07 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1wb5 n LYS 1005Cb 0.58 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.48 2.29 0.00 1.97 5.12 -1.26 -4.27 116.66 119.03 1wb5 n ARG 1006Ca 0.03 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.15 1wb5 n ARG 1006Cb 0.14 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.88 0.84 -3.75 5.56 1.02 -0.66 -4.95 120.64 119.59 1wb5 n GLU 1007Ca 0.17 -0.84 -0.13 0.00 -0.02 0.00 0.00 57.16 56.33 1wb5 n GLU 1007Cb 0.46 -0.87 -0.09 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.40 -0.21 -0.10 -0.32 -0.85 -1.26 -4.70 117.35 109.52 1wb5 s TYR 1008Ca 0.00 0.34 -0.06 0.00 -0.52 0.00 0.00 57.07 56.84 1wb5 s TYR 1008Cb 0.00 0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.50 1wb5 s TYR 1008CO 0.00 -0.39 0.24 -0.06 -1.52 0.00 0.00 175.55 173.82 1wb5 s PHE 1009N -1.23 -0.31 -0.17 -3.49 0.40 -0.01 -4.81 117.98 108.36 1wb5 s PHE 1009Ca -0.13 0.75 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1wb5 s PHE 1009Cb -0.05 0.05 0.03 0.00 0.51 0.00 0.00 43.02 43.56 1wb5 s PHE 1009CO 0.04 -0.21 -0.12 0.08 0.70 0.00 0.00 175.22 175.71 1wb5 s VAL 1010N 1.10 1.55 -0.46 -0.44 1.01 -0.17 -1.09 120.40 121.89 1wb5 s VAL 1010Ca -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1wb5 s VAL 1010Cb -0.09 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.87 1wb5 s VAL 1010CO -0.07 0.32 0.21 0.12 0.00 0.00 0.00 175.10 175.68 1wb5 s PHE 1011N 1.47 3.45 0.33 5.22 2.19 -0.19 -1.26 117.98 129.20 1wb5 s PHE 1011Ca 0.02 -2.98 -0.08 0.00 0.33 0.00 0.00 56.93 54.22 1wb5 s PHE 1011Cb -0.14 -2.95 -0.06 0.00 -1.31 0.00 0.00 43.02 38.56 1wb5 s PHE 1011CO -0.09 -0.85 0.65 0.00 1.83 0.00 0.00 175.22 176.76 1wb5 s ALA 1012N 0.28 3.49 0.01 11.12 0.00 -0.15 -3.85 121.76 132.65 1wb5 s ALA 1012Ca 0.14 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1wb5 s ALA 1012Cb -0.23 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1wb5 s ALA 1012CO -0.04 0.17 0.47 0.00 0.00 0.00 0.00 175.76 176.36 1wb5 s ALA 1013N -2.17 -1.18 0.32 0.00 0.00 -0.82 -1.05 121.76 116.86 1wb5 s ALA 1013Ca 0.48 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 1wb5 s ALA 1013Cb -0.11 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.26 1wb5 s ALA 1013CO 0.29 -0.39 0.74 -2.37 0.00 0.00 0.00 175.76 174.04 1wb5 n THR 1014N 0.81 0.00 -3.93 0.00 5.66 -0.24 -0.98 114.28 115.59 1wb5 n THR 1014Ca -0.19 -0.83 -0.30 0.00 -3.05 0.00 0.00 64.05 59.68 1wb5 n THR 1014Cb 0.58 0.86 -0.04 0.00 -1.55 0.00 0.00 70.33 70.18 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 -2.92 2.07 0.44 1.09 0.00 -1.26 -1.06 107.32 105.68 1wb5 s GLY 1015Ca 0.15 -0.89 0.30 0.00 0.00 0.00 0.00 44.72 44.28 1wb5 s GLY 1015CO 0.10 -0.88 1.90 1.48 0.00 0.00 0.00 173.10 175.70 1wb5 h SER 1016N 2.86 0.00 -0.26 1.64 4.64 -0.97 -1.92 113.55 119.54 1wb5 h SER 1016Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wb5 h SER 1016Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1wb5 h SER 1016CO 0.74 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.08 1wb5 n GLU 1017N -2.72 2.85 -3.35 4.77 -0.58 -0.22 -4.88 120.64 116.52 1wb5 n GLU 1017Ca 0.01 -2.69 -0.39 0.00 -0.42 0.00 0.00 57.16 53.67 1wb5 n GLU 1017Cb 0.24 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.81 6.45 0.43 1.62 -1.08 -0.72 -4.38 116.67 117.18 1wb5 s ASP 1018Ca 0.38 0.54 0.25 0.00 -0.52 0.00 0.00 52.55 53.19 1wb5 s ASP 1018Cb 0.30 -2.25 1.27 0.00 -1.46 0.00 0.00 42.92 40.78 1wb5 s ASP 1018CO 0.10 -0.12 1.72 0.16 0.52 0.00 0.00 175.17 177.54 1wb5 h ILE 1019N 5.10 0.36 0.00 4.11 3.07 -1.92 -0.38 117.51 127.85 1wb5 h ILE 1019Ca -0.35 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1wb5 h ILE 1019Cb 1.16 0.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1wb5 h ILE 1019CO 0.72 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.86 1wb5 h ALA 1020N 1.59 1.00 -0.90 0.16 0.00 -1.92 -2.75 119.26 116.43 1wb5 h ALA 1020Ca 0.68 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.74 1wb5 h ALA 1020Cb 1.98 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1wb5 h ALA 1020CO -0.31 0.00 0.58 -0.92 0.00 0.00 0.00 179.25 178.60 1wb5 h TYR 1021N 0.00 0.79 -0.75 0.00 5.03 -1.33 -0.72 116.97 120.00 1wb5 h TYR 1021Ca 0.00 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.41 1wb5 h TYR 1021Cb 0.31 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.29 1wb5 h TYR 1021CO 0.00 0.28 0.49 0.00 -1.32 0.00 0.00 178.16 177.61 1wb5 h ALA 1022N 1.60 1.72 0.00 1.82 0.00 -1.69 -0.46 119.26 122.26 1wb5 h ALA 1022Ca 0.46 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.01 1wb5 h ALA 1022Cb 0.79 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1wb5 h ALA 1022CO -0.21 0.15 -2.17 0.09 0.00 0.00 0.00 179.25 177.10 1wb5 n ASN 1023N -4.49 0.27 -0.08 0.00 3.02 -0.82 -4.41 115.26 108.75 1wb5 n ASN 1023Ca 0.12 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.68 1wb5 n ASN 1023Cb 0.26 0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 40.06 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 0.44 -0.44 3.52 2.86 -0.90 -3.27 114.93 117.14 1wb5 h MET 1024Ca -0.46 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.03 1wb5 h MET 1024Cb 2.16 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.77 1wb5 h MET 1024CO 0.04 0.65 0.28 -0.97 1.06 0.00 0.00 176.91 177.98 1wb5 h ASN 1025N 0.19 0.48 -0.65 1.22 -1.24 -1.29 0.05 115.58 114.34 1wb5 h ASN 1025Ca 0.06 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1wb5 h ASN 1025Cb 0.47 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1wb5 h ASN 1025CO 0.02 0.35 0.37 -0.65 -1.29 0.00 0.00 177.43 176.23 1wb5 h PRO 1026N 0.58 0.92 -0.45 6.67 0.11 -1.77 -1.24 132.00 136.80 1wb5 h PRO 1026Ca 0.17 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1wb5 h PRO 1026Cb -0.04 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1wb5 h PRO 1026CO -0.05 0.67 0.14 0.37 -0.21 0.00 0.00 178.00 178.92 1wb5 h GLN 1027N 0.93 0.71 -0.73 1.05 4.15 -1.37 -1.87 115.11 117.98 1wb5 h GLN 1027Ca 0.24 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1wb5 h GLN 1027Cb 0.01 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1wb5 h GLN 1027CO -0.04 0.68 0.42 0.82 -1.93 0.00 0.00 178.83 178.78 1wb5 h ILE 1028N 0.60 1.21 -0.78 2.39 1.08 -0.63 -0.52 117.51 120.86 1wb5 h ILE 1028Ca 0.15 -0.50 -0.05 0.00 -0.39 0.00 0.00 64.86 64.06 1wb5 h ILE 1028Cb 0.27 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1wb5 h ILE 1028CO -0.00 0.23 0.29 -0.33 -0.69 0.00 0.00 178.15 177.65 1wb5 h GLU 1029N 1.00 1.18 -0.50 2.37 4.39 -1.08 -0.22 114.58 121.72 1wb5 h GLU 1029Ca 0.26 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1wb5 h GLU 1029Cb -0.00 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1wb5 h GLU 1029CO -0.05 0.96 -0.04 0.00 -1.16 0.00 0.00 179.01 178.73 1wb5 h ALA 1030N 1.17 1.00 -0.34 3.43 0.00 -0.87 -2.69 119.26 120.96 1wb5 h ALA 1030Ca 0.26 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wb5 h ALA 1030Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wb5 h ALA 1030CO -0.02 0.61 -0.16 0.52 0.00 0.00 0.00 179.25 180.20 1wb5 h MET 1031N 0.79 0.61 -0.33 0.00 2.86 -0.52 -2.89 114.93 115.46 1wb5 h MET 1031Ca 0.14 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1wb5 h MET 1031Cb 0.53 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1wb5 h MET 1031CO 0.03 0.75 0.22 0.87 1.06 0.00 0.00 176.91 179.83 1wb5 h LYS 1032N 0.55 0.36 0.00 1.72 1.57 -0.72 -1.57 116.57 118.49 1wb5 h LYS 1032Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wb5 h LYS 1032Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1wb5 h LYS 1032CO 0.04 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1wb5 n ALA 1033N -2.50 2.03 -1.78 3.86 0.00 -1.09 -4.79 120.51 116.24 1wb5 n ALA 1033Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1wb5 n ALA 1033Cb 0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 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 -4.18 4.19 0.35 0.00 1.43 -0.59 -4.93 118.68 114.95 1wb5 s LEU 1034Ca 0.09 2.07 0.26 0.00 -1.03 0.00 0.00 54.13 55.52 1wb5 s LEU 1034Cb 0.12 -4.11 1.19 0.00 0.03 0.00 0.00 46.19 43.42 1wb5 s LEU 1034CO 0.49 -0.45 1.79 1.55 0.23 0.00 0.00 176.35 179.96 1wb5 h PRO 1035N 2.67 0.00 0.00 1.29 0.13 -1.87 -3.04 132.00 131.18 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wb5 h PRO 1035CO 0.63 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.85 1wb5 h HIS 1036N 0.00 0.00 -3.81 1.56 3.86 -1.92 -3.43 115.15 111.42 1wb5 h HIS 1036Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1wb5 h HIS 1036Cb 0.27 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.42 1wb5 h HIS 1036CO 0.00 0.00 -0.85 -0.06 0.86 0.00 0.00 177.93 177.88 1wb5 s PHE 1037N -3.41 1.95 -0.32 2.45 0.08 -1.15 -4.83 117.98 112.75 1wb5 s PHE 1037Ca 0.04 -0.62 -0.05 0.00 0.12 0.00 0.00 56.93 56.43 1wb5 s PHE 1037Cb 0.09 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1wb5 s PHE 1037CO 0.49 -0.22 0.06 -0.51 -0.10 0.00 0.00 175.22 174.94 1wb5 s ASP 1038N 0.09 5.14 -0.30 1.36 1.01 -1.26 -4.82 116.67 117.89 1wb5 s ASP 1038Ca -0.07 -1.14 -0.29 0.00 0.71 0.00 0.00 52.55 51.77 1wb5 s ASP 1038Cb -0.13 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 42.00 1wb5 s ASP 1038CO 0.03 -0.29 1.09 -0.47 0.21 0.00 0.00 175.17 175.75 1wb5 s TYR 1039N 1.36 3.14 0.00 4.23 5.04 -1.26 -1.26 117.35 128.60 1wb5 s TYR 1039Ca -0.02 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1wb5 s TYR 1039Cb -0.19 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1wb5 s TYR 1039CO 0.01 -0.82 0.00 -2.37 -1.34 0.00 0.00 175.55 171.04 1wb5 n THR 1040N 5.79 0.00 1.17 4.34 5.66 0.27 -4.95 114.28 126.56 1wb5 n THR 1040Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.26 1wb5 n THR 1040Cb 0.47 0.00 0.67 0.00 -1.55 0.00 0.00 70.33 69.92 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 0.00 -4.53 1.09 3.41 -0.72 -3.58 113.62 109.28 1wb5 n SER 1041Ca 0.00 0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 58.40 1wb5 n SER 1041Cb 0.00 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.80 6.34 0.00 4.04 -1.08 -1.00 -4.70 116.67 117.47 1wb5 s ASP 1042Ca 0.20 -1.05 0.25 0.00 -0.52 0.00 0.00 52.55 51.43 1wb5 s ASP 1042Cb 0.19 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.56 1wb5 s ASP 1042CO 0.48 -1.60 1.85 0.49 0.52 0.00 0.00 175.17 176.92 1wb5 n PHE 1043N 8.75 0.00 0.76 -5.34 3.72 -1.26 -1.00 117.46 123.10 1wb5 n PHE 1043Ca 0.16 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.69 1wb5 n PHE 1043Cb 0.49 -0.06 0.50 0.00 -0.94 0.00 0.00 39.48 39.47 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 -1.06 0.39 -0.04 4.37 3.41 -1.26 -4.22 113.62 115.21 1wb5 n SER 1044Ca 0.17 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1wb5 n SER 1044Cb 0.11 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.87 0.19 -0.14 4.33 5.02 -0.17 -5.12 118.16 120.41 1wb5 n LYS 1045Ca 0.06 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1wb5 n LYS 1045Cb 0.35 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 2.68 5.59 0.29 0.72 0.00 -0.59 -5.03 105.19 108.84 1wb5 n GLY 1046Ca -0.16 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.39 -4.16 115.26 115.40 1wb5 n ASN 1047Ca 0.00 -1.21 -0.10 0.00 -0.02 0.00 0.00 54.58 53.25 1wb5 n ASN 1047Cb 0.00 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 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 -0.67 0.01 -2.53 5.36 -1.09 -1.00 117.98 118.06 1wb5 s PHE 1048Ca 0.00 1.40 -0.16 0.00 -0.96 0.00 0.00 56.93 57.22 1wb5 s PHE 1048Cb 0.00 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1wb5 s PHE 1048CO 0.00 -0.38 0.34 -0.47 -1.46 0.00 0.00 175.22 173.26 1wb5 s TYR 1049N 1.53 -0.19 -0.27 10.12 5.04 -0.39 -0.56 117.35 132.63 1wb5 s TYR 1049Ca -0.09 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1wb5 s TYR 1049Cb -0.08 0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.44 1wb5 s TYR 1049CO -0.14 -0.47 0.07 0.12 -1.34 0.00 0.00 175.55 173.79 1wb5 s PHE 1050N -1.91 1.48 -0.19 4.97 5.36 -1.26 -0.98 117.98 125.45 1wb5 s PHE 1050Ca -0.09 -1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 54.25 1wb5 s PHE 1050Cb -0.03 -1.45 -0.03 0.00 -0.34 0.00 0.00 43.02 41.18 1wb5 s PHE 1050CO 0.01 -0.78 0.61 -1.17 -1.46 0.00 0.00 175.22 172.43 1wb5 s LEU 1051N 1.70 4.16 -0.25 6.12 0.20 -0.22 -4.96 118.68 125.43 1wb5 s LEU 1051Ca 0.05 0.83 0.01 0.00 0.69 0.00 0.00 54.13 55.72 1wb5 s LEU 1051Cb -0.17 -2.87 0.04 0.00 -0.43 0.00 0.00 46.19 42.76 1wb5 s LEU 1051CO -0.19 -0.24 -0.11 -0.69 -0.29 0.00 0.00 176.35 174.83 1wb5 s VAL 1052N 1.76 2.38 -0.29 1.68 1.01 -1.26 -1.08 120.40 124.60 1wb5 s VAL 1052Ca 0.28 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1wb5 s VAL 1052Cb -0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1wb5 s VAL 1052CO 0.11 0.12 0.89 0.00 0.00 0.00 0.00 175.10 176.22 1wb5 s ALA 1053N 1.20 3.55 0.12 5.51 0.00 -0.23 -4.75 121.76 127.17 1wb5 s ALA 1053Ca -0.04 -0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1wb5 s ALA 1053Cb -0.18 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1wb5 s ALA 1053CO -0.06 -1.22 1.79 -2.14 0.00 0.00 0.00 175.76 174.12 1wb5 s PRO 1054N 3.13 4.15 0.00 0.00 0.02 -1.26 -0.74 135.00 140.30 1wb5 s PRO 1054Ca 0.37 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1wb5 s PRO 1054Cb -0.14 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.85 1wb5 s PRO 1054CO 0.12 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 1wb5 n GLY 1055N 4.16 2.30 3.76 0.52 0.00 -1.26 -4.87 105.19 109.81 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 -2.45 3.37 0.51 4.61 0.00 -1.08 -4.59 121.76 122.14 1wb5 s ALA 1056Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.83 1wb5 s ALA 1056Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1wb5 s ALA 1056CO 0.00 -0.03 0.51 0.95 0.00 0.00 0.00 175.76 177.19 1wb5 s THR 1057N -1.19 2.12 -1.18 0.00 -4.23 -1.26 -1.06 115.64 108.85 1wb5 s THR 1057Ca 0.44 -1.30 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1wb5 s THR 1057Cb -0.29 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.14 1wb5 s THR 1057CO 0.37 0.00 1.76 -2.28 -0.54 0.00 0.00 174.62 173.93 1wb5 s HIS 1058N -2.64 2.41 -0.26 3.99 2.46 -1.26 -4.76 115.29 115.23 1wb5 s HIS 1058Ca 0.46 -0.69 -0.18 0.00 0.47 0.00 0.00 55.06 55.13 1wb5 s HIS 1058Cb -0.04 -4.47 0.07 0.00 -0.13 0.00 0.00 32.58 28.01 1wb5 s HIS 1058CO 0.28 -1.66 0.65 -0.46 -2.47 0.00 0.00 174.74 171.08 1wb5 s TRP 1059N 6.81 -0.89 0.57 3.88 -0.00 -1.26 -5.03 118.94 123.02 1wb5 s TRP 1059Ca 0.58 1.91 0.28 0.00 -0.00 0.00 0.00 56.10 58.87 1wb5 s TRP 1059Cb 0.01 0.45 1.48 0.00 -0.00 0.00 0.00 33.47 35.41 1wb5 s TRP 1059CO 0.05 -0.44 1.94 -1.49 -0.00 0.00 0.00 176.95 177.01 1wb5 h TRP 1060N 6.29 0.00 -0.78 5.86 4.06 -1.91 -1.44 115.95 128.03 1wb5 h TRP 1060Ca -0.30 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.73 1wb5 h TRP 1060Cb 1.20 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.31 1wb5 h TRP 1060CO 0.20 0.00 0.51 0.78 -3.56 0.00 0.00 178.44 176.37 1wb5 h GLY 1061N 0.00 1.03 0.51 1.49 0.00 -1.94 -1.63 103.07 102.52 1wb5 h GLY 1061Ca 0.25 -0.31 -0.28 0.00 0.00 0.00 0.00 47.33 46.99 1wb5 h GLY 1061CO -0.00 0.20 -1.45 -0.97 0.00 0.00 0.00 176.54 174.32 1wb5 h TYR 1062N 0.76 0.40 -0.12 5.60 0.05 -1.59 -3.41 116.97 118.66 1wb5 h TYR 1062Ca 0.35 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1wb5 h TYR 1062Cb 0.36 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1wb5 h TYR 1062CO -0.00 1.57 -0.07 0.28 -1.05 0.00 0.00 178.16 178.89 1wb5 h VAL 1063N -0.33 1.12 -0.54 -2.88 2.07 -1.04 -0.70 116.25 113.95 1wb5 h VAL 1063Ca -0.32 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 66.77 1wb5 h VAL 1063Cb 1.74 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1wb5 h VAL 1063CO 0.04 0.16 0.36 0.08 0.02 0.00 0.00 177.57 178.23 1wb5 h ARG 1064N 0.17 0.37 0.00 1.57 0.11 -1.53 -0.12 114.38 114.95 1wb5 h ARG 1064Ca 0.04 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 1wb5 h ARG 1064Cb 0.23 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1wb5 h ARG 1064CO 0.01 0.24 -0.43 0.45 0.10 0.00 0.00 179.97 180.35 1wb5 h HIS 1065N 0.38 0.00 -0.63 4.08 3.86 -1.37 -2.17 115.15 119.30 1wb5 h HIS 1065Ca 0.24 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1wb5 h HIS 1065Cb 0.47 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1wb5 h HIS 1065CO -0.00 0.43 0.13 1.88 0.86 0.00 0.00 177.93 181.23 1wb5 h TYR 1066N 0.00 1.04 -0.47 2.45 0.05 -0.99 -0.88 116.97 118.17 1wb5 h TYR 1066Ca -0.00 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 1wb5 h TYR 1066Cb 0.89 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1wb5 h TYR 1066CO 0.00 0.87 0.08 0.82 -1.05 0.00 0.00 178.16 178.88 1wb5 h ILE 1067N 0.95 1.25 -0.91 -2.88 2.04 -1.31 0.27 117.51 116.92 1wb5 h ILE 1067Ca 0.20 -0.91 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1wb5 h ILE 1067Cb 0.36 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1wb5 h ILE 1067CO 0.00 0.32 0.55 0.22 0.00 0.00 0.00 178.15 179.24 1wb5 h TYR 1068N 0.65 0.99 0.00 1.37 3.20 -1.13 0.72 116.97 122.79 1wb5 h TYR 1068Ca 0.14 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.80 1wb5 h TYR 1068Cb 0.38 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.35 1wb5 h TYR 1068CO 0.03 0.41 -1.00 -0.44 -1.64 0.00 0.00 178.16 175.52 1wb5 h ASP 1069N 0.90 0.71 0.12 -2.11 3.32 -0.78 -3.39 116.42 115.18 1wb5 h ASP 1069Ca 0.44 -0.57 -0.37 0.00 0.02 0.00 0.00 57.03 56.55 1wb5 h ASP 1069Cb 0.40 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1wb5 h ASP 1069CO -0.25 1.37 -2.09 0.00 -1.72 0.00 0.00 179.24 176.55 1wb5 n ALA 1070N -2.59 1.03 -0.23 3.45 0.00 0.05 -4.37 120.51 117.85 1wb5 n ALA 1070Ca -0.09 -0.71 0.04 0.00 0.00 0.00 0.00 53.44 52.69 1wb5 n ALA 1070Cb 0.86 -0.57 0.29 0.00 0.00 0.00 0.00 19.45 20.03 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 0.79 -2.09 0.00 5.85 -1.05 -0.30 115.31 118.56 1wb5 h LEU 1071Ca -0.45 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1wb5 h LEU 1071Cb 2.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1wb5 h LEU 1071CO 0.05 0.53 0.06 -0.65 -0.34 0.00 0.00 178.44 178.09 1wb5 h PRO 1072N 0.91 0.00 0.00 5.25 0.11 -1.76 -1.83 132.00 134.68 1wb5 h PRO 1072Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1wb5 h PRO 1072Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1wb5 h PRO 1072CO -0.11 0.00 -0.08 0.66 -0.21 0.00 0.00 178.00 178.26 1wb5 n TYR 1073N -2.65 0.36 -3.37 0.65 4.02 -0.12 -4.92 117.16 111.13 1wb5 n TYR 1073Ca -0.02 0.11 -0.33 0.00 -0.01 0.00 0.00 57.90 57.65 1wb5 n TYR 1073Cb 0.11 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 38.73 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 -3.05 3.47 -0.20 -0.72 0.40 -0.69 -4.57 117.98 112.64 1wb5 s PHE 1074Ca 0.12 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.41 1wb5 s PHE 1074Cb 0.16 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.37 1wb5 s PHE 1074CO 0.58 0.30 0.00 1.19 0.70 0.00 0.00 175.22 177.99 1wb5 n PHE 1075N 0.12 -0.03 0.41 0.36 3.72 -1.26 -4.92 117.46 115.86 1wb5 n PHE 1075Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1wb5 n PHE 1075Cb 0.52 -0.96 -0.13 0.00 -0.94 0.00 0.00 39.48 37.98 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 -2.89 1.38 8.25 -1.26 -4.60 115.22 112.79 1wb5 n HIS 1076Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1wb5 n HIS 1076Cb 0.22 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.02 4.39 -1.55 -0.41 0.41 -1.26 -3.11 118.70 114.16 1wb5 s GLU 1077Ca -0.00 1.07 -0.03 0.00 -0.41 0.00 0.00 54.97 55.59 1wb5 s GLU 1077Cb 0.13 -3.51 0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1wb5 s GLU 1077CO 0.76 -0.16 0.35 1.28 -0.49 0.00 0.00 175.26 177.00 1wb5 n LEU 1078N 4.53 -2.17 -4.84 1.80 4.77 -1.26 -4.97 117.00 114.86 1wb5 n LEU 1078Ca 0.03 -0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.54 1wb5 n LEU 1078Cb 0.50 -2.79 0.04 0.00 -2.33 0.00 0.00 43.42 38.84 1wb5 n LEU 1078CO 0.49 0.05 0.72 -1.83 -1.33 0.00 0.00 177.39 175.48 1wb5 s GLU 1079N -5.47 3.16 0.07 3.23 -1.05 -1.18 -4.99 118.70 112.47 1wb5 s GLU 1079Ca 0.19 0.82 0.23 0.00 -0.15 0.00 0.00 54.97 56.06 1wb5 s GLU 1079Cb -0.09 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1wb5 s GLU 1079CO 0.23 -0.91 0.97 0.72 0.95 0.00 0.00 175.26 177.23 1wb5 n HIS 1080N -2.98 0.39 -2.42 4.83 8.25 -1.26 -4.86 115.22 117.17 1wb5 n HIS 1080Ca 0.07 0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.34 1wb5 n HIS 1080Cb 0.54 -0.56 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 -3.27 3.55 -0.76 4.41 3.76 -1.26 -5.02 115.29 116.70 1wb5 s HIS 1081Ca 0.01 1.10 -0.18 0.00 -0.15 0.00 0.00 55.06 55.84 1wb5 s HIS 1081Cb 0.13 -2.52 0.14 0.00 1.11 0.00 0.00 32.58 31.44 1wb5 s HIS 1081CO 0.81 -0.38 0.86 -1.58 -0.85 0.00 0.00 174.74 173.60 1wb5 s HIS 1082N -2.78 3.22 0.13 1.40 2.46 -1.26 -5.01 115.29 113.45 1wb5 s HIS 1082Ca 0.52 -1.34 0.10 0.00 0.47 0.00 0.00 55.06 54.81 1wb5 s HIS 1082Cb -0.10 -4.06 -0.04 0.00 -0.13 0.00 0.00 32.58 28.25 1wb5 s HIS 1082CO 0.43 -1.29 -0.24 -1.01 -2.47 0.00 0.00 174.74 170.16 1wb5 s HIS 1083N 2.10 2.07 -0.32 3.88 4.02 -1.26 -5.12 115.29 120.65 1wb5 s HIS 1083Ca 0.20 -0.40 -0.01 0.00 1.02 0.00 0.00 55.06 55.87 1wb5 s HIS 1083Cb -0.14 -1.11 0.07 0.00 -1.02 0.00 0.00 32.58 30.38 1wb5 s HIS 1083CO -0.02 0.30 0.04 -1.01 1.02 0.00 0.00 174.74 175.07 1wb5 s HIS 1084N -1.24 3.40 -0.97 1.40 3.76 -1.26 -5.16 115.29 115.22 1wb5 s HIS 1084Ca 0.12 -2.20 0.08 0.00 -0.15 0.00 0.00 55.06 52.91 1wb5 s HIS 1084Cb -0.09 -2.45 0.06 0.00 1.11 0.00 0.00 32.58 31.21 1wb5 s HIS 1084CO 0.06 -0.87 0.75 0.72 -0.85 0.00 0.00 174.74 174.54