#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb6 s PHE 804 N 0.00 3.27 -0.04 0.66 5.36 -1.26 -5.03 117.98 120.94 1wb6 s PHE 804 Ca 0.00 1.18 0.03 0.00 -0.96 0.00 0.00 56.93 57.18 1wb6 s PHE 804 Cb 0.00 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 1wb6 s PHE 804 CO 0.00 -1.92 -0.14 0.15 -1.46 0.00 0.00 175.22 171.86 1wb6 s LYS 805 N 0.23 1.50 0.30 10.12 -0.14 -1.26 -4.43 119.74 126.05 1wb6 s LYS 805 Ca 0.58 -0.47 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 1wb6 s LYS 805 Cb -0.36 -1.31 -0.10 0.00 -1.68 0.00 0.00 37.83 34.38 1wb6 s LYS 805 CO 0.36 0.16 1.37 0.71 -0.76 0.00 0.00 175.35 177.18 1wb6 s TYR 806 N 0.21 3.02 0.16 3.18 2.02 -1.26 -5.04 117.35 119.64 1wb6 s TYR 806 Ca -0.06 1.25 0.05 0.00 -0.37 0.00 0.00 57.07 57.94 1wb6 s TYR 806 Cb -0.11 -3.75 -0.04 0.00 -0.40 0.00 0.00 41.96 37.66 1wb6 s TYR 806 CO 0.02 -2.22 0.16 -1.21 -1.57 0.00 0.00 175.55 170.73 1wb6 s GLU 807 N -1.18 2.99 0.34 -0.62 2.02 -1.26 -4.96 118.70 116.03 1wb6 s GLU 807 Ca 0.53 -0.82 0.22 0.00 0.02 0.00 0.00 54.97 54.92 1wb6 s GLU 807 Cb -0.41 -2.70 0.19 0.00 0.10 0.00 0.00 34.13 31.32 1wb6 s GLU 807 CO 0.49 0.49 1.41 0.66 0.02 0.00 0.00 175.26 178.33 1wb6 h SER 808 N 2.37 0.00 -1.60 -0.19 4.64 -1.96 -2.81 113.55 114.01 1wb6 h SER 808 Ca -0.48 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.36 1wb6 h SER 808 Cb 1.20 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.95 1wb6 h SER 808 CO 0.64 0.09 -0.99 0.00 -0.87 0.00 0.00 176.83 175.70 1wb6 n ALA 809 N -2.15 1.64 -1.73 5.18 0.00 -1.26 -1.68 120.51 120.51 1wb6 n ALA 809 Ca 0.02 -3.00 -0.42 0.00 0.00 0.00 0.00 53.44 50.04 1wb6 n ALA 809 Cb 0.58 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1wb6 n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wb6 n VAL 810 N 1.32 1.86 -4.08 0.00 3.14 -1.26 -4.99 118.33 114.32 1wb6 n VAL 810 Ca 0.19 -0.47 -0.25 0.00 -2.96 0.00 0.00 64.34 60.86 1wb6 n VAL 810 Cb 0.56 -1.77 -0.05 0.00 -1.06 0.00 0.00 33.84 31.52 1wb6 n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wb6 s GLN 811 N -1.78 2.95 0.27 1.45 -1.52 -1.26 -4.95 119.66 114.82 1wb6 s GLN 811 Ca 0.56 -0.90 -0.30 0.00 -1.95 0.00 0.00 55.36 52.76 1wb6 s GLN 811 Cb -0.53 -2.65 -0.11 0.00 -0.22 0.00 0.00 33.01 29.51 1wb6 s GLN 811 CO 0.61 0.46 1.54 -0.47 -0.25 0.00 0.00 175.29 177.18 1wb6 s TYR 812 N -1.86 2.88 -0.18 0.91 5.04 -1.26 -5.00 117.35 117.86 1wb6 s TYR 812 Ca 0.32 0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 55.74 1wb6 s TYR 812 Cb -0.09 -3.97 0.09 0.00 0.35 0.00 0.00 41.96 38.33 1wb6 s TYR 812 CO 0.24 -3.26 0.37 0.50 -1.34 0.00 0.00 175.55 172.06 1wb6 s ARG 813 N -0.29 0.27 0.63 4.97 3.52 -1.26 -5.03 118.95 121.76 1wb6 s ARG 813 Ca 0.63 0.88 -0.17 0.00 -0.13 0.00 0.00 55.73 56.94 1wb6 s ARG 813 Cb -0.45 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.03 1wb6 s ARG 813 CO 0.45 -0.31 1.17 -1.25 -0.81 0.00 0.00 175.30 174.54 1wb6 s PRO 814 N 2.55 2.82 0.58 5.12 0.04 -1.26 -4.73 135.00 140.11 1wb6 s PRO 814 Ca 0.01 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1wb6 s PRO 814 Cb -0.12 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wb6 s PRO 814 CO -0.12 -1.29 1.35 0.00 0.04 0.00 0.00 177.00 176.98 1wb6 s ALA 815 N -1.91 2.68 0.69 8.56 0.00 -1.26 -4.96 121.76 125.56 1wb6 s ALA 815 Ca 0.73 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.84 1wb6 s ALA 815 Cb -0.26 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1wb6 s ALA 815 CO 0.37 -1.48 0.71 -2.30 0.00 0.00 0.00 175.76 173.06 1wb6 n PRO 816 N -1.33 0.46 0.13 0.00 -0.02 -1.26 -4.85 135.00 128.14 1wb6 n PRO 816 Ca 0.12 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1wb6 n PRO 816 Cb 0.46 -1.97 0.54 0.00 -0.02 0.00 0.00 33.50 32.51 1wb6 n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wb6 h ASP 817 N -0.15 0.22 0.20 2.55 3.32 -2.03 0.37 116.42 120.89 1wb6 h ASP 817 Ca -0.46 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wb6 h ASP 817 Cb 1.35 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1wb6 h ASP 817 CO 0.45 0.16 -0.00 0.77 -1.72 0.00 0.00 179.24 178.90 1wb6 h SER 818 N 0.26 0.00 0.99 6.45 4.64 -1.97 -2.18 113.55 121.74 1wb6 h SER 818 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wb6 h SER 818 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1wb6 h SER 818 CO -0.02 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.73 1wb6 n TYR 819 N -3.14 0.50 1.04 4.77 4.02 0.12 -2.57 117.16 121.89 1wb6 n TYR 819 Ca -0.02 0.17 0.13 0.00 -0.01 0.00 0.00 57.90 58.16 1wb6 n TYR 819 Cb 0.12 -0.77 0.45 0.00 -0.02 0.00 0.00 39.34 39.12 1wb6 n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wb6 n LEU 820 N -1.93 0.28 -4.94 7.72 4.77 -0.82 -2.77 117.00 119.31 1wb6 n LEU 820 Ca 0.05 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.98 1wb6 n LEU 820 Cb 0.31 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1wb6 n LEU 820 CO 0.24 0.07 -0.04 0.20 -1.33 0.00 0.00 177.39 176.53 1wb6 s ASN 821 N -2.95 6.35 0.32 -1.43 0.01 -1.06 -4.92 114.94 111.26 1wb6 s ASN 821 Ca 0.14 0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 52.27 1wb6 s ASN 821 Cb 0.18 -1.95 -0.13 0.00 0.41 0.00 0.00 41.25 39.77 1wb6 s ASN 821 CO 0.60 -0.00 1.20 -2.65 -1.51 0.00 0.00 177.10 174.74 1wb6 n PRO 822 N -0.68 1.88 -3.92 -0.60 -0.02 -1.26 -4.85 135.00 125.55 1wb6 n PRO 822 Ca -0.06 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 1wb6 n PRO 822 Cb 0.54 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1wb6 n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wb6 h PRO 824 N 4.93 0.00 -3.60 0.00 0.13 -1.98 -3.26 132.00 128.23 1wb6 h PRO 824 Ca -0.54 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.84 1wb6 h PRO 824 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1wb6 h PRO 824 CO 0.58 0.13 2.15 1.04 -0.23 0.00 0.00 178.00 181.68 1wb6 n GLN 825 N -3.43 3.52 -3.45 0.86 6.02 -1.26 -4.96 117.38 114.67 1wb6 n GLN 825 Ca -0.01 -3.42 -0.37 0.00 -0.01 0.00 0.00 57.00 53.20 1wb6 n GLN 825 Cb 0.30 -2.98 -0.07 0.00 1.02 0.00 0.00 30.24 28.52 1wb6 n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wb6 s ALA 826 N 0.77 3.55 0.51 -1.58 0.00 -1.23 -4.61 121.76 119.17 1wb6 s ALA 826 Ca 0.41 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.76 1wb6 s ALA 826 Cb 0.10 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1wb6 s ALA 826 CO -0.01 0.01 1.25 0.20 0.00 0.00 0.00 175.76 177.21 1wb6 s GLY 827 N 0.60 2.82 0.17 0.00 0.00 -1.26 -4.51 107.32 105.14 1wb6 s GLY 827 Ca 0.20 1.11 -0.30 0.00 0.00 0.00 0.00 44.72 45.72 1wb6 s GLY 827 CO 0.06 1.59 1.02 -1.60 0.00 0.00 0.00 173.10 174.17 1wb6 s ARG 828 N -2.84 4.68 -0.18 2.90 3.52 -0.83 -4.81 118.95 121.39 1wb6 s ARG 828 Ca 0.68 1.59 -0.02 0.00 -0.13 0.00 0.00 55.73 57.85 1wb6 s ARG 828 Cb -0.34 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1wb6 s ARG 828 CO 0.40 0.22 -0.09 0.42 -0.81 0.00 0.00 175.30 175.43 1wb6 s ILE 829 N -0.40 3.11 -0.18 4.11 1.01 -1.26 -0.52 121.20 127.08 1wb6 s ILE 829 Ca 0.47 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1wb6 s ILE 829 Cb -0.27 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1wb6 s ILE 829 CO 0.33 0.47 -0.13 -0.69 0.00 0.00 0.00 174.94 174.93 1wb6 s VAL 830 N 1.05 2.80 -0.11 2.92 1.01 0.20 -4.93 120.40 123.35 1wb6 s VAL 830 Ca -0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1wb6 s VAL 830 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1wb6 s VAL 830 CO -0.02 0.49 1.01 -0.75 0.00 0.00 0.00 175.10 175.84 1wb6 s LYS 831 N 1.04 4.42 0.10 2.72 2.47 -1.26 -0.80 119.74 128.43 1wb6 s LYS 831 Ca -0.01 1.39 0.09 0.00 -1.56 0.00 0.00 55.97 55.89 1wb6 s LYS 831 Cb -0.15 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.65 1wb6 s LYS 831 CO -0.03 -0.32 -0.24 -1.21 0.16 0.00 0.00 175.35 173.71 1wb6 s GLU 832 N 2.03 1.34 -0.04 4.03 0.41 -0.23 -5.01 118.70 121.24 1wb6 s GLU 832 Ca 0.48 -1.19 0.03 0.00 -0.41 0.00 0.00 54.97 53.88 1wb6 s GLU 832 Cb -0.18 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1wb6 s GLU 832 CO 0.18 0.40 -0.14 0.99 -0.49 0.00 0.00 175.26 176.20 1wb6 s THR 833 N -1.03 1.17 0.10 3.63 2.01 -1.26 -1.20 115.64 119.07 1wb6 s THR 833 Ca 0.10 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1wb6 s THR 833 Cb -0.10 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1wb6 s THR 833 CO 0.04 0.35 0.07 -0.72 -0.69 0.00 0.00 174.62 173.67 1wb6 s TYR 834 N 0.17 0.61 -0.14 4.92 1.13 -0.35 -4.99 117.35 118.71 1wb6 s TYR 834 Ca -0.05 -1.05 0.02 0.00 -1.41 0.00 0.00 57.07 54.58 1wb6 s TYR 834 Cb -0.11 -0.35 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 1wb6 s TYR 834 CO 0.02 -0.50 -0.20 0.99 -2.51 0.00 0.00 175.55 173.34 1wb6 s THR 835 N -3.98 2.23 0.00 -3.49 2.01 -1.26 -1.20 115.64 109.95 1wb6 s THR 835 Ca 0.16 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1wb6 s THR 835 Cb 0.07 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1wb6 s THR 835 CO -0.04 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1wb6 n GLY 836 N 3.98 5.59 0.23 4.40 0.00 -0.71 -4.96 105.19 113.72 1wb6 n GLY 836 Ca -0.20 -1.48 0.16 0.00 0.00 0.00 0.00 46.02 44.50 1wb6 n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1wb6 h ILE 837 N 0.00 0.00 -0.41 -0.61 3.07 -1.97 -1.13 117.51 116.47 1wb6 h ILE 837 Ca 0.00 -0.19 -0.09 0.00 1.55 0.00 0.00 64.86 66.13 1wb6 h ILE 837 Cb 0.00 0.99 -0.05 0.00 -0.27 0.00 0.00 36.82 37.49 1wb6 h ILE 837 CO 0.00 0.00 0.05 0.59 -1.05 0.00 0.00 178.15 177.74 1wb6 n ASN 838 N -2.66 3.93 0.00 2.16 3.02 -1.26 -4.84 115.26 115.61 1wb6 n ASN 838 Ca -0.00 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1wb6 n ASN 838 Cb 0.16 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1wb6 n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb6 n GLY 839 N -0.50 -1.64 3.68 7.41 0.00 -0.43 -3.44 105.19 110.27 1wb6 n GLY 839 Ca 0.29 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1wb6 n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb6 s THR 840 N 0.00 4.92 0.18 2.61 2.01 -1.26 -1.73 115.64 122.36 1wb6 s THR 840 Ca 0.00 1.59 -0.05 0.00 0.31 0.00 0.00 61.69 63.54 1wb6 s THR 840 Cb 0.00 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1wb6 s THR 840 CO 0.00 0.08 0.21 -0.54 -0.69 0.00 0.00 174.62 173.67 1wb6 s LYS 841 N 1.85 1.17 0.29 4.92 1.02 -0.34 -4.97 119.74 123.69 1wb6 s LYS 841 Ca 0.38 -1.40 0.07 0.00 0.02 0.00 0.00 55.97 55.04 1wb6 s LYS 841 Cb -0.17 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 1wb6 s LYS 841 CO 0.14 -0.41 -0.06 -1.12 -0.92 0.00 0.00 175.35 172.98 1wb6 s SER 842 N -3.06 2.93 0.19 2.83 0.01 -1.26 -1.21 113.70 114.13 1wb6 s SER 842 Ca 0.27 -1.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.19 1wb6 s SER 842 Cb 0.05 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1wb6 s SER 842 CO 0.06 -0.32 0.44 -1.48 0.41 0.00 0.00 173.24 172.35 1wb6 s LEU 843 N -3.47 0.38 -0.01 2.44 0.05 -0.34 -4.30 118.68 113.43 1wb6 s LEU 843 Ca 0.30 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.89 1wb6 s LEU 843 Cb 0.04 1.82 -0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1wb6 s LEU 843 CO 0.13 -1.01 -0.12 0.20 -0.55 0.00 0.00 176.35 175.00 1wb6 s ASN 844 N -2.91 4.21 -0.21 1.48 0.01 -0.81 -1.06 114.94 115.65 1wb6 s ASN 844 Ca 0.12 -0.23 -0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1wb6 s ASN 844 Cb 0.00 -0.88 0.02 0.00 0.41 0.00 0.00 41.25 40.80 1wb6 s ASN 844 CO -0.01 0.30 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.06 1wb6 s VAL 845 N -0.88 2.46 -0.22 1.60 1.01 0.02 -0.97 120.40 123.42 1wb6 s VAL 845 Ca 0.14 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1wb6 s VAL 845 Cb -0.11 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wb6 s VAL 845 CO 0.04 0.35 0.60 -0.47 0.00 0.00 0.00 175.10 175.63 1wb6 s TYR 846 N 1.30 3.34 -0.11 5.22 6.14 0.61 -0.63 117.35 133.22 1wb6 s TYR 846 Ca 0.02 0.84 -0.03 0.00 0.64 0.00 0.00 57.07 58.55 1wb6 s TYR 846 Cb -0.15 -2.78 -0.03 0.00 0.42 0.00 0.00 41.96 39.42 1wb6 s TYR 846 CO -0.08 -0.21 -0.01 -0.51 0.64 0.00 0.00 175.55 175.37 1wb6 s LEU 847 N 2.06 3.48 0.70 6.97 1.43 0.32 -1.64 118.68 132.01 1wb6 s LEU 847 Ca 0.26 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 1wb6 s LEU 847 Cb -0.16 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1wb6 s LEU 847 CO 0.10 0.31 1.15 -2.16 0.23 0.00 0.00 176.35 175.97 1wb6 s PRO 848 N -0.46 2.45 0.27 1.29 0.04 -1.25 -1.97 135.00 135.37 1wb6 s PRO 848 Ca 0.08 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 1wb6 s PRO 848 Cb -0.12 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1wb6 s PRO 848 CO 0.02 -1.55 1.58 0.98 0.04 0.00 0.00 177.00 178.08 1wb6 n TYR 849 N -2.66 2.70 -0.95 0.56 9.36 -1.26 -1.23 117.16 123.68 1wb6 n TYR 849 Ca 0.11 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.59 1wb6 n TYR 849 Cb 0.51 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1wb6 n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wb6 n GLY 850 N 2.50 0.53 3.65 2.98 0.00 -1.26 -4.98 105.19 108.60 1wb6 n GLY 850 Ca 0.11 -0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.52 1wb6 n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wb6 n TYR 851 N -2.95 1.49 -4.06 1.61 9.36 -0.37 -4.94 117.16 117.32 1wb6 n TYR 851 Ca 0.00 0.90 -0.32 0.00 3.32 0.00 0.00 57.90 61.80 1wb6 n TYR 851 Cb 0.00 -2.26 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 1wb6 n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wb6 s ASP 852 N 1.92 3.80 0.26 2.98 -1.08 -1.26 -5.00 116.67 118.28 1wb6 s ASP 852 Ca 0.96 -1.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.09 1wb6 s ASP 852 Cb -1.25 -1.43 0.84 0.00 -1.46 0.00 0.00 42.92 39.63 1wb6 s ASP 852 CO 0.66 -0.13 1.44 -2.65 0.52 0.00 0.00 175.17 175.01 1wb6 n PRO 853 N 4.56 0.10 0.00 4.34 -0.02 -1.26 -1.05 135.00 141.67 1wb6 n PRO 853 Ca -0.16 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1wb6 n PRO 853 Cb 0.45 -1.91 0.43 0.00 -0.02 0.00 0.00 33.50 32.45 1wb6 n PRO 853 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wb6 n ASN 854 N -2.05 0.36 -4.95 2.55 3.02 -1.26 -4.82 115.26 108.11 1wb6 n ASN 854 Ca -0.01 -0.08 -0.23 0.00 -0.03 0.00 0.00 54.58 54.22 1wb6 n ASN 854 Cb 0.10 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1wb6 n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wb6 s LYS 855 N -2.90 3.41 -0.19 3.52 1.02 -0.22 -5.10 119.74 119.28 1wb6 s LYS 855 Ca 0.15 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.36 1wb6 s LYS 855 Cb 0.18 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1wb6 s LYS 855 CO 0.60 0.47 0.07 0.15 -0.92 0.00 0.00 175.35 175.73 1wb6 s LYS 856 N -3.64 3.97 0.00 1.68 1.02 -1.26 -4.73 119.74 116.77 1wb6 s LYS 856 Ca 0.34 -0.34 0.06 0.00 0.02 0.00 0.00 55.97 56.05 1wb6 s LYS 856 Cb -0.10 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1wb6 s LYS 856 CO 0.29 0.21 -0.17 0.71 -0.92 0.00 0.00 175.35 175.47 1wb6 s TYR 857 N 0.54 2.60 0.66 3.18 2.02 -0.27 -4.88 117.35 121.20 1wb6 s TYR 857 Ca 0.04 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.34 1wb6 s TYR 857 Cb -0.13 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1wb6 s TYR 857 CO 0.01 0.21 0.79 0.09 -1.57 0.00 0.00 175.55 175.08 1wb6 n ASN 858 N 1.88 -0.07 -3.91 2.29 5.03 -1.26 -3.67 115.26 115.55 1wb6 n ASN 858 Ca -0.16 0.71 -0.18 0.00 0.87 0.00 0.00 54.58 55.81 1wb6 n ASN 858 Cb 0.52 -1.32 -0.16 0.00 -1.02 0.00 0.00 39.78 37.81 1wb6 n ASN 858 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1wb6 s ILE 859 N -1.72 0.46 -0.17 2.41 2.07 -0.77 -1.50 121.20 121.99 1wb6 s ILE 859 Ca 0.72 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1wb6 s ILE 859 Cb -0.39 -0.46 0.03 0.00 0.13 0.00 0.00 42.46 41.77 1wb6 s ILE 859 CO 0.51 0.18 -0.09 0.12 -1.91 0.00 0.00 174.94 173.75 1wb6 s PHE 860 N 0.55 2.03 -0.11 3.50 5.36 -0.22 -1.03 117.98 128.05 1wb6 s PHE 860 Ca -0.07 -1.24 -0.15 0.00 -0.96 0.00 0.00 56.93 54.51 1wb6 s PHE 860 Cb -0.10 -1.48 -0.05 0.00 -0.34 0.00 0.00 43.02 41.05 1wb6 s PHE 860 CO -0.00 -0.66 0.37 0.71 -1.46 0.00 0.00 175.22 174.18 1wb6 s TYR 861 N 1.53 3.54 -0.08 10.12 1.51 -0.28 -1.00 117.35 132.68 1wb6 s TYR 861 Ca 0.02 0.76 -0.02 0.00 -1.01 0.00 0.00 57.07 56.82 1wb6 s TYR 861 Cb -0.15 -2.38 0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1wb6 s TYR 861 CO -0.09 0.32 0.01 -1.17 -1.11 0.00 0.00 175.55 173.51 1wb6 s LEU 862 N 0.14 0.57 -0.15 -1.29 2.96 0.29 -0.57 118.68 120.63 1wb6 s LEU 862 Ca 0.21 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1wb6 s LEU 862 Cb -0.14 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1wb6 s LEU 862 CO 0.08 -0.21 0.13 -0.32 -1.32 0.00 0.00 176.35 174.70 1wb6 s MET 863 N 1.99 3.74 1.14 1.98 -2.45 0.01 -4.01 119.30 121.70 1wb6 s MET 863 Ca 0.05 -0.19 -0.16 0.00 -1.25 0.00 0.00 55.69 54.13 1wb6 s MET 863 Cb -0.13 -3.26 0.26 0.00 1.25 0.00 0.00 34.83 32.95 1wb6 s MET 863 CO -0.05 0.56 1.09 -3.38 1.05 0.00 0.00 175.02 174.29 1wb6 s HIS 864 N -0.40 1.09 0.50 4.11 -3.43 -1.26 -1.55 115.29 114.34 1wb6 s HIS 864 Ca 0.11 0.71 0.05 0.00 -0.80 0.00 0.00 55.06 55.13 1wb6 s HIS 864 Cb -0.12 -3.34 0.09 0.00 -1.43 0.00 0.00 32.58 27.78 1wb6 s HIS 864 CO 0.01 -3.58 0.69 0.41 -2.00 0.00 0.00 174.74 170.27 1wb6 n GLY 865 N -0.81 1.47 3.74 -1.38 0.00 -1.22 -2.51 105.19 104.48 1wb6 n GLY 865 Ca 0.09 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1wb6 n GLY 865 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb6 n GLY 866 N -0.72 1.10 2.89 -0.02 0.00 -1.26 -2.13 105.19 105.06 1wb6 n GLY 866 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1wb6 n GLY 866 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb6 n GLY 867 N 1.45 0.81 1.94 -0.02 0.00 -1.26 -5.00 105.19 103.11 1wb6 n GLY 867 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1wb6 n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wb6 n GLU 868 N -2.12 0.91 -3.91 1.61 1.02 -0.90 -5.15 120.64 112.10 1wb6 n GLU 868 Ca 0.00 -1.63 -0.13 0.00 -0.02 0.00 0.00 57.16 55.38 1wb6 n GLU 868 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1wb6 n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1wb6 n ASN 869 N -2.37 -1.57 0.16 1.62 0.23 -1.26 -4.92 115.26 107.15 1wb6 n ASN 869 Ca 0.05 -2.81 0.11 0.00 -0.53 0.00 0.00 54.58 51.40 1wb6 n ASN 869 Cb 0.31 2.82 0.57 0.00 -2.08 0.00 0.00 39.78 41.40 1wb6 n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1wb6 n GLU 870 N -0.56 0.15 0.00 -3.83 0.00 -1.26 -1.87 120.64 113.27 1wb6 n GLU 870 Ca -0.02 0.59 0.11 0.00 0.00 0.00 0.00 57.16 57.85 1wb6 n GLU 870 Cb 0.58 -1.95 0.03 0.00 0.00 0.00 0.00 31.44 30.11 1wb6 n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wb6 n ASN 871 N -2.26 0.79 -0.04 -1.84 3.02 -1.26 -4.36 115.26 109.31 1wb6 n ASN 871 Ca -0.01 -0.68 -0.11 0.00 -0.03 0.00 0.00 54.58 53.75 1wb6 n ASN 871 Cb 0.08 0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 39.89 1wb6 n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1wb6 h THR 872 N 0.00 1.13 0.00 3.41 2.02 -1.78 -2.32 112.91 115.37 1wb6 h THR 872 Ca 0.00 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 1wb6 h THR 872 Cb 0.50 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1wb6 h THR 872 CO 0.00 0.12 -0.23 0.40 0.37 0.00 0.00 175.52 176.18 1wb6 h ILE 873 N 0.12 1.11 -0.66 3.11 2.04 -1.82 -1.35 117.51 120.06 1wb6 h ILE 873 Ca 0.05 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1wb6 h ILE 873 Cb 0.13 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1wb6 h ILE 873 CO -0.01 0.23 0.00 0.49 0.00 0.00 0.00 178.15 178.86 1wb6 n PHE 874 N -4.18 0.97 -1.99 1.37 3.72 -1.19 -2.13 117.46 114.03 1wb6 n PHE 874 Ca -0.02 -0.52 -0.29 0.00 -0.05 0.00 0.00 57.45 56.57 1wb6 n PHE 874 Cb 0.29 -0.04 0.12 0.00 -0.94 0.00 0.00 39.48 38.91 1wb6 n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wb6 s SER 875 N -1.00 4.03 0.29 4.37 1.04 -0.51 -4.67 113.70 117.26 1wb6 s SER 875 Ca 0.45 0.49 0.23 0.00 0.48 0.00 0.00 55.95 57.60 1wb6 s SER 875 Cb 0.25 -0.83 1.08 0.00 0.10 0.00 0.00 66.02 66.62 1wb6 s SER 875 CO 0.29 -2.16 1.70 0.59 0.98 0.00 0.00 173.24 174.64 1wb6 n ASN 876 N -3.40 0.64 0.00 7.02 5.03 -1.26 -0.88 115.26 122.40 1wb6 n ASN 876 Ca 0.11 0.72 0.13 0.00 0.87 0.00 0.00 54.58 56.41 1wb6 n ASN 876 Cb 0.60 -0.83 0.59 0.00 -1.02 0.00 0.00 39.78 39.12 1wb6 n ASN 876 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1wb6 n ASP 877 N -2.27 0.00 0.03 6.41 8.00 -1.26 -4.55 116.55 122.91 1wb6 n ASP 877 Ca 0.00 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1wb6 n ASP 877 Cb 0.14 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1wb6 n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wb6 n VAL 878 N -1.50 0.08 -2.96 2.53 0.31 -0.82 -4.70 118.33 111.28 1wb6 n VAL 878 Ca 0.07 0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.26 1wb6 n VAL 878 Cb 0.32 -0.74 0.04 0.00 -0.91 0.00 0.00 33.84 32.54 1wb6 n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wb6 n LYS 879 N -2.86 -4.26 0.23 5.55 5.02 -0.06 -4.89 118.16 116.88 1wb6 n LYS 879 Ca 0.00 0.65 0.06 0.00 -2.02 0.00 0.00 58.31 56.99 1wb6 n LYS 879 Cb 0.09 -4.99 0.53 0.00 -0.02 0.00 0.00 35.03 30.63 1wb6 n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wb6 h LEU 880 N -1.31 0.00 -1.85 -0.35 5.85 -1.71 -1.71 115.31 114.23 1wb6 h LEU 880 Ca -0.39 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1wb6 h LEU 880 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1wb6 h LEU 880 CO 0.41 0.16 0.12 0.06 -0.34 0.00 0.00 178.44 178.85 1wb6 h GLN 881 N 0.00 0.19 -0.37 1.25 -0.00 -1.90 -1.03 115.11 113.24 1wb6 h GLN 881 Ca -0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 1wb6 h GLN 881 Cb 0.29 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.71 1wb6 h GLN 881 CO 0.02 0.13 -0.00 -0.91 -0.00 0.00 0.00 178.83 178.06 1wb6 h ASN 882 N 0.20 0.64 -0.17 0.06 2.35 -1.56 0.61 115.58 117.71 1wb6 h ASN 882 Ca 0.07 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1wb6 h ASN 882 Cb 0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1wb6 h ASN 882 CO -0.01 0.80 0.09 0.40 -1.65 0.00 0.00 177.43 177.06 1wb6 h ILE 883 N 0.47 1.11 -0.15 2.81 2.04 -1.18 -1.41 117.51 121.20 1wb6 h ILE 883 Ca 0.10 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1wb6 h ILE 883 Cb 0.47 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1wb6 h ILE 883 CO 0.02 0.10 -0.00 -0.07 0.00 0.00 0.00 178.15 178.20 1wb6 h LEU 884 N 0.17 -0.06 -0.20 1.44 3.38 -1.12 -0.27 115.31 118.65 1wb6 h LEU 884 Ca 0.06 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wb6 h LEU 884 Cb 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wb6 h LEU 884 CO -0.01 -0.01 0.12 0.44 0.09 0.00 0.00 178.44 179.07 1wb6 h ASP 885 N 0.05 0.19 -0.35 -0.43 3.32 -0.75 -0.50 116.42 117.95 1wb6 h ASP 885 Ca 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1wb6 h ASP 885 Cb 0.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1wb6 h ASP 885 CO -0.12 0.14 -0.21 0.45 -1.72 0.00 0.00 179.24 177.79 1wb6 h HIS 886 N 0.24 0.95 -0.52 4.55 3.86 -1.12 -1.19 115.15 121.92 1wb6 h HIS 886 Ca 0.08 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 1wb6 h HIS 886 Cb -0.01 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1wb6 h HIS 886 CO -0.08 0.97 0.09 0.00 0.86 0.00 0.00 177.93 179.76 1wb6 h ALA 887 N 1.03 0.69 -0.32 2.45 0.00 -0.84 -0.96 119.26 121.32 1wb6 h ALA 887 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1wb6 h ALA 887 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wb6 h ALA 887 CO 0.06 0.43 0.05 0.82 0.00 0.00 0.00 179.25 180.61 1wb6 h ILE 888 N 0.74 1.23 -0.79 0.00 2.04 -1.00 -0.94 117.51 118.81 1wb6 h ILE 888 Ca 0.16 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1wb6 h ILE 888 Cb 0.40 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1wb6 h ILE 888 CO 0.01 0.27 0.40 -0.03 0.00 0.00 0.00 178.15 178.80 1wb6 h MET 889 N 0.36 1.11 -0.00 2.37 4.05 -1.09 -2.31 114.93 119.42 1wb6 h MET 889 Ca 0.10 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1wb6 h MET 889 Cb 0.35 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1wb6 h MET 889 CO 0.01 0.84 -0.03 0.09 0.23 0.00 0.00 176.91 178.04 1wb6 n ASN 890 N -4.33 0.08 0.00 1.39 5.03 -0.38 -4.92 115.26 112.13 1wb6 n ASN 890 Ca 0.08 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1wb6 n ASN 890 Cb 0.12 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 1wb6 n ASN 890 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wb6 n GLY 891 N 1.34 0.57 0.14 7.41 0.00 -0.87 -4.87 105.19 108.91 1wb6 n GLY 891 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1wb6 n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wb6 h GLU 892 N 1.32 0.00 -3.89 1.61 5.08 -1.44 -3.39 114.58 113.86 1wb6 h GLU 892 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 1wb6 h GLU 892 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1wb6 h GLU 892 CO 0.00 0.60 -0.77 -1.17 -1.00 0.00 0.00 179.01 176.67 1wb6 s LEU 893 N -7.23 1.11 0.40 1.33 2.96 -1.13 -4.74 118.68 111.39 1wb6 s LEU 893 Ca -0.00 -0.10 -0.25 0.00 -0.22 0.00 0.00 54.13 53.55 1wb6 s LEU 893 Cb 0.11 -0.42 -0.08 0.00 0.50 0.00 0.00 46.19 46.30 1wb6 s LEU 893 CO 0.75 -0.10 1.22 -1.61 -1.32 0.00 0.00 176.35 175.29 1wb6 s GLU 894 N 1.22 4.01 0.37 1.98 2.02 -1.26 -4.10 118.70 122.94 1wb6 s GLU 894 Ca -0.06 1.96 -0.27 0.00 0.02 0.00 0.00 54.97 56.62 1wb6 s GLU 894 Cb -0.14 -2.70 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 1wb6 s GLU 894 CO -0.02 -0.40 1.32 -0.35 0.02 0.00 0.00 175.26 175.83 1wb6 n PRO 895 N 0.08 2.16 -3.79 0.39 -0.04 -1.26 -4.98 135.00 127.56 1wb6 n PRO 895 Ca 0.04 0.76 -0.10 0.00 -0.04 0.00 0.00 63.50 64.17 1wb6 n PRO 895 Cb 0.45 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 1wb6 n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wb6 s LEU 896 N -1.40 0.24 -0.08 1.53 2.34 -1.26 -4.52 118.68 115.52 1wb6 s LEU 896 Ca 0.57 -0.56 -0.17 0.00 0.06 0.00 0.00 54.13 54.03 1wb6 s LEU 896 Cb -0.53 1.97 -0.05 0.00 -0.56 0.00 0.00 46.19 47.02 1wb6 s LEU 896 CO 0.61 -1.03 0.44 -0.63 -1.06 0.00 0.00 176.35 174.68 1wb6 s ILE 897 N -3.89 5.13 -0.12 1.48 1.01 -0.56 -3.82 121.20 120.43 1wb6 s ILE 897 Ca 0.11 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.68 1wb6 s ILE 897 Cb -0.00 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.70 1wb6 s ILE 897 CO -0.02 0.42 -0.21 -0.69 0.00 0.00 0.00 174.94 174.43 1wb6 s VAL 898 N 0.03 1.94 -0.10 2.92 1.01 -0.65 -1.06 120.40 124.50 1wb6 s VAL 898 Ca 0.24 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1wb6 s VAL 898 Cb -0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1wb6 s VAL 898 CO 0.11 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.87 1wb6 s VAL 899 N 0.65 2.69 -0.45 2.92 1.01 -0.17 -0.28 120.40 126.77 1wb6 s VAL 899 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1wb6 s VAL 899 Cb -0.16 -2.07 0.12 0.00 0.00 0.00 0.00 36.38 34.26 1wb6 s VAL 899 CO 0.03 0.55 0.21 0.42 0.00 0.00 0.00 175.10 176.31 1wb6 s THR 900 N 0.05 2.93 0.00 3.92 -4.23 -0.14 -0.55 115.64 117.63 1wb6 s THR 900 Ca -0.07 -2.53 0.00 0.00 -1.18 0.00 0.00 61.69 57.91 1wb6 s THR 900 Cb -0.15 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1wb6 s THR 900 CO 0.05 -0.72 0.00 -0.81 -0.54 0.00 0.00 174.62 172.60 1wb6 n PRO 901 N 4.03 1.04 -3.95 3.99 -0.04 -1.26 -1.92 135.00 136.88 1wb6 n PRO 901 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1wb6 n PRO 901 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 1wb6 n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wb6 s THR 902 N 0.34 0.09 -2.33 0.52 -1.32 -1.26 -4.13 115.64 107.54 1wb6 s THR 902 Ca 0.00 -0.74 0.22 0.00 -1.21 0.00 0.00 61.69 59.95 1wb6 s THR 902 Cb 0.00 -0.23 0.46 0.00 -1.51 0.00 0.00 72.50 71.22 1wb6 s THR 902 CO 0.00 -0.41 1.55 2.22 -2.21 0.00 0.00 174.62 175.77 1wb6 n PHE 903 N 1.83 0.21 -1.85 9.09 1.16 -1.26 -4.93 117.46 121.71 1wb6 n PHE 903 Ca -0.22 -0.10 -0.30 0.00 -1.87 0.00 0.00 57.45 54.95 1wb6 n PHE 903 Cb 0.56 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.47 1wb6 n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wb6 s ASN 904 N -1.62 5.64 0.00 5.98 0.01 -1.26 -3.36 114.94 120.33 1wb6 s ASN 904 Ca 0.33 1.24 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 1wb6 s ASN 904 Cb 0.18 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1wb6 s ASN 904 CO 0.28 -1.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.24 1wb6 n GLY 905 N -2.85 2.03 7.00 0.66 0.00 -1.26 -4.77 105.19 106.00 1wb6 n GLY 905 Ca 0.07 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1wb6 n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb6 n GLY 906 N 2.00 3.37 0.73 -0.02 0.00 -1.22 -0.97 105.19 109.08 1wb6 n GLY 906 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1wb6 n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb6 n ASN 907 N 3.93 2.13 -4.77 1.61 4.13 -1.26 -4.97 115.26 116.06 1wb6 n ASN 907 Ca 0.00 -1.89 -0.38 0.00 1.68 0.00 0.00 54.58 53.99 1wb6 n ASN 907 Cb 0.00 -0.21 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 1wb6 n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb6 s THR 909 N -1.47 0.16 0.36 0.00 -4.23 -1.21 -4.54 115.64 104.71 1wb6 s THR 909 Ca 0.52 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1wb6 s THR 909 Cb -0.25 -2.29 0.30 0.00 1.34 0.00 0.00 72.50 71.59 1wb6 s THR 909 CO 0.32 -0.23 1.94 0.00 -0.54 0.00 0.00 174.62 176.11 1wb6 h ALA 910 N 2.70 1.71 -0.07 3.99 0.00 -1.90 -1.91 119.26 123.78 1wb6 h ALA 910 Ca -0.36 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 1wb6 h ALA 910 Cb 1.22 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wb6 h ALA 910 CO 0.57 0.16 -0.83 0.37 0.00 0.00 0.00 179.25 179.52 1wb6 h GLN 911 N 0.77 0.57 -0.12 0.00 4.15 -1.90 -3.34 115.11 115.24 1wb6 h GLN 911 Ca 0.34 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1wb6 h GLN 911 Cb 0.32 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1wb6 h GLN 911 CO -0.12 1.14 0.00 0.27 -1.93 0.00 0.00 178.83 178.19 1wb6 n ASN 912 N -3.85 2.93 -0.10 -0.69 0.23 -1.05 -4.58 115.26 108.14 1wb6 n ASN 912 Ca -0.07 -1.91 0.13 0.00 -0.53 0.00 0.00 54.58 52.20 1wb6 n ASN 912 Cb 0.77 -0.06 0.50 0.00 -2.08 0.00 0.00 39.78 38.91 1wb6 n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1wb6 h PHE 913 N 4.16 0.45 -0.82 -2.53 3.57 -1.48 -2.17 116.94 118.12 1wb6 h PHE 913 Ca 0.00 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.74 1wb6 h PHE 913 Cb 0.90 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1wb6 h PHE 913 CO 0.06 0.20 0.58 0.10 -2.23 0.00 0.00 178.31 177.03 1wb6 h TYR 914 N 0.41 0.08 -0.15 0.41 -0.00 -1.85 -0.43 116.97 115.44 1wb6 h TYR 914 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.99 1wb6 h TYR 914 Cb 0.62 -0.03 -0.00 0.00 0.00 0.00 0.00 36.73 37.32 1wb6 h TYR 914 CO -0.00 0.02 -0.06 1.96 -0.00 0.00 0.00 178.16 180.08 1wb6 h GLN 915 N 0.06 0.31 -1.00 0.10 1.08 -1.76 -1.43 115.11 112.47 1wb6 h GLN 915 Ca 0.40 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.47 1wb6 h GLN 915 Cb 1.48 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.85 1wb6 h GLN 915 CO -0.03 0.62 0.67 1.49 -0.95 0.00 0.00 178.83 180.63 1wb6 h GLU 916 N -0.01 1.32 -0.29 1.46 4.81 -1.53 -1.84 114.58 118.50 1wb6 h GLU 916 Ca 0.04 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1wb6 h GLU 916 Cb 0.52 -0.30 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1wb6 h GLU 916 CO 0.02 0.87 0.03 0.35 -0.73 0.00 0.00 179.01 179.55 1wb6 h PHE 917 N 1.36 0.05 -0.27 0.92 3.57 -0.89 0.10 116.94 121.78 1wb6 h PHE 917 Ca 0.37 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.82 1wb6 h PHE 917 Cb -0.15 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1wb6 h PHE 917 CO -0.00 -0.01 -0.09 0.00 -2.23 0.00 0.00 178.31 175.98 1wb6 h ARG 918 N 0.13 0.54 0.01 1.11 3.08 -0.99 -1.63 114.38 116.62 1wb6 h ARG 918 Ca 0.13 -0.22 -0.29 0.00 0.07 0.00 0.00 59.98 59.68 1wb6 h ARG 918 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1wb6 h ARG 918 CO -0.20 0.77 -1.66 1.96 -1.07 0.00 0.00 179.97 179.77 1wb6 h GLN 919 N 0.29 0.02 0.00 0.04 4.20 -1.25 -3.42 115.11 114.98 1wb6 h GLN 919 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1wb6 h GLN 919 Cb 0.58 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1wb6 h GLN 919 CO 0.03 0.58 -0.79 0.09 -0.67 0.00 0.00 178.83 178.07 1wb6 n ASN 920 N -3.10 0.33 0.02 1.46 5.03 0.26 -4.68 115.26 114.58 1wb6 n ASN 920 Ca -0.16 0.04 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1wb6 n ASN 920 Cb 1.04 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 39.60 1wb6 n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wb6 h VAL 921 N -0.03 1.20 0.35 2.41 2.07 -1.17 -1.50 116.25 119.59 1wb6 h VAL 921 Ca -0.02 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1wb6 h VAL 921 Cb 0.77 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1wb6 h VAL 921 CO -0.01 0.21 -0.23 0.40 0.02 0.00 0.00 177.57 177.97 1wb6 h ILE 922 N -0.45 0.52 -0.59 4.57 2.04 -1.54 -0.93 117.51 121.13 1wb6 h ILE 922 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1wb6 h ILE 922 Cb 0.40 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1wb6 h ILE 922 CO 0.01 0.00 0.28 -0.65 0.00 0.00 0.00 178.15 177.79 1wb6 h PRO 923 N -0.56 0.83 0.14 2.37 0.11 -1.80 -0.66 132.00 132.42 1wb6 h PRO 923 Ca -0.03 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1wb6 h PRO 923 Cb 0.47 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1wb6 h PRO 923 CO 0.03 0.65 -0.07 0.35 -0.21 0.00 0.00 178.00 178.74 1wb6 h PHE 924 N 0.83 -0.17 -0.14 0.65 3.57 -1.04 -1.45 116.94 119.18 1wb6 h PHE 924 Ca 0.21 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1wb6 h PHE 924 Cb 0.09 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1wb6 h PHE 924 CO 0.01 -0.02 -0.08 0.28 -2.23 0.00 0.00 178.31 176.27 1wb6 h VAL 925 N -0.30 1.32 -0.00 1.41 2.07 -1.04 -3.26 116.25 116.45 1wb6 h VAL 925 Ca -0.02 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1wb6 h VAL 925 Cb 0.24 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1wb6 h VAL 925 CO 0.03 0.33 -0.13 -0.62 0.02 0.00 0.00 177.57 177.21 1wb6 n GLU 926 N -4.64 0.24 0.12 1.57 1.02 -0.27 -1.40 120.64 117.28 1wb6 n GLU 926 Ca -0.06 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 56.99 1wb6 n GLU 926 Cb 0.30 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1wb6 n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wb6 h SER 927 N 0.15 0.07 0.05 1.62 4.64 -1.30 -3.38 113.55 115.39 1wb6 h SER 927 Ca 0.00 -0.04 -0.37 0.00 -0.47 0.00 0.00 61.79 60.91 1wb6 h SER 927 Cb 0.43 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1wb6 h SER 927 CO 0.00 0.70 -2.16 1.17 -0.87 0.00 0.00 176.83 175.67 1wb6 n LYS 928 N -3.79 0.68 -4.37 4.77 4.81 -0.85 -4.99 118.16 114.43 1wb6 n LYS 928 Ca -0.01 0.25 -0.32 0.00 -0.87 0.00 0.00 58.31 57.36 1wb6 n LYS 928 Cb 0.64 -1.62 -0.10 0.00 0.02 0.00 0.00 35.03 33.97 1wb6 n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1wb6 s TYR 929 N -2.52 2.90 -0.77 5.64 2.02 -0.49 -5.06 117.35 119.07 1wb6 s TYR 929 Ca -0.29 -0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.14 1wb6 s TYR 929 Cb 0.08 -1.58 0.08 0.00 -0.40 0.00 0.00 41.96 40.14 1wb6 s TYR 929 CO 0.66 0.40 1.08 0.45 -1.57 0.00 0.00 175.55 176.58 1wb6 s SER 930 N -1.66 6.32 0.04 2.29 0.15 -1.26 -4.50 113.70 115.08 1wb6 s SER 930 Ca 0.19 -1.25 0.01 0.00 0.70 0.00 0.00 55.95 55.60 1wb6 s SER 930 Cb -0.11 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1wb6 s SER 930 CO 0.10 -1.39 0.05 0.35 1.20 0.00 0.00 173.24 173.55 1wb6 n THR 931 N 5.96 0.00 1.09 6.45 -2.24 -1.26 -1.12 114.28 123.16 1wb6 n THR 931 Ca 0.07 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1wb6 n THR 931 Cb 0.47 -0.79 0.60 0.00 -2.10 0.00 0.00 70.33 68.51 1wb6 n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wb6 n TYR 932 N -0.93 0.00 -2.05 4.78 4.02 -1.24 -4.35 117.16 117.38 1wb6 n TYR 932 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1wb6 n TYR 932 Cb 0.05 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 1wb6 n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wb6 s ALA 933 N -2.67 3.63 0.10 -0.72 0.00 -1.26 -4.76 121.76 116.07 1wb6 s ALA 933 Ca 0.21 0.95 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1wb6 s ALA 933 Cb 0.16 -3.71 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1wb6 s ALA 933 CO 0.39 -1.25 1.32 0.93 0.00 0.00 0.00 175.76 177.15 1wb6 h GLU 934 N 8.97 0.00 -4.34 0.00 5.08 -1.87 -3.46 114.58 118.96 1wb6 h GLU 934 Ca -0.39 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.80 1wb6 h GLU 934 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 1wb6 h GLU 934 CO 0.94 0.92 -0.60 -1.54 -1.00 0.00 0.00 179.01 177.73 1wb6 s SER 935 N -6.69 0.28 -0.27 1.42 1.04 -1.26 -5.06 113.70 103.16 1wb6 s SER 935 Ca 0.01 -1.15 0.12 0.00 0.48 0.00 0.00 55.95 55.42 1wb6 s SER 935 Cb 0.10 0.31 0.64 0.00 0.10 0.00 0.00 66.02 67.17 1wb6 s SER 935 CO 0.81 -0.75 1.62 0.35 0.98 0.00 0.00 173.24 176.25 1wb6 n THR 936 N -0.10 2.66 -1.26 2.02 -2.24 -1.26 -3.68 114.28 110.42 1wb6 n THR 936 Ca -0.06 -1.91 -0.30 0.00 -2.27 0.00 0.00 64.05 59.50 1wb6 n THR 936 Cb 0.63 -0.32 0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1wb6 n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wb6 s THR 937 N -2.98 3.08 0.29 4.28 -4.23 -1.26 -4.77 115.64 110.04 1wb6 s THR 937 Ca 0.49 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.39 1wb6 s THR 937 Cb 0.40 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.67 1wb6 s THR 937 CO 0.10 -0.46 1.73 -0.65 -0.54 0.00 0.00 174.62 174.80 1wb6 h PRO 938 N -1.28 0.51 -0.55 3.99 0.11 -1.98 -0.54 132.00 132.26 1wb6 h PRO 938 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1wb6 h PRO 938 Cb 1.25 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1wb6 h PRO 938 CO 0.53 0.34 0.26 1.96 -0.21 0.00 0.00 178.00 180.88 1wb6 h GLN 939 N 0.53 0.80 -0.44 1.05 7.50 -1.94 -0.63 115.11 121.99 1wb6 h GLN 939 Ca 0.55 -0.12 -0.09 0.00 0.50 0.00 0.00 58.65 59.49 1wb6 h GLN 939 Cb 0.97 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.34 1wb6 h GLN 939 CO -0.46 0.67 -0.09 0.78 -1.50 0.00 0.00 178.83 178.22 1wb6 h GLY 940 N 0.75 0.84 0.73 3.46 0.00 -1.46 -0.74 103.07 106.64 1wb6 h GLY 940 Ca 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1wb6 h GLY 940 CO -0.02 0.57 -0.05 -2.22 0.00 0.00 0.00 176.54 174.82 1wb6 h ILE 941 N 0.71 1.31 -0.91 2.60 2.04 -0.98 -3.03 117.51 119.24 1wb6 h ILE 941 Ca 0.12 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1wb6 h ILE 941 Cb 0.57 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1wb6 h ILE 941 CO 0.04 0.30 0.58 0.00 0.00 0.00 0.00 178.15 179.07 1wb6 h ALA 942 N 0.67 1.31 0.00 1.87 0.00 -1.04 -2.23 119.26 119.84 1wb6 h ALA 942 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wb6 h ALA 942 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wb6 h ALA 942 CO 0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1wb6 h ALA 943 N 1.40 1.00 -0.26 0.00 0.00 -1.09 -2.85 119.26 117.46 1wb6 h ALA 943 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wb6 h ALA 943 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wb6 h ALA 943 CO -0.07 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 1wb6 n SER 944 N -2.47 3.39 0.24 0.00 3.41 -0.85 -4.74 113.62 112.59 1wb6 n SER 944 Ca 0.01 -2.63 0.10 0.00 -0.26 0.00 0.00 58.87 56.09 1wb6 n SER 944 Cb 0.22 -0.41 0.68 0.00 -0.26 0.00 0.00 64.21 64.44 1wb6 n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1wb6 h ARG 945 N 1.69 0.00 0.00 4.33 0.11 -1.32 -1.52 114.38 117.67 1wb6 h ARG 945 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wb6 h ARG 945 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1wb6 h ARG 945 CO 0.12 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.86 1wb6 n MET 946 N -4.44 0.04 -0.37 0.08 2.81 -1.26 -2.29 117.12 111.67 1wb6 n MET 946 Ca -0.02 0.31 0.07 0.00 -1.81 0.00 0.00 57.70 56.25 1wb6 n MET 946 Cb 0.13 -1.57 0.20 0.00 -0.71 0.00 0.00 33.22 31.27 1wb6 n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wb6 n HIS 947 N -1.64 0.51 -4.37 2.03 8.25 -0.57 -4.73 115.22 114.70 1wb6 n HIS 947 Ca 0.03 -1.10 -0.20 0.00 -0.26 0.00 0.00 57.72 56.19 1wb6 n HIS 947 Cb 0.16 -0.27 -0.15 0.00 1.12 0.00 0.00 29.99 30.84 1wb6 n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1wb6 s ARG 948 N -2.96 0.91 0.09 -0.41 3.52 -1.00 -1.85 118.95 117.25 1wb6 s ARG 948 Ca 0.38 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1wb6 s ARG 948 Cb 0.33 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 1wb6 s ARG 948 CO 0.04 0.12 -0.06 0.20 -0.81 0.00 0.00 175.30 174.78 1wb6 s GLY 949 N 0.16 0.74 -0.02 8.12 0.00 -0.20 -2.20 107.32 113.92 1wb6 s GLY 949 Ca -0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1wb6 s GLY 949 CO 0.00 -1.44 0.03 -0.12 0.00 0.00 0.00 173.10 171.58 1wb6 s PHE 950 N -3.64 -0.02 0.33 1.90 2.19 -0.07 -1.13 117.98 117.55 1wb6 s PHE 950 Ca 0.11 0.11 -0.03 0.00 0.33 0.00 0.00 56.93 57.46 1wb6 s PHE 950 Cb 0.05 -0.08 -0.00 0.00 -1.31 0.00 0.00 43.02 41.68 1wb6 s PHE 950 CO -0.05 -0.05 0.45 0.20 1.83 0.00 0.00 175.22 177.60 1wb6 s GLY 951 N 0.44 1.47 0.00 13.12 0.00 0.26 -0.51 107.32 122.11 1wb6 s GLY 951 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1wb6 s GLY 951 CO -0.01 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.68 1wb6 n GLY 952 N -0.55 1.17 3.39 0.20 0.00 -0.92 -0.81 105.19 107.68 1wb6 n GLY 952 Ca 0.01 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1wb6 n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb6 s PHE 953 N -2.00 2.87 0.00 1.61 5.36 -0.60 -0.95 117.98 124.27 1wb6 s PHE 953 Ca 0.00 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1wb6 s PHE 953 Cb 0.00 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1wb6 s PHE 953 CO 0.00 -0.20 0.00 0.00 -1.46 0.00 0.00 175.22 173.56 1wb6 n ALA 954 N 3.62 0.00 0.25 11.12 0.00 -0.03 -0.25 120.51 135.22 1wb6 n ALA 954 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1wb6 n ALA 954 Cb 0.52 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.78 1wb6 n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wb6 h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.84 0.13 114.93 116.08 1wb6 h MET 955 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wb6 h MET 955 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1wb6 h MET 955 CO 0.00 0.00 -0.14 0.78 1.06 0.00 0.00 176.91 178.61 1wb6 h GLY 956 N 0.00 0.00 0.87 8.32 0.00 -0.31 -0.94 103.07 111.01 1wb6 h GLY 956 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1wb6 h GLY 956 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1wb6 h GLY 957 N 2.56 0.54 0.46 4.60 0.00 -0.57 -1.73 103.07 108.94 1wb6 h GLY 957 Ca -0.00 -0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.00 1wb6 h GLY 957 CO 0.02 0.37 0.12 -2.00 0.00 0.00 0.00 176.54 175.05 1wb6 h LEU 958 N 0.29 0.07 -0.75 3.11 7.12 -1.09 -1.81 115.31 122.26 1wb6 h LEU 958 Ca 0.08 0.07 0.12 0.00 0.13 0.00 0.00 57.88 58.28 1wb6 h LEU 958 Cb 0.42 0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.56 1wb6 h LEU 958 CO 0.01 0.07 0.36 0.74 -0.13 0.00 0.00 178.44 179.49 1wb6 h THR 959 N 0.27 0.78 -0.70 1.05 2.02 -1.07 -1.90 112.91 113.36 1wb6 h THR 959 Ca 0.23 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1wb6 h THR 959 Cb 0.28 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1wb6 h THR 959 CO -0.27 0.10 0.44 0.74 0.37 0.00 0.00 175.52 176.90 1wb6 h THR 960 N 0.57 1.12 -0.65 3.16 2.02 -0.53 0.12 112.91 118.73 1wb6 h THR 960 Ca 0.39 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1wb6 h THR 960 Cb 0.49 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1wb6 h THR 960 CO -0.32 0.16 0.07 -0.50 0.37 0.00 0.00 175.52 175.31 1wb6 h TRP 961 N 0.88 1.17 -0.22 3.16 4.06 -0.61 0.32 115.95 124.72 1wb6 h TRP 961 Ca 0.27 -0.18 -0.09 0.00 2.06 0.00 0.00 58.89 60.95 1wb6 h TRP 961 Cb -0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.81 1wb6 h TRP 961 CO -0.04 1.00 -0.27 1.88 -3.56 0.00 0.00 178.44 177.45 1wb6 h TYR 962 N 1.01 0.48 -0.42 0.49 -1.99 -0.99 -1.70 116.97 113.85 1wb6 h TYR 962 Ca 0.19 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 1wb6 h TYR 962 Cb 0.48 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1wb6 h TYR 962 CO 0.04 0.66 0.20 0.28 -0.00 0.00 0.00 178.16 179.34 1wb6 h VAL 963 N 0.38 1.18 -0.20 -2.88 2.07 -0.42 -2.34 116.25 114.04 1wb6 h VAL 963 Ca 0.05 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1wb6 h VAL 963 Cb 0.67 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1wb6 h VAL 963 CO 0.05 0.20 0.06 -0.03 0.02 0.00 0.00 177.57 177.86 1wb6 h MET 964 N 0.54 0.14 0.00 1.57 1.85 -0.55 0.25 114.93 118.73 1wb6 h MET 964 Ca 0.14 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1wb6 h MET 964 Cb 0.13 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1wb6 h MET 964 CO -0.02 0.09 -0.17 -0.39 -0.40 0.00 0.00 176.91 176.03 1wb6 h VAL 965 N 0.14 0.37 -0.00 -5.77 -1.51 -1.29 -3.05 116.25 105.14 1wb6 h VAL 965 Ca 0.09 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1wb6 h VAL 965 Cb 0.06 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1wb6 h VAL 965 CO -0.10 0.16 -0.73 0.59 -1.23 0.00 0.00 177.57 176.27 1wb6 n ASN 966 N -3.25 1.08 -1.14 4.19 3.02 -0.89 -4.68 115.26 113.59 1wb6 n ASN 966 Ca 0.01 -1.04 0.04 0.00 -0.03 0.00 0.00 54.58 53.55 1wb6 n ASN 966 Cb 0.45 0.87 0.04 0.00 -0.61 0.00 0.00 39.78 40.53 1wb6 n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wb6 h LEU 968 N 0.76 0.00 -2.02 0.00 3.38 -1.70 -0.42 115.31 115.32 1wb6 h LEU 968 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1wb6 h LEU 968 Cb 1.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 1wb6 h LEU 968 CO 0.06 0.00 -0.10 -2.24 0.09 0.00 0.00 178.44 176.26 1wb6 h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.23 116.42 112.88 1wb6 h ASP 969 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1wb6 h ASP 969 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1wb6 h ASP 969 CO -0.00 0.10 -1.52 -1.22 -1.03 0.00 0.00 179.24 175.57 1wb6 n TYR 970 N -3.77 0.00 -4.08 4.15 4.01 -0.28 -4.32 117.16 112.88 1wb6 n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1wb6 n TYR 970 Cb 0.20 -0.28 -0.16 0.00 -0.31 0.00 0.00 39.34 38.80 1wb6 n TYR 970 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1wb6 s VAL 971 N -2.85 0.35 -0.06 -0.72 1.01 -0.55 -4.38 120.40 113.19 1wb6 s VAL 971 Ca -0.04 -0.08 0.13 0.00 0.00 0.00 0.00 61.98 61.99 1wb6 s VAL 971 Cb 0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 36.38 35.90 1wb6 s VAL 971 CO 0.54 0.15 0.20 0.00 0.00 0.00 0.00 175.10 176.00 1wb6 n ALA 972 N 3.67 2.18 -2.98 5.51 0.00 -0.93 -4.48 120.51 123.47 1wb6 n ALA 972 Ca -0.21 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.36 1wb6 n ALA 972 Cb 0.53 -0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 1wb6 n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wb6 s TYR 973 N -2.71 2.55 -0.04 0.00 1.51 -1.13 -0.89 117.35 116.64 1wb6 s TYR 973 Ca -0.06 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.20 1wb6 s TYR 973 Cb 0.07 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1wb6 s TYR 973 CO 0.57 -0.29 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.53 1wb6 s PHE 974 N 0.10 1.32 -0.52 2.71 0.08 -0.23 -0.90 117.98 120.55 1wb6 s PHE 974 Ca -0.11 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.63 1wb6 s PHE 974 Cb -0.16 -0.93 0.25 0.00 -0.57 0.00 0.00 43.02 41.61 1wb6 s PHE 974 CO 0.06 -0.16 0.64 -0.12 -0.10 0.00 0.00 175.22 175.54 1wb6 n MET 975 N 3.34 1.67 -2.29 0.44 1.56 0.33 -1.14 117.12 121.04 1wb6 n MET 975 Ca -0.19 -3.99 -0.42 0.00 -0.27 0.00 0.00 57.70 52.82 1wb6 n MET 975 Cb 0.53 -1.77 -0.03 0.00 2.15 0.00 0.00 33.22 34.10 1wb6 n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wb6 s PRO 976 N -1.85 4.31 -0.21 2.12 0.04 -1.25 -2.15 135.00 136.00 1wb6 s PRO 976 Ca 0.37 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1wb6 s PRO 976 Cb 0.16 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 31.17 1wb6 s PRO 976 CO -0.06 -0.53 -0.14 -0.51 0.04 0.00 0.00 177.00 175.80 1wb6 s LEU 977 N 2.26 2.61 -1.45 -3.56 1.43 -0.12 -1.95 118.68 117.90 1wb6 s LEU 977 Ca 0.62 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1wb6 s LEU 977 Cb -0.30 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1wb6 s LEU 977 CO 0.25 -0.05 0.71 -1.20 0.23 0.00 0.00 176.35 176.29 1wb6 n SER 978 N 4.63 -2.21 -3.63 2.29 7.64 -0.02 -0.85 113.62 121.46 1wb6 n SER 978 Ca -0.19 -0.89 -0.15 0.00 1.01 0.00 0.00 58.87 58.66 1wb6 n SER 978 Cb 0.48 -3.56 -0.07 0.00 -1.01 0.00 0.00 64.21 60.05 1wb6 n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wb6 s GLY 979 N -3.94 -0.48 0.44 0.23 0.00 -1.26 -3.14 107.32 99.18 1wb6 s GLY 979 Ca 0.28 1.49 0.08 0.00 0.00 0.00 0.00 44.72 46.57 1wb6 s GLY 979 CO 0.85 1.21 0.55 0.51 0.00 0.00 0.00 173.10 176.23 1wb6 s ASP 980 N -0.31 5.45 -0.44 1.64 -4.77 -1.26 -4.62 116.67 112.35 1wb6 s ASP 980 Ca -0.05 -0.56 -0.22 0.00 -3.30 0.00 0.00 52.55 48.43 1wb6 s ASP 980 Cb -0.03 -0.50 0.02 0.00 -1.09 0.00 0.00 42.92 41.32 1wb6 s ASP 980 CO 0.04 -0.82 0.70 -0.47 0.70 0.00 0.00 175.17 175.33 1wb6 s TYR 981 N -2.42 3.04 -1.23 2.11 5.04 -1.26 -4.25 117.35 118.38 1wb6 s TYR 981 Ca 0.54 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 55.09 1wb6 s TYR 981 Cb -0.08 -3.46 0.15 0.00 0.35 0.00 0.00 41.96 38.92 1wb6 s TYR 981 CO 0.32 -0.90 1.49 -1.58 -1.34 0.00 0.00 175.55 173.55 1wb6 s TRP 982 N 3.00 3.37 -0.37 4.97 0.52 -1.26 -4.75 118.94 124.41 1wb6 s TRP 982 Ca 0.26 -2.04 0.06 0.00 0.02 0.00 0.00 56.10 54.39 1wb6 s TRP 982 Cb -0.13 -4.40 0.18 0.00 -1.15 0.00 0.00 33.47 27.96 1wb6 s TRP 982 CO 0.20 -1.47 0.55 -0.47 0.02 0.00 0.00 176.95 175.77 1wb6 s TYR 983 N 2.08 -1.36 0.00 -1.98 5.04 -1.26 -5.13 117.35 114.74 1wb6 s TYR 983 Ca 0.45 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1wb6 s TYR 983 Cb -0.02 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1wb6 s TYR 983 CO 0.02 -1.10 0.00 0.41 -1.34 0.00 0.00 175.55 173.53 1wb6 n GLY 984 N 4.59 4.08 0.65 8.97 0.00 -1.26 -3.73 105.19 118.49 1wb6 n GLY 984 Ca 0.09 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.71 1wb6 n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb6 n ASN 985 N 0.00 2.01 -3.88 1.61 3.02 -1.26 -4.87 115.26 111.90 1wb6 n ASN 985 Ca 0.00 -1.68 -0.09 0.00 -0.03 0.00 0.00 54.58 52.77 1wb6 n ASN 985 Cb 0.00 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1wb6 n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wb6 s SER 986 N -1.91 -0.09 0.38 6.41 1.04 -1.26 -5.01 113.70 113.27 1wb6 s SER 986 Ca 0.35 -0.73 0.06 0.00 0.48 0.00 0.00 55.95 56.11 1wb6 s SER 986 Cb 0.20 0.51 0.76 0.00 0.10 0.00 0.00 66.02 67.60 1wb6 s SER 986 CO 0.31 -0.98 1.98 -0.65 0.98 0.00 0.00 173.24 174.89 1wb6 h PRO 987 N 2.38 0.51 -0.76 4.02 0.11 -1.90 -2.29 132.00 134.07 1wb6 h PRO 987 Ca -0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1wb6 h PRO 987 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1wb6 h PRO 987 CO 0.43 0.43 0.25 1.96 -0.21 0.00 0.00 178.00 180.85 1wb6 h GLN 988 N 0.51 1.18 -0.77 1.05 7.50 -1.95 -0.61 115.11 122.02 1wb6 h GLN 988 Ca 0.13 -0.25 0.01 0.00 0.50 0.00 0.00 58.65 59.04 1wb6 h GLN 988 Cb 0.11 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.42 1wb6 h GLN 988 CO -0.01 0.99 0.51 -0.44 -1.50 0.00 0.00 178.83 178.37 1wb6 h ASP 989 N 1.13 0.88 0.26 1.46 5.19 -1.77 0.19 116.42 123.77 1wb6 h ASP 989 Ca 0.25 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1wb6 h ASP 989 Cb 0.29 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1wb6 h ASP 989 CO -0.01 0.64 -0.13 0.11 -3.12 0.00 0.00 179.24 176.73 1wb6 h LYS 990 N 1.04 -0.34 -0.70 3.56 1.57 -1.12 -1.29 116.57 119.28 1wb6 h LYS 990 Ca 0.28 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1wb6 h LYS 990 Cb -0.12 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1wb6 h LYS 990 CO -0.06 -0.16 0.45 0.00 -0.57 0.00 0.00 179.45 179.10 1wb6 h ALA 991 N 0.27 0.91 -0.21 3.86 0.00 -0.91 -2.25 119.26 120.93 1wb6 h ALA 991 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wb6 h ALA 991 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1wb6 h ALA 991 CO 0.06 0.24 -0.16 -0.91 0.00 0.00 0.00 179.25 178.48 1wb6 h ASN 992 N 0.88 0.33 -0.42 0.00 2.35 -0.51 -0.24 115.58 117.97 1wb6 h ASN 992 Ca 0.28 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1wb6 h ASN 992 Cb -0.01 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1wb6 h ASN 992 CO -0.09 0.52 0.07 -1.28 -1.65 0.00 0.00 177.43 175.00 1wb6 h SER 993 N 0.32 0.67 -0.30 5.81 0.87 -0.91 0.45 113.55 120.46 1wb6 h SER 993 Ca 0.06 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1wb6 h SER 993 Cb 0.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1wb6 h SER 993 CO 0.03 0.76 0.14 0.40 -0.53 0.00 0.00 176.83 177.63 1wb6 h ILE 994 N 0.56 1.15 -0.58 2.23 2.04 -1.01 -1.77 117.51 120.13 1wb6 h ILE 994 Ca 0.13 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1wb6 h ILE 994 Cb 0.37 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1wb6 h ILE 994 CO 0.01 0.16 0.27 0.00 0.00 0.00 0.00 178.15 178.58 1wb6 h ALA 995 N 1.00 0.75 -0.42 1.87 0.00 -0.85 -1.10 119.26 120.51 1wb6 h ALA 995 Ca 0.10 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1wb6 h ALA 995 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wb6 h ALA 995 CO -0.01 -0.11 -0.02 0.93 0.00 0.00 0.00 179.25 180.04 1wb6 h GLU 996 N 0.49 0.69 -0.60 0.00 5.08 -0.68 0.11 114.58 119.68 1wb6 h GLU 996 Ca 0.27 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1wb6 h GLU 996 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1wb6 h GLU 996 CO -0.22 0.72 0.17 0.00 -1.00 0.00 0.00 179.01 178.68 1wb6 h ALA 997 N 1.33 0.78 -0.33 3.43 0.00 -0.79 -0.37 119.26 123.31 1wb6 h ALA 997 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wb6 h ALA 997 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1wb6 h ALA 997 CO 0.02 0.46 0.19 0.82 0.00 0.00 0.00 179.25 180.74 1wb6 h ILE 998 N 0.85 1.13 -0.41 0.00 2.04 -0.68 -1.18 117.51 119.25 1wb6 h ILE 998 Ca 0.19 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1wb6 h ILE 998 Cb 0.31 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1wb6 h ILE 998 CO -0.00 0.13 0.18 0.78 0.00 0.00 0.00 178.15 179.23 1wb6 h ASN 999 N 0.42 0.23 -0.56 1.72 -0.26 -0.50 -2.21 115.58 114.42 1wb6 h ASN 999 Ca 0.12 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1wb6 h ASN 999 Cb 0.04 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1wb6 h ASN 999 CO -0.02 0.17 0.33 0.03 -1.06 0.00 0.00 177.43 176.88 1wb6 h ARG 1000N 0.36 0.78 0.00 0.81 2.47 -0.81 -2.61 114.38 115.39 1wb6 h ARG 1000Ca 0.19 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1wb6 h ARG 1000Cb 0.13 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1wb6 h ARG 1000CO -0.16 0.56 -0.23 0.66 0.56 0.00 0.00 179.97 181.36 1wb6 h SER 1001N 0.80 0.00 0.00 7.04 4.64 -0.59 -3.47 113.55 121.97 1wb6 h SER 1001Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1wb6 h SER 1001Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1wb6 h SER 1001CO -0.04 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1wb6 n GLY 1002N -0.37 0.43 3.79 -0.77 0.00 -0.98 -4.99 105.19 102.29 1wb6 n GLY 1002Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wb6 n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb6 s LEU 1003N 0.00 3.88 0.70 0.99 1.43 -1.26 -5.05 118.68 119.38 1wb6 s LEU 1003Ca 0.00 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1wb6 s LEU 1003Cb 0.00 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.75 1wb6 s LEU 1003CO 0.00 -0.85 1.09 -0.94 0.23 0.00 0.00 176.35 175.87 1wb6 s SER 1004N -1.81 5.46 0.11 2.29 1.04 -1.26 -4.93 113.70 114.60 1wb6 s SER 1004Ca 0.67 1.11 0.13 0.00 0.48 0.00 0.00 55.95 58.34 1wb6 s SER 1004Cb -0.20 -1.92 0.60 0.00 0.10 0.00 0.00 66.02 64.60 1wb6 s SER 1004CO 0.24 -1.32 1.40 0.29 0.98 0.00 0.00 173.24 174.83 1wb6 n LYS 1005N -2.98 0.06 -0.16 4.02 5.02 -1.26 -1.59 118.16 121.27 1wb6 n LYS 1005Ca 0.07 0.44 0.09 0.00 -2.02 0.00 0.00 58.31 56.88 1wb6 n LYS 1005Cb 0.57 -1.66 0.27 0.00 -0.02 0.00 0.00 35.03 34.19 1wb6 n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wb6 n ARG 1006N -1.78 1.93 0.00 1.97 5.12 -1.26 -4.24 116.66 118.39 1wb6 n ARG 1006Ca 0.01 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.51 1wb6 n ARG 1006Cb 0.10 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1wb6 n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wb6 n GLU 1007N 0.64 1.81 -3.71 5.56 1.02 -0.62 -4.96 120.64 120.38 1wb6 n GLU 1007Ca 0.16 -1.17 -0.14 0.00 -0.02 0.00 0.00 57.16 55.99 1wb6 n GLU 1007Cb 0.37 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 1wb6 n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wb6 s TYR 1008N -0.68 -0.26 -0.11 -0.32 -0.85 -1.26 -4.70 117.35 109.18 1wb6 s TYR 1008Ca 0.00 0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.85 1wb6 s TYR 1008Cb 0.00 0.16 0.04 0.00 0.38 0.00 0.00 41.96 42.54 1wb6 s TYR 1008CO 0.00 -0.46 0.27 -0.06 -1.52 0.00 0.00 175.55 173.78 1wb6 s PHE 1009N -1.57 -0.35 -0.17 -3.49 0.40 -0.07 -4.80 117.98 107.94 1wb6 s PHE 1009Ca -0.11 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.05 1wb6 s PHE 1009Cb -0.03 0.08 0.03 0.00 0.51 0.00 0.00 43.02 43.61 1wb6 s PHE 1009CO 0.04 -0.23 -0.14 0.08 0.70 0.00 0.00 175.22 175.67 1wb6 s VAL 1010N 1.08 1.66 -0.48 -0.44 1.01 -0.29 -1.06 120.40 121.87 1wb6 s VAL 1010Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1wb6 s VAL 1010Cb -0.09 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.82 1wb6 s VAL 1010CO -0.07 0.38 0.24 0.12 0.00 0.00 0.00 175.10 175.77 1wb6 s PHE 1011N 1.43 3.43 0.37 5.22 2.19 -0.29 -1.24 117.98 129.09 1wb6 s PHE 1011Ca 0.03 -2.94 -0.08 0.00 0.33 0.00 0.00 56.93 54.27 1wb6 s PHE 1011Cb -0.14 -2.98 -0.06 0.00 -1.31 0.00 0.00 43.02 38.53 1wb6 s PHE 1011CO -0.10 -0.84 0.69 0.00 1.83 0.00 0.00 175.22 176.80 1wb6 s ALA 1012N 0.23 3.45 -0.01 11.12 0.00 -0.07 -3.86 121.76 132.62 1wb6 s ALA 1012Ca 0.14 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 1wb6 s ALA 1012Cb -0.23 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.39 1wb6 s ALA 1012CO -0.03 0.06 0.48 0.00 0.00 0.00 0.00 175.76 176.27 1wb6 s ALA 1013N -2.29 -1.24 0.18 0.00 0.00 -0.82 -1.02 121.76 116.56 1wb6 s ALA 1013Ca 0.48 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 1wb6 s ALA 1013Cb -0.10 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1wb6 s ALA 1013CO 0.32 -0.35 0.33 -2.37 0.00 0.00 0.00 175.76 173.68 1wb6 n THR 1014N 0.96 0.00 -4.14 0.00 5.66 -0.45 -0.84 114.28 115.46 1wb6 n THR 1014Ca -0.20 -0.57 -0.27 0.00 -3.05 0.00 0.00 64.05 59.96 1wb6 n THR 1014Cb 0.57 0.48 -0.07 0.00 -1.55 0.00 0.00 70.33 69.77 1wb6 n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wb6 s GLY 1015N -1.98 1.74 0.42 1.09 0.00 -1.26 -0.78 107.32 106.54 1wb6 s GLY 1015Ca 0.09 -1.28 0.29 0.00 0.00 0.00 0.00 44.72 43.83 1wb6 s GLY 1015CO 0.07 -1.29 1.86 1.48 0.00 0.00 0.00 173.10 175.22 1wb6 h SER 1016N 2.61 0.00 -0.49 1.64 4.64 -0.91 -1.97 113.55 119.07 1wb6 h SER 1016Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wb6 h SER 1016Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wb6 h SER 1016CO 0.61 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.95 1wb6 n GLU 1017N -2.71 3.49 -3.51 4.77 -0.58 -0.46 -4.88 120.64 116.76 1wb6 n GLU 1017Ca 0.01 -2.75 -0.37 0.00 -0.42 0.00 0.00 57.16 53.63 1wb6 n GLU 1017Cb 0.28 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 1wb6 n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wb6 s ASP 1018N -1.17 6.30 0.54 1.62 -1.08 -0.74 -4.35 116.67 117.80 1wb6 s ASP 1018Ca 0.44 0.34 0.33 0.00 -0.52 0.00 0.00 52.55 53.14 1wb6 s ASP 1018Cb 0.30 -2.18 1.50 0.00 -1.46 0.00 0.00 42.92 41.08 1wb6 s ASP 1018CO 0.18 -0.01 1.87 0.16 0.52 0.00 0.00 175.17 177.89 1wb6 h ILE 1019N 5.02 0.51 0.00 4.11 3.07 -1.93 -0.18 117.51 128.10 1wb6 h ILE 1019Ca -0.37 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.04 1wb6 h ILE 1019Cb 1.16 0.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1wb6 h ILE 1019CO 0.69 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.78 1wb6 h ALA 1020N 1.51 1.03 -0.90 0.16 0.00 -1.92 -3.04 119.26 116.09 1wb6 h ALA 1020Ca 0.46 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.42 1wb6 h ALA 1020Cb 1.85 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 1wb6 h ALA 1020CO -0.00 0.02 0.59 -0.92 0.00 0.00 0.00 179.25 178.93 1wb6 h TYR 1021N 0.00 1.05 -0.49 0.00 3.20 -1.28 -0.63 116.97 118.82 1wb6 h TYR 1021Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1wb6 h TYR 1021Cb 0.28 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1wb6 h TYR 1021CO 0.00 0.56 0.32 0.00 -1.64 0.00 0.00 178.16 177.39 1wb6 h ALA 1022N 1.51 1.64 0.02 1.82 0.00 -1.73 -0.82 119.26 121.68 1wb6 h ALA 1022Ca 0.39 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 1wb6 h ALA 1022Cb 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1wb6 h ALA 1022CO -0.14 0.33 -1.89 0.09 0.00 0.00 0.00 179.25 177.64 1wb6 n ASN 1023N -4.46 0.91 -0.11 0.00 3.02 -1.01 -4.31 115.26 109.32 1wb6 n ASN 1023Ca 0.04 0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.77 1wb6 n ASN 1023Cb 0.06 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1wb6 n ASN 1023CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1wb6 h MET 1024N 0.01 0.70 -0.31 3.52 2.86 -0.85 -3.30 114.93 117.55 1wb6 h MET 1024Ca -0.36 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1wb6 h MET 1024Cb 2.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.69 1wb6 h MET 1024CO 0.07 0.93 0.21 -0.97 1.06 0.00 0.00 176.91 178.20 1wb6 h ASN 1025N 0.46 0.36 -0.60 1.22 -1.24 -1.34 -0.00 115.58 114.43 1wb6 h ASN 1025Ca 0.07 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.10 1wb6 h ASN 1025Cb 0.74 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 1wb6 h ASN 1025CO 0.05 0.27 0.40 -0.65 -1.29 0.00 0.00 177.43 176.21 1wb6 h PRO 1026N 0.42 0.66 -0.36 6.67 0.11 -1.77 -0.60 132.00 137.14 1wb6 h PRO 1026Ca 0.12 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1wb6 h PRO 1026Cb -0.04 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1wb6 h PRO 1026CO -0.02 0.44 -0.04 0.37 -0.21 0.00 0.00 178.00 178.53 1wb6 h GLN 1027N 0.68 0.66 -0.65 1.05 4.15 -1.37 -1.56 115.11 118.07 1wb6 h GLN 1027Ca 0.25 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1wb6 h GLN 1027Cb 0.12 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1wb6 h GLN 1027CO -0.07 0.80 0.42 0.82 -1.93 0.00 0.00 178.83 178.87 1wb6 h ILE 1028N 0.46 1.18 -0.71 2.39 1.08 -0.54 -0.55 117.51 120.81 1wb6 h ILE 1028Ca 0.10 -0.34 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 1wb6 h ILE 1028Cb 0.53 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1wb6 h ILE 1028CO 0.03 0.17 0.17 -0.33 -0.69 0.00 0.00 178.15 177.50 1wb6 h GLU 1029N 0.88 1.14 -0.67 2.37 4.39 -0.98 -0.13 114.58 121.58 1wb6 h GLU 1029Ca 0.24 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1wb6 h GLU 1029Cb -0.07 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1wb6 h GLU 1029CO -0.05 1.00 0.30 0.00 -1.16 0.00 0.00 179.01 179.10 1wb6 h ALA 1030N 1.10 0.87 -0.86 3.43 0.00 -0.93 -2.77 119.26 120.09 1wb6 h ALA 1030Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wb6 h ALA 1030Cb 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1wb6 h ALA 1030CO 0.00 0.45 0.47 0.52 0.00 0.00 0.00 179.25 180.69 1wb6 h MET 1031N 0.94 1.20 -0.48 0.00 2.86 -0.61 -2.87 114.93 115.97 1wb6 h MET 1031Ca 0.23 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1wb6 h MET 1031Cb 0.16 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1wb6 h MET 1031CO -0.02 0.88 0.32 0.87 1.06 0.00 0.00 176.91 180.02 1wb6 h LYS 1032N 1.21 0.50 0.00 1.72 1.57 -0.76 -1.59 116.57 119.22 1wb6 h LYS 1032Ca 0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1wb6 h LYS 1032Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1wb6 h LYS 1032CO -0.05 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1wb6 n ALA 1033N -2.49 1.84 -1.78 3.86 0.00 -1.08 -4.78 120.51 116.08 1wb6 n ALA 1033Ca 0.05 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1wb6 n ALA 1033Cb 0.16 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1wb6 n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wb6 s LEU 1034N -4.09 4.15 0.36 0.00 1.43 -0.60 -4.92 118.68 115.01 1wb6 s LEU 1034Ca 0.07 2.13 0.27 0.00 -1.03 0.00 0.00 54.13 55.57 1wb6 s LEU 1034Cb 0.11 -4.13 1.19 0.00 0.03 0.00 0.00 46.19 43.38 1wb6 s LEU 1034CO 0.42 -0.56 1.81 1.55 0.23 0.00 0.00 176.35 179.80 1wb6 h PRO 1035N 2.54 0.00 0.00 1.29 0.13 -1.87 -3.04 132.00 131.05 1wb6 h PRO 1035Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wb6 h PRO 1035Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wb6 h PRO 1035CO 0.62 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.84 1wb6 h HIS 1036N 0.00 0.00 -3.55 1.56 3.86 -1.91 -3.43 115.15 111.68 1wb6 h HIS 1036Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1wb6 h HIS 1036Cb 0.31 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.46 1wb6 h HIS 1036CO 0.00 0.00 -0.84 -0.06 0.86 0.00 0.00 177.93 177.89 1wb6 s PHE 1037N -3.39 1.78 -0.32 2.45 0.08 -1.15 -4.84 117.98 112.60 1wb6 s PHE 1037Ca 0.04 -0.64 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 1wb6 s PHE 1037Cb 0.09 -1.24 0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1wb6 s PHE 1037CO 0.44 -0.27 0.07 -0.51 -0.10 0.00 0.00 175.22 174.84 1wb6 s ASP 1038N 0.39 5.14 -0.29 1.36 1.01 -1.26 -4.82 116.67 118.19 1wb6 s ASP 1038Ca -0.12 -1.13 -0.28 0.00 0.71 0.00 0.00 52.55 51.73 1wb6 s ASP 1038Cb -0.15 -1.82 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1wb6 s ASP 1038CO 0.04 -0.29 1.00 -0.47 0.21 0.00 0.00 175.17 175.66 1wb6 s TYR 1039N 1.37 3.21 0.00 4.23 5.04 -1.26 -1.23 117.35 128.70 1wb6 s TYR 1039Ca -0.02 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1wb6 s TYR 1039Cb -0.19 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.64 1wb6 s TYR 1039CO 0.01 -0.65 0.00 -2.37 -1.34 0.00 0.00 175.55 171.21 1wb6 n THR 1040N 5.65 0.00 1.23 4.34 5.66 0.31 -4.95 114.28 126.52 1wb6 n THR 1040Ca 0.10 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.24 1wb6 n THR 1040Cb 0.47 0.00 0.70 0.00 -1.55 0.00 0.00 70.33 69.95 1wb6 n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wb6 n SER 1041N 0.00 0.00 -4.52 1.09 3.41 -0.67 -3.60 113.62 109.33 1wb6 n SER 1041Ca 0.00 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 1wb6 n SER 1041Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1wb6 n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wb6 s ASP 1042N -2.77 6.41 0.00 4.04 -1.08 -1.06 -4.71 116.67 117.50 1wb6 s ASP 1042Ca 0.22 -1.30 0.22 0.00 -0.52 0.00 0.00 52.55 51.17 1wb6 s ASP 1042Cb 0.20 -2.51 1.31 0.00 -1.46 0.00 0.00 42.92 40.46 1wb6 s ASP 1042CO 0.49 -1.48 1.74 0.49 0.52 0.00 0.00 175.17 176.94 1wb6 n PHE 1043N 8.32 0.00 0.81 -5.34 3.72 -1.26 -0.92 117.46 122.79 1wb6 n PHE 1043Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.73 1wb6 n PHE 1043Cb 0.49 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.54 1wb6 n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wb6 n SER 1044N -0.92 0.40 0.00 4.37 3.41 -1.26 -4.22 113.62 115.41 1wb6 n SER 1044Ca 0.17 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1wb6 n SER 1044Cb 0.08 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1wb6 n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wb6 n LYS 1045N -1.88 3.06 -0.13 4.33 5.02 -0.09 -5.12 118.16 123.35 1wb6 n LYS 1045Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1wb6 n LYS 1045Cb 0.38 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1wb6 n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wb6 n GLY 1046N 1.26 2.97 0.26 0.72 0.00 -0.48 -4.99 105.19 104.93 1wb6 n GLY 1046Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1wb6 n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wb6 n ASN 1047N -0.14 0.00 -3.67 1.61 6.94 -0.37 -4.17 115.26 115.46 1wb6 n ASN 1047Ca 0.00 -1.29 -0.09 0.00 -0.02 0.00 0.00 54.58 53.18 1wb6 n ASN 1047Cb 0.00 -0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.27 1wb6 n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1wb6 s PHE 1048N 0.00 -0.79 0.00 -2.53 5.36 -1.10 -1.13 117.98 117.79 1wb6 s PHE 1048Ca 0.00 1.61 -0.16 0.00 -0.96 0.00 0.00 56.93 57.41 1wb6 s PHE 1048Cb 0.00 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.11 1wb6 s PHE 1048CO 0.00 -0.42 0.35 -0.47 -1.46 0.00 0.00 175.22 173.22 1wb6 s TYR 1049N 1.59 -0.21 -0.26 10.12 5.04 -0.37 -0.53 117.35 132.73 1wb6 s TYR 1049Ca -0.09 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.80 1wb6 s TYR 1049Cb -0.08 0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.45 1wb6 s TYR 1049CO -0.15 -0.45 0.05 0.12 -1.34 0.00 0.00 175.55 173.78 1wb6 s PHE 1050N -1.67 1.60 -0.16 4.97 5.36 -1.26 -0.89 117.98 125.93 1wb6 s PHE 1050Ca -0.11 -1.46 -0.21 0.00 -0.96 0.00 0.00 56.93 54.19 1wb6 s PHE 1050Cb -0.03 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 1wb6 s PHE 1050CO 0.03 -0.78 0.62 -1.17 -1.46 0.00 0.00 175.22 172.46 1wb6 s LEU 1051N 1.66 4.19 -0.21 6.12 0.20 -0.19 -4.97 118.68 125.49 1wb6 s LEU 1051Ca 0.04 0.89 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1wb6 s LEU 1051Cb -0.17 -2.89 0.02 0.00 -0.43 0.00 0.00 46.19 42.72 1wb6 s LEU 1051CO -0.17 -0.20 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.85 1wb6 s VAL 1052N 1.53 2.35 -0.32 1.68 1.01 -1.26 -1.34 120.40 124.04 1wb6 s VAL 1052Ca 0.30 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1wb6 s VAL 1052Cb -0.16 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1wb6 s VAL 1052CO 0.12 0.38 0.67 0.00 0.00 0.00 0.00 175.10 176.27 1wb6 s ALA 1053N 1.29 3.51 0.12 5.51 0.00 0.04 -4.75 121.76 127.47 1wb6 s ALA 1053Ca 0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 1wb6 s ALA 1053Cb -0.15 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1wb6 s ALA 1053CO -0.09 -1.18 1.66 -2.14 0.00 0.00 0.00 175.76 174.00 1wb6 s PRO 1054N 2.73 4.19 0.00 0.00 0.02 -1.26 -0.65 135.00 140.03 1wb6 s PRO 1054Ca 0.27 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1wb6 s PRO 1054Cb -0.15 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.96 1wb6 s PRO 1054CO 0.13 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 1wb6 n GLY 1055N 3.96 1.89 3.76 0.52 0.00 -1.26 -4.86 105.19 109.19 1wb6 n GLY 1055Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1wb6 n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb6 s ALA 1056N -2.64 3.36 0.50 4.61 0.00 -1.05 -4.61 121.76 121.93 1wb6 s ALA 1056Ca 0.00 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.57 1wb6 s ALA 1056Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1wb6 s ALA 1056CO 0.00 0.21 0.54 0.95 0.00 0.00 0.00 175.76 177.46 1wb6 s THR 1057N -1.02 2.28 -1.18 0.00 -4.23 -1.26 -1.35 115.64 108.87 1wb6 s THR 1057Ca 0.40 -1.22 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1wb6 s THR 1057Cb -0.25 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1wb6 s THR 1057CO 0.30 0.00 1.64 -2.28 -0.54 0.00 0.00 174.62 173.74 1wb6 s HIS 1058N -2.60 2.64 -0.28 3.99 2.46 -1.26 -4.74 115.29 115.50 1wb6 s HIS 1058Ca 0.50 -1.22 -0.19 0.00 0.47 0.00 0.00 55.06 54.62 1wb6 s HIS 1058Cb -0.05 -4.70 0.08 0.00 -0.13 0.00 0.00 32.58 27.79 1wb6 s HIS 1058CO 0.30 -1.84 0.72 -0.46 -2.47 0.00 0.00 174.74 171.00 1wb6 s TRP 1059N 4.86 -0.95 0.57 3.88 -0.00 -1.26 -5.04 118.94 121.00 1wb6 s TRP 1059Ca 0.52 2.01 0.28 0.00 -0.00 0.00 0.00 56.10 58.91 1wb6 s TRP 1059Cb 0.02 0.52 1.49 0.00 -0.00 0.00 0.00 33.47 35.49 1wb6 s TRP 1059CO 0.01 -0.47 1.97 -1.49 -0.00 0.00 0.00 176.95 176.97 1wb6 h TRP 1060N 6.33 0.00 -0.94 5.86 4.06 -1.91 -1.50 115.95 127.85 1wb6 h TRP 1060Ca -0.30 0.00 0.14 0.00 2.06 0.00 0.00 58.89 60.79 1wb6 h TRP 1060Cb 1.21 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.29 1wb6 h TRP 1060CO 0.16 0.00 0.60 0.78 -3.56 0.00 0.00 178.44 176.41 1wb6 h GLY 1061N 0.00 1.40 0.54 1.49 0.00 -1.94 -1.74 103.07 102.83 1wb6 h GLY 1061Ca 0.22 -0.35 -0.27 0.00 0.00 0.00 0.00 47.33 46.93 1wb6 h GLY 1061CO -0.00 0.11 -1.37 -0.97 0.00 0.00 0.00 176.54 174.31 1wb6 h TYR 1062N 0.82 0.43 -0.04 5.60 0.05 -1.60 -3.41 116.97 118.81 1wb6 h TYR 1062Ca 0.47 -0.31 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1wb6 h TYR 1062Cb 0.63 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1wb6 h TYR 1062CO -0.00 1.54 -0.19 0.28 -1.05 0.00 0.00 178.16 178.73 1wb6 h VAL 1063N -0.33 1.16 -0.60 -2.88 2.07 -1.01 -0.49 116.25 114.17 1wb6 h VAL 1063Ca -0.30 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.55 1wb6 h VAL 1063Cb 1.73 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.82 1wb6 h VAL 1063CO 0.05 0.22 0.40 0.08 0.02 0.00 0.00 177.57 178.34 1wb6 h ARG 1064N 0.06 0.44 0.00 1.57 0.11 -1.55 0.10 114.38 115.12 1wb6 h ARG 1064Ca 0.01 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 1wb6 h ARG 1064Cb 0.38 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1wb6 h ARG 1064CO 0.03 0.29 -0.27 0.45 0.10 0.00 0.00 179.97 180.57 1wb6 h HIS 1065N 0.46 0.00 -0.52 4.08 3.86 -1.33 -2.35 115.15 119.35 1wb6 h HIS 1065Ca 0.27 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1wb6 h HIS 1065Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1wb6 h HIS 1065CO -0.00 0.27 -0.01 1.88 0.86 0.00 0.00 177.93 180.93 1wb6 h TYR 1066N 0.00 0.96 -0.44 2.45 0.05 -0.98 -0.53 116.97 118.48 1wb6 h TYR 1066Ca -0.00 -0.15 -0.09 0.00 0.05 0.00 0.00 58.73 58.54 1wb6 h TYR 1066Cb 0.60 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1wb6 h TYR 1066CO 0.00 0.87 -0.06 0.82 -1.05 0.00 0.00 178.16 178.74 1wb6 h ILE 1067N 0.82 1.27 -0.77 -2.88 2.04 -1.37 0.31 117.51 116.94 1wb6 h ILE 1067Ca 0.15 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 64.96 1wb6 h ILE 1067Cb 0.50 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1wb6 h ILE 1067CO 0.02 0.39 0.42 0.22 0.00 0.00 0.00 178.15 179.20 1wb6 h TYR 1068N 0.64 0.75 -0.07 1.37 3.20 -1.15 0.69 116.97 122.40 1wb6 h TYR 1068Ca 0.12 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.78 1wb6 h TYR 1068Cb 0.58 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.64 1wb6 h TYR 1068CO 0.04 0.30 -0.90 -0.44 -1.64 0.00 0.00 178.16 175.53 1wb6 h ASP 1069N 0.71 0.85 0.15 -2.11 3.32 -0.76 -3.39 116.42 115.19 1wb6 h ASP 1069Ca 0.37 -0.62 -0.36 0.00 0.02 0.00 0.00 57.03 56.44 1wb6 h ASP 1069Cb 0.35 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1wb6 h ASP 1069CO -0.25 1.42 -2.09 0.00 -1.72 0.00 0.00 179.24 176.59 1wb6 n ALA 1070N -2.61 1.18 -0.01 3.45 0.00 0.07 -4.37 120.51 118.22 1wb6 n ALA 1070Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 53.44 52.58 1wb6 n ALA 1070Cb 0.81 -0.54 0.40 0.00 0.00 0.00 0.00 19.45 20.12 1wb6 n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wb6 h LEU 1071N 0.04 0.49 -1.97 0.00 5.85 -1.05 0.00 115.31 118.67 1wb6 h LEU 1071Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1wb6 h LEU 1071Cb 2.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1wb6 h LEU 1071CO 0.04 0.39 0.00 -0.65 -0.34 0.00 0.00 178.44 177.88 1wb6 h PRO 1072N 0.56 0.00 0.00 5.25 0.11 -1.76 -1.84 132.00 134.32 1wb6 h PRO 1072Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1wb6 h PRO 1072Cb -0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wb6 h PRO 1072CO -0.03 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 178.24 1wb6 n TYR 1073N -2.54 0.18 -3.45 0.65 4.02 -0.01 -4.93 117.16 111.07 1wb6 n TYR 1073Ca -0.02 0.05 -0.31 0.00 -0.01 0.00 0.00 57.90 57.61 1wb6 n TYR 1073Cb 0.05 -0.51 -0.05 0.00 -0.02 0.00 0.00 39.34 38.81 1wb6 n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1wb6 s PHE 1074N -3.03 3.44 -0.37 -0.72 0.40 -0.69 -4.58 117.98 112.43 1wb6 s PHE 1074Ca 0.12 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 1wb6 s PHE 1074Cb 0.17 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1wb6 s PHE 1074CO 0.60 0.29 0.00 1.19 0.70 0.00 0.00 175.22 178.00 1wb6 n PHE 1075N -0.20 -0.08 0.25 0.36 3.72 -1.26 -4.92 117.46 115.33 1wb6 n PHE 1075Ca -0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1wb6 n PHE 1075Cb 0.52 -1.26 -0.14 0.00 -0.94 0.00 0.00 39.48 37.66 1wb6 n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wb6 n HIS 1076N -3.37 0.00 -2.80 1.38 8.25 -1.26 -4.58 115.22 112.85 1wb6 n HIS 1076Ca -0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 1wb6 n HIS 1076Cb 0.30 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 1wb6 n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wb6 s GLU 1077N -3.25 4.36 -1.63 -0.41 0.41 -1.26 -2.89 118.70 114.03 1wb6 s GLU 1077Ca -0.03 1.19 -0.03 0.00 -0.41 0.00 0.00 54.97 55.69 1wb6 s GLU 1077Cb 0.13 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1wb6 s GLU 1077CO 0.83 -0.32 0.41 1.28 -0.49 0.00 0.00 175.26 176.98 1wb6 n LEU 1078N 5.11 -2.46 -4.85 1.80 4.77 -1.26 -4.97 117.00 115.14 1wb6 n LEU 1078Ca 0.06 -0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.53 1wb6 n LEU 1078Cb 0.49 -2.97 0.02 0.00 -2.33 0.00 0.00 43.42 38.63 1wb6 n LEU 1078CO 0.50 0.09 0.71 -1.83 -1.33 0.00 0.00 177.39 175.53 1wb6 s GLU 1079N -5.48 3.46 0.02 3.23 -1.05 -1.14 -4.98 118.70 112.75 1wb6 s GLU 1079Ca 0.20 0.85 0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1wb6 s GLU 1079Cb -0.09 -2.06 0.12 0.00 -0.44 0.00 0.00 34.13 31.66 1wb6 s GLU 1079CO 0.25 -0.68 1.11 0.72 0.95 0.00 0.00 175.26 177.62 1wb6 n HIS 1080N -2.68 0.13 -2.66 4.83 8.25 -1.26 -4.85 115.22 116.97 1wb6 n HIS 1080Ca 0.07 0.04 -0.28 0.00 -0.26 0.00 0.00 57.72 57.28 1wb6 n HIS 1080Cb 0.54 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1wb6 n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wb6 s HIS 1081N -3.09 3.54 -0.80 4.41 3.76 -1.26 -5.02 115.29 116.83 1wb6 s HIS 1081Ca 0.07 0.89 -0.18 0.00 -0.15 0.00 0.00 55.06 55.68 1wb6 s HIS 1081Cb 0.16 -2.35 0.14 0.00 1.11 0.00 0.00 32.58 31.63 1wb6 s HIS 1081CO 0.79 -0.25 0.94 -1.58 -0.85 0.00 0.00 174.74 173.78 1wb6 s HIS 1082N -2.67 3.18 0.14 1.40 2.46 -1.26 -5.01 115.29 113.52 1wb6 s HIS 1082Ca 0.49 -1.33 0.09 0.00 0.47 0.00 0.00 55.06 54.78 1wb6 s HIS 1082Cb -0.10 -4.12 -0.04 0.00 -0.13 0.00 0.00 32.58 28.18 1wb6 s HIS 1082CO 0.42 -1.36 -0.22 -1.01 -2.47 0.00 0.00 174.74 170.10 1wb6 s HIS 1083N 2.30 1.98 -0.27 3.88 4.02 -1.26 -5.12 115.29 120.81 1wb6 s HIS 1083Ca 0.23 -0.41 -0.01 0.00 1.02 0.00 0.00 55.06 55.89 1wb6 s HIS 1083Cb -0.12 -1.04 0.04 0.00 -1.02 0.00 0.00 32.58 30.44 1wb6 s HIS 1083CO -0.04 0.30 -0.04 -1.01 1.02 0.00 0.00 174.74 174.97 1wb6 s HIS 1084N -1.42 3.19 -0.74 1.40 3.76 -1.26 -5.16 115.29 115.06 1wb6 s HIS 1084Ca 0.12 -1.84 0.06 0.00 -0.15 0.00 0.00 55.06 53.25 1wb6 s HIS 1084Cb -0.09 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.59 1wb6 s HIS 1084CO 0.06 -0.79 0.69 0.72 -0.85 0.00 0.00 174.74 174.56