#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 3.04 -0.04 0.66 5.36 -1.26 -5.02 117.98 120.72 1wb6 s PHE 804 Ca 0.00 0.95 0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1wb6 s PHE 804 Cb 0.00 -3.83 0.01 0.00 -0.34 0.00 0.00 43.02 38.86 1wb6 s PHE 804 CO 0.00 -2.78 -0.11 0.15 -1.46 0.00 0.00 175.22 171.02 1wb6 s LYS 805 N -0.02 1.30 0.35 10.12 -0.14 -1.26 -4.42 119.74 125.67 1wb6 s LYS 805 Ca 0.62 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.58 1wb6 s LYS 805 Cb -0.42 -1.15 -0.11 0.00 -1.68 0.00 0.00 37.83 34.47 1wb6 s LYS 805 CO 0.40 0.08 1.52 0.71 -0.76 0.00 0.00 175.35 177.30 1wb6 s TYR 806 N 0.40 2.66 0.17 3.18 2.02 0.06 -5.04 117.35 120.80 1wb6 s TYR 806 Ca -0.08 1.04 0.05 0.00 -0.37 0.00 0.00 57.07 57.72 1wb6 s TYR 806 Cb -0.12 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.38 1wb6 s TYR 806 CO 0.02 -3.16 0.15 -1.21 -1.57 0.00 0.00 175.55 169.78 1wb6 s GLU 807 N -1.53 2.94 0.29 -0.62 2.02 -1.26 -4.97 118.70 115.57 1wb6 s GLU 807 Ca 0.56 -0.86 0.22 0.00 0.02 0.00 0.00 54.97 54.91 1wb6 s GLU 807 Cb -0.47 -2.66 0.13 0.00 0.10 0.00 0.00 34.13 31.23 1wb6 s GLU 807 CO 0.57 0.48 1.28 0.66 0.02 0.00 0.00 175.26 178.27 1wb6 h SER 808 N 2.33 0.00 -1.69 -0.19 4.64 -1.96 -2.70 113.55 113.98 1wb6 h SER 808 Ca -0.48 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.35 1wb6 h SER 808 Cb 1.20 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.94 1wb6 h SER 808 CO 0.63 0.06 -1.03 0.00 -0.87 0.00 0.00 176.83 175.62 1wb6 n ALA 809 N -2.16 1.77 -1.77 5.18 0.00 -1.26 -1.70 120.51 120.57 1wb6 n ALA 809 Ca 0.01 -3.09 -0.41 0.00 0.00 0.00 0.00 53.44 49.95 1wb6 n ALA 809 Cb 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.19 2.05 -4.03 0.00 3.14 -1.26 -4.99 118.33 114.42 1wb6 n VAL 810 Ca 0.20 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.82 1wb6 n VAL 810 Cb 0.57 -1.94 -0.05 0.00 -1.06 0.00 0.00 33.84 31.37 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 -2.11 3.09 0.24 1.45 -1.52 -1.26 -4.95 119.66 114.61 1wb6 s GLN 811 Ca 0.54 -0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 52.86 1wb6 s GLN 811 Cb -0.48 -2.76 -0.11 0.00 -0.22 0.00 0.00 33.01 29.44 1wb6 s GLN 811 CO 0.63 0.49 1.62 -0.47 -0.25 0.00 0.00 175.29 177.32 1wb6 s TYR 812 N -1.76 2.87 -0.18 0.91 5.04 -1.26 -5.00 117.35 117.96 1wb6 s TYR 812 Ca 0.32 0.63 -0.05 0.00 -2.44 0.00 0.00 57.07 55.54 1wb6 s TYR 812 Cb -0.10 -4.05 0.09 0.00 0.35 0.00 0.00 41.96 38.24 1wb6 s TYR 812 CO 0.25 -3.74 0.32 0.50 -1.34 0.00 0.00 175.55 171.54 1wb6 s ARG 813 N 0.28 0.24 0.66 4.97 3.52 -1.26 -5.03 118.95 122.33 1wb6 s ARG 813 Ca 0.68 0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 56.79 1wb6 s ARG 813 Cb -0.47 -0.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1wb6 s ARG 813 CO 0.40 -0.42 1.19 -1.25 -0.81 0.00 0.00 175.30 174.42 1wb6 s PRO 814 N 2.48 2.60 0.61 5.12 0.04 -1.26 -4.72 135.00 139.86 1wb6 s PRO 814 Ca 0.04 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 1wb6 s PRO 814 Cb -0.13 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wb6 s PRO 814 CO -0.12 -1.48 1.31 0.00 0.04 0.00 0.00 177.00 176.76 1wb6 n ALA 815 N -2.19 1.28 -1.51 8.56 0.00 -1.26 -4.95 120.51 120.43 1wb6 n ALA 815 Ca 0.13 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1wb6 n ALA 815 Cb 0.50 -2.33 0.06 0.00 0.00 0.00 0.00 19.45 17.68 1wb6 n ALA 815 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wb6 n PRO 816 N -1.57 0.68 -0.11 0.00 -0.02 -1.26 -4.85 135.00 127.87 1wb6 n PRO 816 Ca 0.14 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1wb6 n PRO 816 Cb 0.47 -2.05 0.52 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.20 0.35 0.29 2.55 3.32 -2.03 0.05 116.42 121.15 1wb6 h ASP 817 Ca -0.48 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1wb6 h ASP 817 Cb 1.37 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1wb6 h ASP 817 CO 0.48 0.20 -0.05 0.77 -1.72 0.00 0.00 179.24 178.92 1wb6 h SER 818 N 0.38 0.00 0.71 6.45 4.64 -1.97 -1.55 113.55 122.21 1wb6 h SER 818 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1wb6 h SER 818 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1wb6 h SER 818 CO -0.09 0.05 0.00 -1.22 -0.87 0.00 0.00 176.83 174.70 1wb6 n TYR 819 N -3.44 0.42 1.21 4.77 4.02 0.00 -2.57 117.16 121.57 1wb6 n TYR 819 Ca -0.02 0.16 0.13 0.00 -0.01 0.00 0.00 57.90 58.16 1wb6 n TYR 819 Cb 0.17 -0.75 0.40 0.00 -0.02 0.00 0.00 39.34 39.14 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 -1.87 0.77 -4.95 7.72 4.77 -0.58 -2.74 117.00 120.11 1wb6 n LEU 820 Ca 0.03 -0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 1wb6 n LEU 820 Cb 0.23 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1wb6 n LEU 820 CO 0.18 0.15 -0.08 0.20 -1.33 0.00 0.00 177.39 176.52 1wb6 s ASN 821 N -2.63 6.25 0.39 -1.43 0.01 -1.06 -4.92 114.94 111.56 1wb6 s ASN 821 Ca 0.22 0.08 -0.27 0.00 -0.71 0.00 0.00 52.86 52.19 1wb6 s ASN 821 Cb 0.19 -1.84 -0.11 0.00 0.41 0.00 0.00 41.25 39.90 1wb6 s ASN 821 CO 0.55 -0.01 1.33 -2.65 -1.51 0.00 0.00 177.10 174.81 1wb6 n PRO 822 N -1.01 2.15 -3.88 -0.60 -0.02 -1.26 -4.85 135.00 125.53 1wb6 n PRO 822 Ca -0.08 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 1wb6 n PRO 822 Cb 0.56 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.18 0.00 -3.09 0.00 0.13 -1.98 -3.23 132.00 129.02 1wb6 h PRO 824 Ca -0.53 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.83 1wb6 h PRO 824 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1wb6 h PRO 824 CO 0.60 0.10 1.84 1.04 -0.23 0.00 0.00 178.00 181.35 1wb6 n GLN 825 N -3.86 4.14 -3.05 0.86 6.02 -1.26 -4.98 117.38 115.25 1wb6 n GLN 825 Ca -0.02 -3.77 -0.40 0.00 -0.01 0.00 0.00 57.00 52.80 1wb6 n GLN 825 Cb 0.20 -2.75 -0.05 0.00 1.02 0.00 0.00 30.24 28.66 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 -0.89 3.45 0.58 -1.58 0.00 -1.22 -4.63 121.76 117.48 1wb6 s ALA 826 Ca 0.41 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1wb6 s ALA 826 Cb 0.12 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1wb6 s ALA 826 CO -0.01 -0.37 1.26 0.20 0.00 0.00 0.00 175.76 176.84 1wb6 s GLY 827 N 1.00 2.81 0.13 0.00 0.00 -1.26 -4.55 107.32 105.44 1wb6 s GLY 827 Ca 0.34 1.13 -0.30 0.00 0.00 0.00 0.00 44.72 45.89 1wb6 s GLY 827 CO 0.14 1.56 0.97 -1.60 0.00 0.00 0.00 173.10 174.17 1wb6 s ARG 828 N -3.18 4.71 -0.23 2.90 3.52 -0.91 -4.82 118.95 120.94 1wb6 s ARG 828 Ca 0.76 1.47 -0.05 0.00 -0.13 0.00 0.00 55.73 57.79 1wb6 s ARG 828 Cb -0.34 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 1wb6 s ARG 828 CO 0.38 0.23 -0.01 0.42 -0.81 0.00 0.00 175.30 175.51 1wb6 s ILE 829 N -0.13 3.63 -0.21 4.11 1.01 -1.26 -0.55 121.20 127.81 1wb6 s ILE 829 Ca 0.47 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1wb6 s ILE 829 Cb -0.24 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1wb6 s ILE 829 CO 0.30 0.40 -0.04 -0.69 0.00 0.00 0.00 174.94 174.92 1wb6 s VAL 830 N 1.47 3.51 -0.16 2.92 1.01 0.34 -4.93 120.40 124.56 1wb6 s VAL 830 Ca 0.05 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1wb6 s VAL 830 Cb -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1wb6 s VAL 830 CO -0.01 0.43 0.88 -0.75 0.00 0.00 0.00 175.10 175.65 1wb6 s LYS 831 N 1.23 4.32 0.16 2.72 2.47 -1.26 -0.72 119.74 128.65 1wb6 s LYS 831 Ca 0.03 1.11 0.10 0.00 -1.56 0.00 0.00 55.97 55.65 1wb6 s LYS 831 Cb -0.14 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 1wb6 s LYS 831 CO -0.01 -0.35 -0.21 -1.21 0.16 0.00 0.00 175.35 173.73 1wb6 s GLU 832 N 2.20 1.63 -0.04 4.03 0.41 0.05 -5.00 118.70 121.98 1wb6 s GLU 832 Ca 0.40 -1.37 0.02 0.00 -0.41 0.00 0.00 54.97 53.61 1wb6 s GLU 832 Cb -0.17 -1.96 0.01 0.00 -1.78 0.00 0.00 34.13 30.23 1wb6 s GLU 832 CO 0.13 0.43 -0.09 0.99 -0.49 0.00 0.00 175.26 176.23 1wb6 s THR 833 N -1.42 0.82 0.14 3.63 2.01 -1.26 -1.57 115.64 117.99 1wb6 s THR 833 Ca 0.19 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1wb6 s THR 833 Cb -0.09 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1wb6 s THR 833 CO 0.10 0.27 0.11 -0.72 -0.69 0.00 0.00 174.62 173.69 1wb6 s TYR 834 N 0.52 0.78 -0.09 4.92 1.13 -0.08 -4.99 117.35 119.55 1wb6 s TYR 834 Ca -0.09 -1.15 0.04 0.00 -1.41 0.00 0.00 57.07 54.47 1wb6 s TYR 834 Cb -0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 1wb6 s TYR 834 CO 0.01 -0.57 -0.21 0.95 -2.51 0.00 0.00 175.55 173.23 1wb6 s THR 835 N -4.04 1.82 0.00 -3.49 -4.23 -1.26 -0.82 115.64 103.63 1wb6 s THR 835 Ca 0.23 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1wb6 s THR 835 Cb 0.07 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1wb6 s THR 835 CO 0.02 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1wb6 n GLY 836 N 3.51 5.15 0.16 3.99 0.00 -0.78 -4.96 105.19 112.25 1wb6 n GLY 836 Ca -0.20 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.38 -0.61 3.07 -1.96 -1.22 117.51 116.41 1wb6 h ILE 837 Ca 0.00 -0.26 -0.09 0.00 1.55 0.00 0.00 64.86 66.06 1wb6 h ILE 837 Cb 0.00 1.03 -0.05 0.00 -0.27 0.00 0.00 36.82 37.52 1wb6 h ILE 837 CO 0.00 0.00 0.03 0.59 -1.05 0.00 0.00 178.15 177.72 1wb6 n ASN 838 N -2.39 3.67 0.00 2.16 3.02 -1.26 -4.82 115.26 115.64 1wb6 n ASN 838 Ca 0.02 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1wb6 n ASN 838 Cb 0.23 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.63 -1.74 3.68 7.41 0.00 -0.46 -3.35 105.19 110.11 1wb6 n GLY 839 Ca 0.28 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 4.88 0.21 2.61 2.01 -1.26 -1.87 115.64 122.21 1wb6 s THR 840 Ca 0.00 1.73 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 1wb6 s THR 840 Cb 0.00 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1wb6 s THR 840 CO 0.00 0.06 0.19 -0.54 -0.69 0.00 0.00 174.62 173.65 1wb6 s LYS 841 N 1.85 1.26 0.23 4.92 1.02 0.00 -4.98 119.74 124.04 1wb6 s LYS 841 Ca 0.41 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 54.91 1wb6 s LYS 841 Cb -0.17 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1wb6 s LYS 841 CO 0.15 -0.43 -0.08 -1.12 -0.92 0.00 0.00 175.35 172.95 1wb6 s SER 842 N -3.13 2.43 0.22 2.83 0.01 -1.26 -0.90 113.70 113.90 1wb6 s SER 842 Ca 0.35 -1.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1wb6 s SER 842 Cb 0.06 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 1wb6 s SER 842 CO 0.11 -0.31 0.44 -1.48 0.41 0.00 0.00 173.24 172.42 1wb6 s LEU 843 N -3.34 0.41 0.01 2.44 0.05 -0.61 -4.30 118.68 113.34 1wb6 s LEU 843 Ca 0.25 -0.86 0.05 0.00 0.05 0.00 0.00 54.13 53.63 1wb6 s LEU 843 Cb 0.02 1.70 -0.03 0.00 -2.05 0.00 0.00 46.19 45.83 1wb6 s LEU 843 CO 0.08 -1.08 -0.13 0.20 -0.55 0.00 0.00 176.35 174.87 1wb6 s ASN 844 N -2.99 4.12 -0.20 1.48 0.01 -0.83 -0.77 114.94 115.77 1wb6 s ASN 844 Ca 0.20 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1wb6 s ASN 844 Cb 0.00 -0.81 0.02 0.00 0.41 0.00 0.00 41.25 40.86 1wb6 s ASN 844 CO 0.06 0.28 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.09 1wb6 s VAL 845 N -0.92 2.44 -0.21 1.60 1.01 0.10 -0.87 120.40 123.55 1wb6 s VAL 845 Ca 0.15 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1wb6 s VAL 845 Cb -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1wb6 s VAL 845 CO 0.05 0.47 0.67 -0.47 0.00 0.00 0.00 175.10 175.82 1wb6 s TYR 846 N 1.33 3.35 -0.12 5.22 6.14 0.69 -0.50 117.35 133.46 1wb6 s TYR 846 Ca 0.04 0.96 -0.04 0.00 0.64 0.00 0.00 57.07 58.67 1wb6 s TYR 846 Cb -0.14 -2.86 -0.03 0.00 0.42 0.00 0.00 41.96 39.35 1wb6 s TYR 846 CO -0.10 -0.24 0.02 -0.51 0.64 0.00 0.00 175.55 175.37 1wb6 s LEU 847 N 2.17 3.67 0.68 6.97 1.43 0.28 -1.72 118.68 132.16 1wb6 s LEU 847 Ca 0.30 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1wb6 s LEU 847 Cb -0.16 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1wb6 s LEU 847 CO 0.10 0.30 1.15 -2.16 0.23 0.00 0.00 176.35 175.96 1wb6 s PRO 848 N -0.38 2.58 0.23 1.29 0.04 -1.25 -2.15 135.00 135.36 1wb6 s PRO 848 Ca 0.08 1.54 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 1wb6 s PRO 848 Cb -0.12 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1wb6 s PRO 848 CO 0.02 -1.45 1.61 0.98 0.04 0.00 0.00 177.00 178.20 1wb6 n TYR 849 N -2.48 2.60 -0.87 0.56 9.36 -1.26 -1.20 117.16 123.88 1wb6 n TYR 849 Ca 0.12 0.21 0.00 0.00 3.32 0.00 0.00 57.90 61.55 1wb6 n TYR 849 Cb 0.51 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 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 3.01 0.60 3.58 2.98 0.00 -1.26 -4.98 105.19 109.13 1wb6 n GLY 850 Ca 0.13 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.78 1.24 -3.89 1.61 9.36 -0.34 -4.94 117.16 117.42 1wb6 n TYR 851 Ca 0.00 0.86 -0.29 0.00 3.32 0.00 0.00 57.90 61.79 1wb6 n TYR 851 Cb 0.00 -2.23 -0.16 0.00 -0.63 0.00 0.00 39.34 36.32 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 0.91 3.52 0.00 2.98 -1.08 -1.26 -5.01 116.67 116.72 1wb6 s ASP 852 Ca 0.91 -1.04 0.07 0.00 -0.52 0.00 0.00 52.55 51.98 1wb6 s ASP 852 Cb -1.16 -1.01 0.33 0.00 -1.46 0.00 0.00 42.92 39.62 1wb6 s ASP 852 CO 0.57 -0.25 1.19 -0.81 0.52 0.00 0.00 175.17 176.39 1wb6 n PRO 853 N 4.78 0.03 -0.10 4.34 -0.04 -1.26 -0.92 135.00 141.84 1wb6 n PRO 853 Ca -0.11 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1wb6 n PRO 853 Cb 0.45 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.75 1wb6 n PRO 853 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wb6 n ASN 854 N -1.43 2.06 -4.84 3.54 2.85 -1.26 -4.76 115.26 111.42 1wb6 n ASN 854 Ca 0.02 -1.77 -0.21 0.00 -0.11 0.00 0.00 54.58 52.51 1wb6 n ASN 854 Cb 0.08 -0.13 -0.04 0.00 1.24 0.00 0.00 39.78 40.93 1wb6 n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1wb6 s LYS 855 N -1.74 2.66 -0.12 1.20 1.02 -0.10 -5.13 119.74 117.53 1wb6 s LYS 855 Ca 0.33 -1.35 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 1wb6 s LYS 855 Cb 0.19 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 1wb6 s LYS 855 CO 0.27 0.06 -0.09 0.15 -0.92 0.00 0.00 175.35 174.83 1wb6 s LYS 856 N -3.99 3.33 -0.01 1.68 1.02 -1.26 -4.74 119.74 115.76 1wb6 s LYS 856 Ca 0.41 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.87 1wb6 s LYS 856 Cb -0.05 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1wb6 s LYS 856 CO 0.26 0.33 -0.21 0.71 -0.92 0.00 0.00 175.35 175.53 1wb6 s TYR 857 N 0.08 2.50 0.75 3.18 1.51 -0.59 -4.89 117.35 119.89 1wb6 s TYR 857 Ca -0.03 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1wb6 s TYR 857 Cb -0.14 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1wb6 s TYR 857 CO 0.04 0.10 0.72 0.09 -1.11 0.00 0.00 175.55 175.39 1wb6 n ASN 858 N 2.19 -0.53 -3.90 2.29 5.03 -1.26 -3.72 115.26 115.35 1wb6 n ASN 858 Ca -0.17 0.59 -0.17 0.00 0.87 0.00 0.00 54.58 55.71 1wb6 n ASN 858 Cb 0.52 -1.30 -0.15 0.00 -1.02 0.00 0.00 39.78 37.82 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 -1.94 0.36 -0.13 2.41 2.07 -0.81 -1.32 121.20 121.83 1wb6 s ILE 859 Ca 0.68 -0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1wb6 s ILE 859 Cb -0.33 -0.36 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1wb6 s ILE 859 CO 0.56 0.14 -0.09 0.12 -1.91 0.00 0.00 174.94 173.76 1wb6 s PHE 860 N 0.38 1.68 -0.12 3.50 5.36 -0.30 -1.06 117.98 127.43 1wb6 s PHE 860 Ca -0.04 -0.92 -0.13 0.00 -0.96 0.00 0.00 56.93 54.89 1wb6 s PHE 860 Cb -0.08 -1.33 -0.05 0.00 -0.34 0.00 0.00 43.02 41.23 1wb6 s PHE 860 CO -0.00 -0.57 0.29 0.71 -1.46 0.00 0.00 175.22 174.18 1wb6 s TYR 861 N 1.64 3.54 -0.09 10.12 1.51 -0.35 -1.02 117.35 132.71 1wb6 s TYR 861 Ca 0.04 0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1wb6 s TYR 861 Cb -0.13 -2.25 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1wb6 s TYR 861 CO -0.09 0.42 0.02 -1.17 -1.11 0.00 0.00 175.55 173.62 1wb6 s LEU 862 N -0.15 0.59 -0.15 -1.29 2.96 0.19 -0.70 118.68 120.14 1wb6 s LEU 862 Ca 0.18 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1wb6 s LEU 862 Cb -0.14 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 1wb6 s LEU 862 CO 0.06 -0.23 0.13 -0.32 -1.32 0.00 0.00 176.35 174.67 1wb6 s MET 863 N 2.00 3.72 1.21 1.98 -2.45 0.12 -4.00 119.30 121.87 1wb6 s MET 863 Ca 0.04 -0.18 -0.18 0.00 -1.25 0.00 0.00 55.69 54.12 1wb6 s MET 863 Cb -0.13 -3.27 0.29 0.00 1.25 0.00 0.00 34.83 32.97 1wb6 s MET 863 CO -0.06 0.59 1.07 -3.38 1.05 0.00 0.00 175.02 174.29 1wb6 s HIS 864 N -0.47 0.64 0.23 4.11 -3.43 -1.26 -1.50 115.29 113.60 1wb6 s HIS 864 Ca 0.12 0.65 0.03 0.00 -0.80 0.00 0.00 55.06 55.07 1wb6 s HIS 864 Cb -0.12 -3.29 0.03 0.00 -1.43 0.00 0.00 32.58 27.78 1wb6 s HIS 864 CO 0.02 -3.93 0.28 0.41 -2.00 0.00 0.00 174.74 169.52 1wb6 n GLY 865 N -0.39 2.15 3.77 -1.38 0.00 -1.21 -2.42 105.19 105.71 1wb6 n GLY 865 Ca 0.11 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1wb6 n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wb6 s GLY 866 N -2.94 2.92 0.00 -0.02 0.00 -1.26 -2.31 107.32 103.70 1wb6 s GLY 866 Ca 0.21 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.40 1wb6 s GLY 866 CO 0.14 2.16 0.00 0.61 0.00 0.00 0.00 173.10 176.00 1wb6 n GLY 867 N 0.67 0.97 2.76 0.20 0.00 -1.26 -5.00 105.19 103.53 1wb6 n GLY 867 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.02 0.88 -2.92 1.61 1.02 -0.98 -5.15 120.64 113.08 1wb6 n GLU 868 Ca 0.00 -2.45 -0.08 0.00 -0.02 0.00 0.00 57.16 54.60 1wb6 n GLU 868 Cb 0.00 0.21 -0.02 0.00 -0.02 0.00 0.00 31.44 31.61 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 -1.96 -0.77 0.19 1.62 0.23 -1.26 -4.93 115.26 108.38 1wb6 n ASN 869 Ca 0.00 -2.07 0.13 0.00 -0.53 0.00 0.00 54.58 52.12 1wb6 n ASN 869 Cb 0.45 1.44 0.68 0.00 -2.08 0.00 0.00 39.78 40.27 1wb6 n ASN 869 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1wb6 h GLU 870 N 0.00 0.00 0.00 -3.83 9.09 -1.84 -1.92 114.58 116.08 1wb6 h GLU 870 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1wb6 h GLU 870 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 1wb6 h GLU 870 CO 0.21 0.00 -0.85 0.09 0.05 0.00 0.00 179.01 178.51 1wb6 n ASN 871 N -2.43 0.72 -0.05 3.06 3.02 -1.26 -4.36 115.26 113.96 1wb6 n ASN 871 Ca -0.01 -0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 53.89 1wb6 n ASN 871 Cb 0.09 0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 39.94 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 1.09 -0.03 3.41 2.02 -1.74 -2.29 112.91 115.37 1wb6 h THR 872 Ca 0.00 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1wb6 h THR 872 Cb 0.56 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1wb6 h THR 872 CO 0.00 0.09 -0.25 0.40 0.37 0.00 0.00 175.52 176.12 1wb6 h ILE 873 N 0.25 1.20 -0.72 3.11 2.04 -1.82 -1.60 117.51 119.97 1wb6 h ILE 873 Ca 0.07 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1wb6 h ILE 873 Cb 0.04 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1wb6 h ILE 873 CO -0.01 0.27 0.00 0.49 0.00 0.00 0.00 178.15 178.90 1wb6 n PHE 874 N -4.22 1.04 -2.01 1.37 3.72 -1.18 -2.40 117.46 113.79 1wb6 n PHE 874 Ca -0.02 -0.50 -0.28 0.00 -0.05 0.00 0.00 57.45 56.60 1wb6 n PHE 874 Cb 0.32 -0.03 0.12 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.99 4.13 0.30 4.37 1.04 -0.60 -4.67 113.70 117.28 1wb6 s SER 875 Ca 0.49 0.49 0.22 0.00 0.48 0.00 0.00 55.95 57.64 1wb6 s SER 875 Cb 0.26 -0.87 1.09 0.00 0.10 0.00 0.00 66.02 66.60 1wb6 s SER 875 CO 0.32 -2.10 1.68 0.59 0.98 0.00 0.00 173.24 174.72 1wb6 n ASN 876 N -3.35 0.61 0.06 7.02 3.02 -1.26 -0.94 115.26 120.42 1wb6 n ASN 876 Ca 0.11 0.72 0.13 0.00 -0.03 0.00 0.00 54.58 55.51 1wb6 n ASN 876 Cb 0.60 -0.83 0.49 0.00 -0.61 0.00 0.00 39.78 39.44 1wb6 n ASN 876 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wb6 n ASP 877 N -2.26 0.44 0.03 6.41 8.00 -1.26 -4.53 116.55 123.38 1wb6 n ASP 877 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1wb6 n ASP 877 Cb 0.12 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.92 0.09 -2.61 2.53 0.31 -0.75 -4.72 118.33 111.26 1wb6 n VAL 878 Ca 0.06 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 1wb6 n VAL 878 Cb 0.37 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.64 0.15 5.55 5.02 -0.11 -4.89 118.16 118.37 1wb6 n LYS 879 Ca 0.00 0.64 0.05 0.00 -2.02 0.00 0.00 58.31 56.98 1wb6 n LYS 879 Cb 0.13 -4.90 0.52 0.00 -0.02 0.00 0.00 35.03 30.76 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 -0.65 0.20 -1.92 -0.35 5.85 -1.75 -1.53 115.31 115.15 1wb6 h LEU 880 Ca -0.35 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1wb6 h LEU 880 Cb 1.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1wb6 h LEU 880 CO 0.39 0.19 0.12 0.06 -0.34 0.00 0.00 178.44 178.86 1wb6 h GLN 881 N 0.23 0.10 -0.32 1.25 -0.00 -1.90 -0.50 115.11 113.97 1wb6 h GLN 881 Ca 0.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 1wb6 h GLN 881 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 1wb6 h GLN 881 CO -0.01 0.07 -0.09 -0.91 -0.00 0.00 0.00 178.83 177.89 1wb6 h ASN 882 N 0.11 0.63 -0.16 0.06 2.35 -1.53 0.74 115.58 117.77 1wb6 h ASN 882 Ca 0.07 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1wb6 h ASN 882 Cb 0.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1wb6 h ASN 882 CO -0.01 0.86 0.09 0.40 -1.65 0.00 0.00 177.43 177.12 1wb6 h ILE 883 N 0.39 1.09 -0.28 2.81 2.04 -1.17 -1.46 117.51 120.94 1wb6 h ILE 883 Ca 0.08 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1wb6 h ILE 883 Cb 0.59 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1wb6 h ILE 883 CO 0.03 0.09 0.09 -0.07 0.00 0.00 0.00 178.15 178.29 1wb6 h LEU 884 N 0.17 0.08 -0.04 1.44 3.38 -1.02 -0.31 115.31 119.00 1wb6 h LEU 884 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1wb6 h LEU 884 Cb 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wb6 h LEU 884 CO -0.01 0.08 -0.07 0.44 0.09 0.00 0.00 178.44 178.97 1wb6 h ASP 885 N 0.21 -0.21 -0.48 -0.43 3.32 -0.70 -0.62 116.42 117.50 1wb6 h ASP 885 Ca 0.13 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1wb6 h ASP 885 Cb 0.10 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1wb6 h ASP 885 CO -0.14 -0.10 -0.09 0.45 -1.72 0.00 0.00 179.24 177.64 1wb6 h HIS 886 N -0.10 1.06 -0.60 4.55 3.86 -1.14 -1.09 115.15 121.68 1wb6 h HIS 886 Ca 0.04 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 1wb6 h HIS 886 Cb 0.16 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1wb6 h HIS 886 CO -0.16 0.99 0.06 0.00 0.86 0.00 0.00 177.93 179.67 1wb6 h ALA 887 N 1.03 0.80 -0.33 2.45 0.00 -0.82 -1.24 119.26 121.15 1wb6 h ALA 887 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1wb6 h ALA 887 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wb6 h ALA 887 CO 0.04 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.67 1wb6 h ILE 888 N 0.92 1.27 -0.77 0.00 2.04 -1.02 -1.27 117.51 118.69 1wb6 h ILE 888 Ca 0.18 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1wb6 h ILE 888 Cb 0.48 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1wb6 h ILE 888 CO 0.02 0.34 0.42 -0.03 0.00 0.00 0.00 178.15 178.90 1wb6 h MET 889 N 0.40 1.06 -0.00 2.37 4.05 -1.07 -2.31 114.93 119.43 1wb6 h MET 889 Ca 0.09 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1wb6 h MET 889 Cb 0.50 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1wb6 h MET 889 CO 0.02 0.78 -0.09 0.09 0.23 0.00 0.00 176.91 177.94 1wb6 n ASN 890 N -4.36 0.46 0.00 1.39 3.02 -0.48 -4.92 115.26 110.38 1wb6 n ASN 890 Ca 0.08 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1wb6 n ASN 890 Cb 0.10 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1wb6 n ASN 890 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb6 n GLY 891 N 1.26 0.69 0.13 7.41 0.00 -0.87 -4.92 105.19 108.88 1wb6 n GLY 891 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 2.24 0.10 -4.30 1.61 5.08 -1.50 -3.42 114.58 114.39 1wb6 h GLU 892 Ca 0.00 -0.09 -0.49 0.00 -1.00 0.00 0.00 59.36 57.78 1wb6 h GLU 892 Cb 0.00 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 28.93 1wb6 h GLU 892 CO 0.00 0.80 -0.80 -1.17 -1.00 0.00 0.00 179.01 176.84 1wb6 s LEU 893 N -7.47 1.41 0.41 1.33 2.96 -1.06 -4.75 118.68 111.51 1wb6 s LEU 893 Ca -0.02 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.40 1wb6 s LEU 893 Cb 0.11 -0.71 -0.08 0.00 0.50 0.00 0.00 46.19 46.01 1wb6 s LEU 893 CO 0.80 -0.03 1.22 -1.61 -1.32 0.00 0.00 176.35 175.40 1wb6 s GLU 894 N 1.02 3.96 0.34 1.98 2.02 -1.26 -4.05 118.70 122.71 1wb6 s GLU 894 Ca -0.08 1.96 -0.28 0.00 0.02 0.00 0.00 54.97 56.58 1wb6 s GLU 894 Cb -0.15 -2.67 -0.12 0.00 0.10 0.00 0.00 34.13 31.30 1wb6 s GLU 894 CO -0.00 -0.43 1.38 -0.35 0.02 0.00 0.00 175.26 175.87 1wb6 n PRO 895 N 0.00 2.33 -3.77 0.39 -0.04 -1.26 -4.97 135.00 127.68 1wb6 n PRO 895 Ca 0.05 0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 64.23 1wb6 n PRO 895 Cb 0.46 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 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 -1.23 0.37 -0.05 1.53 2.34 -1.26 -4.44 118.68 115.94 1wb6 s LEU 896 Ca 0.56 -0.54 -0.17 0.00 0.06 0.00 0.00 54.13 54.04 1wb6 s LEU 896 Cb -0.54 1.85 -0.05 0.00 -0.56 0.00 0.00 46.19 46.89 1wb6 s LEU 896 CO 0.61 -0.97 0.47 -0.63 -1.06 0.00 0.00 176.35 174.77 1wb6 s ILE 897 N -3.88 5.07 -0.10 1.48 1.01 -0.44 -3.84 121.20 120.50 1wb6 s ILE 897 Ca 0.10 0.95 0.03 0.00 0.00 0.00 0.00 60.65 61.73 1wb6 s ILE 897 Cb 0.01 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1wb6 s ILE 897 CO -0.04 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 1wb6 s VAL 898 N -0.19 1.76 -0.11 2.92 1.01 -0.70 -1.15 120.40 123.94 1wb6 s VAL 898 Ca 0.26 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1wb6 s VAL 898 Cb -0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1wb6 s VAL 898 CO 0.13 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.86 1wb6 s VAL 899 N 0.65 2.71 -0.50 2.92 1.01 -0.19 -0.22 120.40 126.77 1wb6 s VAL 899 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1wb6 s VAL 899 Cb -0.16 -2.10 0.13 0.00 0.00 0.00 0.00 36.38 34.25 1wb6 s VAL 899 CO 0.03 0.54 0.27 0.42 0.00 0.00 0.00 175.10 176.37 1wb6 s THR 900 N 0.20 3.06 0.00 3.92 -4.23 -0.05 -0.63 115.64 117.90 1wb6 s THR 900 Ca -0.10 -2.78 0.00 0.00 -1.18 0.00 0.00 61.69 57.62 1wb6 s THR 900 Cb -0.16 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1wb6 s THR 900 CO 0.06 -0.77 0.00 -0.81 -0.54 0.00 0.00 174.62 172.56 1wb6 n PRO 901 N 3.72 1.06 -3.93 3.99 -0.04 -1.26 -1.97 135.00 136.57 1wb6 n PRO 901 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1wb6 n PRO 901 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.72 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 0.31 0.08 -2.24 0.52 -1.32 -1.26 -4.15 115.64 107.59 1wb6 s THR 902 Ca 0.00 -0.67 0.19 0.00 -1.21 0.00 0.00 61.69 60.00 1wb6 s THR 902 Cb 0.00 -0.25 0.43 0.00 -1.51 0.00 0.00 72.50 71.17 1wb6 s THR 902 CO 0.00 -0.37 1.45 2.22 -2.21 0.00 0.00 174.62 175.72 1wb6 n PHE 903 N 1.89 0.38 -1.83 9.09 1.16 -1.26 -4.93 117.46 121.95 1wb6 n PHE 903 Ca -0.21 -0.19 -0.31 0.00 -1.87 0.00 0.00 57.45 54.87 1wb6 n PHE 903 Cb 0.56 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.45 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 -1.39 6.10 0.00 5.98 0.01 -1.26 -3.34 114.94 121.05 1wb6 s ASN 904 Ca 0.33 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.91 1wb6 s ASN 904 Cb 0.18 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1wb6 s ASN 904 CO 0.25 -0.95 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1wb6 n GLY 905 N -2.67 2.26 7.00 0.66 0.00 -1.26 -4.76 105.19 106.42 1wb6 n GLY 905 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.81 3.37 0.65 -0.02 0.00 -1.21 -0.65 105.19 109.13 1wb6 n GLY 906 Ca 0.00 -0.12 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 3.89 1.93 -4.77 1.61 4.13 -1.26 -4.98 115.26 115.81 1wb6 n ASN 907 Ca 0.00 -1.82 -0.39 0.00 1.68 0.00 0.00 54.58 54.05 1wb6 n ASN 907 Cb 0.00 -0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.04 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 -1.36 0.55 0.38 0.00 -4.23 -1.21 -4.51 115.64 105.26 1wb6 s THR 909 Ca 0.52 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1wb6 s THR 909 Cb -0.30 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.54 1wb6 s THR 909 CO 0.38 -0.30 1.97 0.00 -0.54 0.00 0.00 174.62 176.13 1wb6 h ALA 910 N 2.61 1.78 -0.25 3.99 0.00 -1.90 -1.44 119.26 124.05 1wb6 h ALA 910 Ca -0.37 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1wb6 h ALA 910 Cb 1.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wb6 h ALA 910 CO 0.61 0.10 -0.24 0.37 0.00 0.00 0.00 179.25 180.09 1wb6 h GLN 911 N 0.65 0.60 -0.03 0.00 4.15 -1.90 -3.34 115.11 115.25 1wb6 h GLN 911 Ca 0.30 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wb6 h GLN 911 Cb 0.32 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1wb6 h GLN 911 CO -0.09 0.91 -0.06 0.27 -1.93 0.00 0.00 178.83 177.93 1wb6 n ASN 912 N -4.35 2.68 0.00 -0.69 0.23 -1.03 -4.49 115.26 107.62 1wb6 n ASN 912 Ca -0.04 -1.87 0.14 0.00 -0.53 0.00 0.00 54.58 52.28 1wb6 n ASN 912 Cb 0.44 0.06 0.59 0.00 -2.08 0.00 0.00 39.78 38.78 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 4.12 0.21 -0.86 -2.53 3.57 -1.39 -1.76 116.94 118.31 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 0.91 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1wb6 h PHE 913 CO 0.00 0.10 0.60 0.10 -2.23 0.00 0.00 178.31 176.88 1wb6 h TYR 914 N 0.20 0.16 -0.30 0.41 -0.00 -1.86 -0.09 116.97 115.50 1wb6 h TYR 914 Ca 0.22 0.01 -0.18 0.00 0.00 0.00 0.00 58.73 58.78 1wb6 h TYR 914 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.29 1wb6 h TYR 914 CO -0.00 0.04 -0.52 0.37 -0.00 0.00 0.00 178.16 178.05 1wb6 h GLN 915 N 0.12 0.88 -0.48 0.10 5.75 -1.68 -1.45 115.11 118.34 1wb6 h GLN 915 Ca 0.42 -0.54 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 1wb6 h GLN 915 Cb 1.47 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.06 1wb6 h GLN 915 CO -0.06 1.18 0.03 1.49 -2.65 0.00 0.00 178.83 178.83 1wb6 h GLU 916 N 0.66 0.78 -0.18 1.69 4.81 -1.44 -2.29 114.58 118.61 1wb6 h GLU 916 Ca 0.02 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1wb6 h GLU 916 Cb 1.12 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1wb6 h GLU 916 CO 0.12 0.76 -0.09 0.35 -0.73 0.00 0.00 179.01 179.42 1wb6 h PHE 917 N 0.73 -0.21 -0.16 0.92 3.57 -0.86 0.76 116.94 121.68 1wb6 h PHE 917 Ca 0.15 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1wb6 h PHE 917 Cb 0.40 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1wb6 h PHE 917 CO 0.02 -0.14 0.04 0.00 -2.23 0.00 0.00 178.31 176.00 1wb6 h ARG 918 N -0.07 0.26 0.05 1.11 3.08 -1.16 -1.98 114.38 115.67 1wb6 h ARG 918 Ca 0.10 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 59.81 1wb6 h ARG 918 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1wb6 h ARG 918 CO -0.23 0.41 -1.45 1.96 -1.07 0.00 0.00 179.97 179.59 1wb6 h GLN 919 N 0.07 0.11 0.00 0.04 4.20 -1.31 -3.42 115.11 114.80 1wb6 h GLN 919 Ca 0.05 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1wb6 h GLN 919 Cb 0.26 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wb6 h GLN 919 CO 0.00 0.91 -0.94 0.09 -0.67 0.00 0.00 178.83 178.22 1wb6 n ASN 920 N -3.31 0.02 0.00 1.46 4.13 0.16 -4.66 115.26 113.07 1wb6 n ASN 920 Ca -0.13 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.01 1wb6 n ASN 920 Cb 1.02 -0.01 -0.10 0.00 -1.54 0.00 0.00 39.78 39.16 1wb6 n ASN 920 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1wb6 h VAL 921 N 0.00 1.30 0.16 2.41 2.07 -1.22 -1.57 116.25 119.40 1wb6 h VAL 921 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1wb6 h VAL 921 Cb 0.94 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1wb6 h VAL 921 CO 0.00 0.26 -0.16 0.40 0.02 0.00 0.00 177.57 178.09 1wb6 h ILE 922 N -0.48 0.64 -0.62 4.57 2.04 -1.61 -0.81 117.51 121.25 1wb6 h ILE 922 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wb6 h ILE 922 Cb 0.45 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1wb6 h ILE 922 CO 0.00 0.00 0.32 -0.65 0.00 0.00 0.00 178.15 177.83 1wb6 h PRO 923 N -0.35 0.86 0.20 2.37 0.11 -1.81 0.29 132.00 133.67 1wb6 h PRO 923 Ca 0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1wb6 h PRO 923 Cb 0.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1wb6 h PRO 923 CO -0.04 0.64 -0.10 0.35 -0.21 0.00 0.00 178.00 178.64 1wb6 h PHE 924 N 0.86 -0.25 -0.08 0.65 3.57 -1.00 -1.95 116.94 118.74 1wb6 h PHE 924 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1wb6 h PHE 924 Cb 0.05 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1wb6 h PHE 924 CO 0.01 0.04 -0.03 0.28 -2.23 0.00 0.00 178.31 176.38 1wb6 h VAL 925 N -0.55 1.31 -0.00 1.41 2.07 -1.00 -3.20 116.25 116.28 1wb6 h VAL 925 Ca -0.03 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1wb6 h VAL 925 Cb 0.41 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1wb6 h VAL 925 CO 0.05 0.28 -0.15 -0.62 0.02 0.00 0.00 177.57 177.15 1wb6 n GLU 926 N -4.77 0.27 0.13 1.57 1.02 0.08 -1.53 120.64 117.41 1wb6 n GLU 926 Ca -0.07 -0.08 0.03 0.00 -0.02 0.00 0.00 57.16 57.02 1wb6 n GLU 926 Cb 0.25 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.19 0.00 0.19 1.62 4.64 -1.40 -3.38 113.55 115.42 1wb6 h SER 927 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1wb6 h SER 927 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1wb6 h SER 927 CO 0.00 0.46 -1.90 0.50 -0.87 0.00 0.00 176.83 175.03 1wb6 h LYS 928 N 0.00 0.27 -6.15 4.77 3.64 -1.43 -3.48 116.57 114.19 1wb6 h LYS 928 Ca -0.02 -0.46 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 1wb6 h LYS 928 Cb 1.37 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 33.26 1wb6 h LYS 928 CO 0.06 1.16 -0.66 0.71 -2.27 0.00 0.00 179.45 178.45 1wb6 s TYR 929 N -2.57 2.57 -0.64 1.91 2.02 -0.58 -5.08 117.35 114.98 1wb6 s TYR 929 Ca -0.19 -0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.03 1wb6 s TYR 929 Cb 0.06 -1.25 0.12 0.00 -0.40 0.00 0.00 41.96 40.50 1wb6 s TYR 929 CO 0.80 0.59 0.73 -1.12 -1.57 0.00 0.00 175.55 174.97 1wb6 s SER 930 N -3.66 6.28 0.00 2.29 0.01 -1.26 -4.62 113.70 112.74 1wb6 s SER 930 Ca 0.32 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1wb6 s SER 930 Cb -0.04 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1wb6 s SER 930 CO 0.19 -1.04 0.00 0.35 0.41 0.00 0.00 173.24 173.15 1wb6 n THR 931 N 5.36 0.00 1.41 1.44 -2.24 -1.26 -1.54 114.28 117.45 1wb6 n THR 931 Ca -0.05 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1wb6 n THR 931 Cb 0.43 -0.70 0.74 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.43 0.00 -2.22 4.78 4.02 -1.24 -4.37 117.16 117.70 1wb6 n TYR 932 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1wb6 n TYR 932 Cb 0.00 -0.29 -0.02 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 -2.58 3.24 0.24 -0.72 0.00 -1.26 -4.73 121.76 115.95 1wb6 s ALA 933 Ca 0.28 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.64 1wb6 s ALA 933 Cb 0.20 -3.85 0.36 0.00 0.00 0.00 0.00 23.12 19.83 1wb6 s ALA 933 CO 0.47 -2.00 1.61 0.93 0.00 0.00 0.00 175.76 176.76 1wb6 h GLU 934 N 10.48 0.00 -4.36 0.00 5.08 -1.85 -3.45 114.58 120.48 1wb6 h GLU 934 Ca -0.31 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 1wb6 h GLU 934 Cb 1.13 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 1wb6 h GLU 934 CO 1.02 0.60 -0.53 -1.54 -1.00 0.00 0.00 179.01 177.56 1wb6 s SER 935 N -6.77 0.15 -0.25 1.42 1.04 -1.26 -5.07 113.70 102.95 1wb6 s SER 935 Ca -0.01 -1.23 0.12 0.00 0.48 0.00 0.00 55.95 55.31 1wb6 s SER 935 Cb 0.12 0.39 0.56 0.00 0.10 0.00 0.00 66.02 67.19 1wb6 s SER 935 CO 0.75 -0.86 1.52 0.35 0.98 0.00 0.00 173.24 175.99 1wb6 n THR 936 N -0.24 2.53 -1.05 2.02 -2.24 -1.26 -3.67 114.28 110.37 1wb6 n THR 936 Ca -0.01 -2.16 -0.30 0.00 -2.27 0.00 0.00 64.05 59.30 1wb6 n THR 936 Cb 0.65 -0.31 0.14 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.03 2.73 0.30 4.28 -4.23 -1.26 -4.77 115.64 109.65 1wb6 s THR 937 Ca 0.46 0.24 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1wb6 s THR 937 Cb 0.39 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.94 1wb6 s THR 937 CO 0.06 -0.31 1.75 -0.65 -0.54 0.00 0.00 174.62 174.94 1wb6 h PRO 938 N -1.55 0.64 -0.48 3.99 0.11 -1.98 -0.57 132.00 132.17 1wb6 h PRO 938 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1wb6 h PRO 938 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1wb6 h PRO 938 CO 0.50 0.42 0.16 0.37 -0.21 0.00 0.00 178.00 179.24 1wb6 h GLN 939 N 0.66 0.74 -0.28 1.05 4.15 -1.94 -0.15 115.11 119.34 1wb6 h GLN 939 Ca 0.57 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.74 1wb6 h GLN 939 Cb 0.93 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1wb6 h GLN 939 CO -0.41 0.69 -0.22 0.78 -1.93 0.00 0.00 178.83 177.73 1wb6 h GLY 940 N 0.64 0.56 0.58 2.39 0.00 -1.45 -0.95 103.07 104.84 1wb6 h GLY 940 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1wb6 h GLY 940 CO -0.01 0.41 -0.04 -2.22 0.00 0.00 0.00 176.54 174.69 1wb6 h ILE 941 N 0.46 1.37 -0.69 2.60 2.04 -1.01 -3.11 117.51 119.18 1wb6 h ILE 941 Ca 0.07 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1wb6 h ILE 941 Cb 0.64 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 1wb6 h ILE 941 CO 0.05 0.32 0.40 0.00 0.00 0.00 0.00 178.15 178.92 1wb6 h ALA 942 N 0.55 1.42 0.00 1.87 0.00 -0.91 -2.05 119.26 120.13 1wb6 h ALA 942 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wb6 h ALA 942 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wb6 h ALA 942 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1wb6 h ALA 943 N 1.50 1.00 -0.25 0.00 0.00 -1.15 -2.81 119.26 117.54 1wb6 h ALA 943 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wb6 h ALA 943 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wb6 h ALA 943 CO -0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 1wb6 n SER 944 N -2.60 3.41 0.26 0.00 3.41 -0.79 -4.77 113.62 112.55 1wb6 n SER 944 Ca 0.01 -2.69 0.09 0.00 -0.26 0.00 0.00 58.87 56.02 1wb6 n SER 944 Cb 0.23 -0.42 0.66 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.65 0.00 0.00 4.33 0.11 -1.35 -1.63 114.38 117.50 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 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1wb6 h ARG 945 CO 0.13 0.05 0.00 -1.33 0.10 0.00 0.00 179.97 178.92 1wb6 n MET 946 N -4.32 0.06 -0.36 0.08 2.81 -1.26 -2.36 117.12 111.78 1wb6 n MET 946 Ca -0.03 0.24 0.07 0.00 -1.81 0.00 0.00 57.70 56.18 1wb6 n MET 946 Cb 0.14 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.43 0.40 -4.31 2.03 8.25 -0.61 -4.72 115.22 114.83 1wb6 n HIS 947 Ca 0.04 -1.13 -0.20 0.00 -0.26 0.00 0.00 57.72 56.17 1wb6 n HIS 947 Cb 0.14 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.98 0.94 0.13 -0.41 3.52 -1.04 -1.92 118.95 117.19 1wb6 s ARG 948 Ca 0.37 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1wb6 s ARG 948 Cb 0.33 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.79 1wb6 s ARG 948 CO 0.03 0.04 -0.05 0.20 -0.81 0.00 0.00 175.30 174.70 1wb6 s GLY 949 N 0.47 0.98 -0.01 8.12 0.00 -0.22 -2.32 107.32 114.34 1wb6 s GLY 949 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1wb6 s GLY 949 CO 0.01 -1.51 0.01 -0.12 0.00 0.00 0.00 173.10 171.48 1wb6 s PHE 950 N -3.57 0.10 0.35 1.90 2.19 -0.22 -1.21 117.98 117.53 1wb6 s PHE 950 Ca 0.17 0.03 -0.03 0.00 0.33 0.00 0.00 56.93 57.43 1wb6 s PHE 950 Cb 0.05 -0.17 0.01 0.00 -1.31 0.00 0.00 43.02 41.60 1wb6 s PHE 950 CO -0.01 -0.05 0.50 0.20 1.83 0.00 0.00 175.22 177.69 1wb6 s GLY 951 N 0.49 1.42 0.00 13.12 0.00 0.13 -0.72 107.32 121.76 1wb6 s GLY 951 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1wb6 s GLY 951 CO -0.01 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1wb6 n GLY 952 N -0.57 1.35 3.49 0.20 0.00 -0.96 -0.70 105.19 108.00 1wb6 n GLY 952 Ca 0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 3.02 0.00 1.61 5.36 -0.56 -0.95 117.98 124.46 1wb6 s PHE 953 Ca 0.00 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.65 1wb6 s PHE 953 Cb 0.00 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1wb6 s PHE 953 CO 0.00 -0.05 0.00 0.00 -1.46 0.00 0.00 175.22 173.71 1wb6 n ALA 954 N 3.58 0.00 0.24 11.12 0.00 -0.02 -0.33 120.51 135.10 1wb6 n ALA 954 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1wb6 n ALA 954 Cb 0.52 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.73 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 0.13 114.93 116.09 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 -0.15 0.78 1.06 0.00 0.00 176.91 178.60 1wb6 h GLY 956 N 0.00 0.00 0.80 8.32 0.00 -0.33 -0.88 103.07 110.98 1wb6 h GLY 956 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1wb6 h GLY 956 CO -0.00 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.18 1wb6 h GLY 957 N 2.18 0.38 0.22 4.60 0.00 -0.58 -1.81 103.07 108.06 1wb6 h GLY 957 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.14 1wb6 h GLY 957 CO 0.02 0.27 0.13 -2.00 0.00 0.00 0.00 176.54 174.96 1wb6 h LEU 958 N 0.08 0.02 -0.74 3.11 6.46 -1.10 -1.81 115.31 121.32 1wb6 h LEU 958 Ca 0.05 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 58.02 1wb6 h LEU 958 Cb 0.45 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.44 1wb6 h LEU 958 CO 0.01 0.02 0.37 0.74 -0.62 0.00 0.00 178.44 178.96 1wb6 h THR 959 N 0.26 0.82 -0.62 1.05 2.02 -1.04 -2.03 112.91 113.36 1wb6 h THR 959 Ca 0.31 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.31 1wb6 h THR 959 Cb 0.44 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1wb6 h THR 959 CO -0.39 0.11 0.38 0.74 0.37 0.00 0.00 175.52 176.74 1wb6 h THR 960 N 0.60 1.07 -0.66 3.16 2.02 -0.53 0.10 112.91 118.68 1wb6 h THR 960 Ca 0.37 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 1wb6 h THR 960 Cb 0.43 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1wb6 h THR 960 CO -0.29 0.14 0.13 -0.50 0.37 0.00 0.00 175.52 175.36 1wb6 h TRP 961 N 0.75 1.13 -0.13 3.16 4.06 -0.70 0.79 115.95 125.02 1wb6 h TRP 961 Ca 0.25 -0.14 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1wb6 h TRP 961 Cb 0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.86 1wb6 h TRP 961 CO -0.05 0.94 -0.42 1.88 -3.56 0.00 0.00 178.44 177.22 1wb6 h TYR 962 N 1.01 0.36 -0.28 0.49 -1.99 -0.90 -1.78 116.97 113.88 1wb6 h TYR 962 Ca 0.21 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1wb6 h TYR 962 Cb 0.40 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 1wb6 h TYR 962 CO 0.03 0.68 0.12 0.28 -0.00 0.00 0.00 178.16 179.27 1wb6 h VAL 963 N 0.25 1.17 -0.04 -2.88 2.07 -0.43 -2.52 116.25 113.88 1wb6 h VAL 963 Ca 0.02 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1wb6 h VAL 963 Cb 0.86 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1wb6 h VAL 963 CO 0.07 0.18 -0.15 -0.03 0.02 0.00 0.00 177.57 177.66 1wb6 h MET 964 N 0.31 -0.22 0.00 1.57 1.85 -0.47 0.25 114.93 118.22 1wb6 h MET 964 Ca 0.10 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1wb6 h MET 964 Cb 0.17 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 1wb6 h MET 964 CO -0.01 -0.15 -0.04 -0.39 -0.40 0.00 0.00 176.91 175.93 1wb6 h VAL 965 N -0.23 0.10 -0.00 -5.77 -1.51 -1.30 -3.08 116.25 104.45 1wb6 h VAL 965 Ca 0.06 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1wb6 h VAL 965 Cb 0.31 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1wb6 h VAL 965 CO -0.17 0.04 -0.45 0.59 -1.23 0.00 0.00 177.57 176.35 1wb6 n ASN 966 N -3.14 1.04 -0.86 4.19 3.02 -0.95 -4.69 115.26 113.86 1wb6 n ASN 966 Ca 0.01 -1.02 0.03 0.00 -0.03 0.00 0.00 54.58 53.57 1wb6 n ASN 966 Cb 0.35 0.74 0.04 0.00 -0.61 0.00 0.00 39.78 40.30 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 0.50 0.00 -1.83 0.00 3.38 -1.71 -0.78 115.31 114.87 1wb6 h LEU 968 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1wb6 h LEU 968 Cb 1.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1wb6 h LEU 968 CO 0.04 0.00 -0.14 -2.24 0.09 0.00 0.00 178.44 176.19 1wb6 h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.24 116.42 112.86 1wb6 h ASP 969 Ca 0.10 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.38 1wb6 h ASP 969 Cb 0.43 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1wb6 h ASP 969 CO -0.00 0.14 -1.77 -1.22 -1.03 0.00 0.00 179.24 175.36 1wb6 n TYR 970 N -4.01 0.00 -4.01 4.15 4.01 -0.41 -4.33 117.16 112.56 1wb6 n TYR 970 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 1wb6 n TYR 970 Cb 0.23 -0.40 -0.15 0.00 -0.31 0.00 0.00 39.34 38.70 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 -3.10 0.25 -0.10 -0.72 1.01 -0.52 -4.38 120.40 112.85 1wb6 s VAL 971 Ca -0.06 -0.02 0.14 0.00 0.00 0.00 0.00 61.98 62.03 1wb6 s VAL 971 Cb 0.10 -0.29 -0.20 0.00 0.00 0.00 0.00 36.38 35.99 1wb6 s VAL 971 CO 0.68 0.13 0.16 0.00 0.00 0.00 0.00 175.10 176.07 1wb6 n ALA 972 N 3.70 2.01 -3.13 5.51 0.00 -0.98 -4.46 120.51 123.16 1wb6 n ALA 972 Ca -0.22 -0.73 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 1wb6 n ALA 972 Cb 0.53 -0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.64 2.49 -0.05 0.00 1.51 -1.15 -0.81 117.35 116.69 1wb6 s TYR 973 Ca -0.07 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.06 1wb6 s TYR 973 Cb 0.07 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1wb6 s TYR 973 CO 0.62 -0.37 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.48 1wb6 s PHE 974 N 0.24 1.55 -0.54 2.71 0.08 -0.23 -1.05 117.98 120.74 1wb6 s PHE 974 Ca -0.16 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1wb6 s PHE 974 Cb -0.17 -1.08 0.23 0.00 -0.57 0.00 0.00 43.02 41.43 1wb6 s PHE 974 CO 0.08 -0.21 0.60 -0.12 -0.10 0.00 0.00 175.22 175.46 1wb6 n MET 975 N 3.45 1.57 -2.41 0.44 1.56 0.11 -0.93 117.12 120.90 1wb6 n MET 975 Ca -0.20 -3.99 -0.42 0.00 -0.27 0.00 0.00 57.70 52.82 1wb6 n MET 975 Cb 0.53 -1.83 -0.03 0.00 2.15 0.00 0.00 33.22 34.04 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 -1.65 4.37 -0.23 2.12 0.04 -1.25 -2.27 135.00 136.13 1wb6 s PRO 976 Ca 0.36 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1wb6 s PRO 976 Cb 0.12 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1wb6 s PRO 976 CO -0.08 -0.40 -0.12 -0.51 0.04 0.00 0.00 177.00 175.92 1wb6 s LEU 977 N 1.86 2.94 -1.38 -3.56 1.43 -0.13 -1.93 118.68 117.93 1wb6 s LEU 977 Ca 0.58 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1wb6 s LEU 977 Cb -0.27 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1wb6 s LEU 977 CO 0.25 -0.11 0.62 -1.20 0.23 0.00 0.00 176.35 176.15 1wb6 n SER 978 N 4.58 -1.23 -3.61 2.29 7.64 -0.08 -0.84 113.62 122.37 1wb6 n SER 978 Ca -0.17 -0.89 -0.13 0.00 1.01 0.00 0.00 58.87 58.68 1wb6 n SER 978 Cb 0.46 -3.63 -0.07 0.00 -1.01 0.00 0.00 64.21 59.97 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 -4.24 -0.43 0.45 0.23 0.00 -1.26 -2.99 107.32 99.08 1wb6 s GLY 979 Ca 0.09 2.07 0.08 0.00 0.00 0.00 0.00 44.72 46.95 1wb6 s GLY 979 CO 0.85 1.58 0.54 0.51 0.00 0.00 0.00 173.10 176.58 1wb6 s ASP 980 N -0.03 5.31 -0.46 1.64 -4.77 -1.26 -4.59 116.67 112.51 1wb6 s ASP 980 Ca -0.01 -0.65 -0.23 0.00 -3.30 0.00 0.00 52.55 48.37 1wb6 s ASP 980 Cb -0.04 -0.40 0.03 0.00 -1.09 0.00 0.00 42.92 41.42 1wb6 s ASP 980 CO 0.01 -0.85 0.77 -0.47 0.70 0.00 0.00 175.17 175.33 1wb6 s TYR 981 N -2.47 2.98 -1.23 2.11 5.04 -1.26 -4.17 117.35 118.35 1wb6 s TYR 981 Ca 0.53 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 1wb6 s TYR 981 Cb -0.07 -3.66 0.15 0.00 0.35 0.00 0.00 41.96 38.73 1wb6 s TYR 981 CO 0.32 -1.02 1.51 -1.58 -1.34 0.00 0.00 175.55 173.44 1wb6 s TRP 982 N 3.26 3.32 -0.39 4.97 0.52 -1.26 -4.76 118.94 124.61 1wb6 s TRP 982 Ca 0.28 -2.01 0.07 0.00 0.02 0.00 0.00 56.10 54.46 1wb6 s TRP 982 Cb -0.13 -4.43 0.18 0.00 -1.15 0.00 0.00 33.47 27.95 1wb6 s TRP 982 CO 0.21 -1.50 0.61 -0.47 0.02 0.00 0.00 176.95 175.82 1wb6 s TYR 983 N 2.24 -1.66 0.00 -1.98 5.04 -1.26 -5.12 117.35 114.60 1wb6 s TYR 983 Ca 0.46 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1wb6 s TYR 983 Cb -0.01 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1wb6 s TYR 983 CO 0.02 -1.15 0.00 0.41 -1.34 0.00 0.00 175.55 173.49 1wb6 n GLY 984 N 4.56 3.95 0.75 8.97 0.00 -1.26 -3.76 105.19 118.39 1wb6 n GLY 984 Ca 0.10 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 2.31 -3.86 1.61 3.02 -1.26 -4.87 115.26 112.21 1wb6 n ASN 985 Ca 0.00 -1.77 -0.09 0.00 -0.03 0.00 0.00 54.58 52.68 1wb6 n ASN 985 Cb 0.00 -0.04 -0.05 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 -1.90 -0.10 0.42 6.41 1.04 -1.26 -5.02 113.70 113.29 1wb6 s SER 986 Ca 0.34 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1wb6 s SER 986 Cb 0.20 0.51 0.88 0.00 0.10 0.00 0.00 66.02 67.72 1wb6 s SER 986 CO 0.31 -0.98 2.05 -0.65 0.98 0.00 0.00 173.24 174.95 1wb6 h PRO 987 N 2.37 0.46 -0.49 4.02 0.11 -1.91 -2.19 132.00 134.38 1wb6 h PRO 987 Ca -0.30 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1wb6 h PRO 987 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1wb6 h PRO 987 CO 0.43 0.33 -0.05 1.96 -0.21 0.00 0.00 178.00 180.45 1wb6 h GLN 988 N 0.47 0.85 -0.58 1.05 7.50 -1.95 -1.21 115.11 121.25 1wb6 h GLN 988 Ca 0.12 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 59.01 1wb6 h GLN 988 Cb -0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 1wb6 h GLN 988 CO -0.02 0.89 0.35 -0.44 -1.50 0.00 0.00 178.83 178.11 1wb6 h ASP 989 N 0.78 0.69 0.10 1.46 3.32 -1.76 0.12 116.42 121.14 1wb6 h ASP 989 Ca 0.14 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1wb6 h ASP 989 Cb 0.54 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1wb6 h ASP 989 CO 0.03 0.54 -0.05 0.11 -1.72 0.00 0.00 179.24 178.16 1wb6 h LYS 990 N 0.78 -0.13 -0.81 3.56 1.57 -1.07 -1.15 116.57 119.32 1wb6 h LYS 990 Ca 0.21 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1wb6 h LYS 990 Cb -0.02 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1wb6 h LYS 990 CO -0.04 -0.07 0.53 0.00 -0.57 0.00 0.00 179.45 179.30 1wb6 h ALA 991 N 0.74 1.03 -0.19 3.86 0.00 -1.02 -2.26 119.26 121.42 1wb6 h ALA 991 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wb6 h ALA 991 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wb6 h ALA 991 CO 0.02 0.46 -0.27 -0.91 0.00 0.00 0.00 179.25 178.55 1wb6 h ASN 992 N 1.11 0.36 -0.42 0.00 2.35 -0.62 -0.02 115.58 118.34 1wb6 h ASN 992 Ca 0.30 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1wb6 h ASN 992 Cb -0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1wb6 h ASN 992 CO -0.06 0.63 0.13 -1.28 -1.65 0.00 0.00 177.43 175.20 1wb6 h SER 993 N 0.32 0.62 -0.45 5.81 0.87 -0.85 0.19 113.55 120.08 1wb6 h SER 993 Ca 0.05 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1wb6 h SER 993 Cb 0.65 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1wb6 h SER 993 CO 0.05 0.67 0.19 0.40 -0.53 0.00 0.00 176.83 177.61 1wb6 h ILE 994 N 0.55 1.20 -0.73 2.23 2.04 -1.01 -1.32 117.51 120.45 1wb6 h ILE 994 Ca 0.14 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1wb6 h ILE 994 Cb 0.28 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1wb6 h ILE 994 CO -0.00 0.22 0.47 0.00 0.00 0.00 0.00 178.15 178.84 1wb6 h ALA 995 N 1.03 0.94 -0.41 1.87 0.00 -0.79 -0.88 119.26 121.03 1wb6 h ALA 995 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1wb6 h ALA 995 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wb6 h ALA 995 CO -0.01 0.29 -0.10 0.93 0.00 0.00 0.00 179.25 180.36 1wb6 h GLU 996 N 0.94 0.72 -0.63 0.00 5.08 -0.70 0.81 114.58 120.80 1wb6 h GLU 996 Ca 0.28 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1wb6 h GLU 996 Cb -0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1wb6 h GLU 996 CO -0.09 0.80 0.32 0.00 -1.00 0.00 0.00 179.01 179.04 1wb6 h ALA 997 N 1.23 0.81 -0.29 3.43 0.00 -0.81 -0.00 119.26 123.63 1wb6 h ALA 997 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wb6 h ALA 997 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wb6 h ALA 997 CO 0.03 0.36 0.15 0.82 0.00 0.00 0.00 179.25 180.61 1wb6 h ILE 998 N 0.86 1.14 -0.24 0.00 2.04 -0.70 -1.68 117.51 118.93 1wb6 h ILE 998 Ca 0.22 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1wb6 h ILE 998 Cb 0.09 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1wb6 h ILE 998 CO -0.03 0.14 -0.10 0.78 0.00 0.00 0.00 178.15 178.94 1wb6 h ASN 999 N 0.34 -0.35 -0.57 1.72 -0.26 -0.53 -2.22 115.58 113.71 1wb6 h ASN 999 Ca 0.10 0.09 0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1wb6 h ASN 999 Cb 0.09 0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 1wb6 h ASN 999 CO -0.01 -0.13 0.38 0.03 -1.06 0.00 0.00 177.43 176.63 1wb6 h ARG 1000N -0.07 0.74 0.00 0.81 3.08 -0.82 -2.49 114.38 115.64 1wb6 h ARG 1000Ca 0.13 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1wb6 h ARG 1000Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1wb6 h ARG 1000CO -0.28 0.49 -0.24 0.66 -1.07 0.00 0.00 179.97 179.53 1wb6 h SER 1001N 0.76 0.00 0.00 7.04 4.64 -0.69 -3.47 113.55 121.83 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 -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wb6 h SER 1001CO -0.05 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1wb6 n GLY 1002N -0.16 0.87 3.77 -0.77 0.00 -0.94 -5.01 105.19 102.95 1wb6 n GLY 1002Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.56 0.71 0.99 1.43 -1.25 -5.05 118.68 119.07 1wb6 s LEU 1003Ca 0.00 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1wb6 s LEU 1003Cb 0.00 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.69 1wb6 s LEU 1003CO 0.00 -1.51 1.06 -0.94 0.23 0.00 0.00 176.35 175.19 1wb6 s SER 1004N -2.09 5.09 0.00 2.29 1.04 -1.26 -4.93 113.70 113.85 1wb6 s SER 1004Ca 0.71 0.80 0.12 0.00 0.48 0.00 0.00 55.95 58.05 1wb6 s SER 1004Cb -0.24 -1.52 0.52 0.00 0.10 0.00 0.00 66.02 64.88 1wb6 s SER 1004CO 0.35 -1.49 1.35 0.29 0.98 0.00 0.00 173.24 174.73 1wb6 n LYS 1005N -2.98 0.04 -0.29 4.02 5.02 -1.26 -1.58 118.16 121.13 1wb6 n LYS 1005Ca 0.07 0.27 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1wb6 n LYS 1005Cb 0.59 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.45 2.35 0.00 1.97 5.12 -1.26 -4.30 116.66 119.09 1wb6 n ARG 1006Ca 0.03 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 53.86 1wb6 n ARG 1006Cb 0.13 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 1.21 1.05 -3.76 5.56 1.02 -0.62 -4.97 120.64 120.13 1wb6 n GLU 1007Ca 0.20 -0.94 -0.13 0.00 -0.02 0.00 0.00 57.16 56.26 1wb6 n GLU 1007Cb 0.50 -0.93 -0.09 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.47 -0.17 -0.10 -0.32 -0.85 -1.26 -4.70 117.35 109.48 1wb6 s TYR 1008Ca 0.00 0.25 -0.06 0.00 -0.52 0.00 0.00 57.07 56.74 1wb6 s TYR 1008Cb 0.00 0.09 0.04 0.00 0.38 0.00 0.00 41.96 42.47 1wb6 s TYR 1008CO 0.00 -0.39 0.23 -0.06 -1.52 0.00 0.00 175.55 173.82 1wb6 s PHE 1009N -1.33 -0.29 -0.18 -3.49 0.40 0.01 -4.82 117.98 108.28 1wb6 s PHE 1009Ca -0.14 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1wb6 s PHE 1009Cb -0.05 0.05 0.04 0.00 0.51 0.00 0.00 43.02 43.56 1wb6 s PHE 1009CO 0.04 -0.20 -0.11 0.08 0.70 0.00 0.00 175.22 175.74 1wb6 s VAL 1010N 0.96 1.52 -0.47 -0.44 1.01 -0.29 -1.07 120.40 121.63 1wb6 s VAL 1010Ca -0.07 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wb6 s VAL 1010Cb -0.08 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.87 1wb6 s VAL 1010CO -0.06 0.26 0.23 0.12 0.00 0.00 0.00 175.10 175.64 1wb6 s PHE 1011N 1.47 3.46 0.34 5.22 2.19 -0.11 -1.32 117.98 129.23 1wb6 s PHE 1011Ca 0.01 -2.91 -0.09 0.00 0.33 0.00 0.00 56.93 54.27 1wb6 s PHE 1011Cb -0.15 -3.00 -0.06 0.00 -1.31 0.00 0.00 43.02 38.50 1wb6 s PHE 1011CO -0.09 -0.86 0.67 0.00 1.83 0.00 0.00 175.22 176.77 1wb6 s ALA 1012N 0.33 3.46 0.01 11.12 0.00 -0.28 -3.83 121.76 132.56 1wb6 s ALA 1012Ca 0.14 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 1wb6 s ALA 1012Cb -0.22 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1wb6 s ALA 1012CO -0.04 0.18 0.46 0.00 0.00 0.00 0.00 175.76 176.36 1wb6 s ALA 1013N -2.16 -1.16 0.34 0.00 0.00 -0.81 -1.04 121.76 116.93 1wb6 s ALA 1013Ca 0.49 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1wb6 s ALA 1013Cb -0.11 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1wb6 s ALA 1013CO 0.28 -0.39 0.67 -2.37 0.00 0.00 0.00 175.76 173.94 1wb6 n THR 1014N 0.78 0.00 -3.84 0.00 5.66 -0.24 -0.90 114.28 115.74 1wb6 n THR 1014Ca -0.19 -0.88 -0.31 0.00 -3.05 0.00 0.00 64.05 59.62 1wb6 n THR 1014Cb 0.58 0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.78 2.20 0.42 1.09 0.00 -1.26 -1.00 107.32 105.99 1wb6 s GLY 1015Ca 0.14 -0.75 0.29 0.00 0.00 0.00 0.00 44.72 44.40 1wb6 s GLY 1015CO 0.10 -0.72 1.87 1.48 0.00 0.00 0.00 173.10 175.84 1wb6 h SER 1016N 3.01 0.00 -0.29 1.64 4.64 -0.89 -1.91 113.55 119.74 1wb6 h SER 1016Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1wb6 h SER 1016Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wb6 h SER 1016CO 0.75 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.09 1wb6 n GLU 1017N -2.67 3.09 -3.53 4.77 -0.58 -0.25 -4.87 120.64 116.60 1wb6 n GLU 1017Ca 0.01 -2.89 -0.37 0.00 -0.42 0.00 0.00 57.16 53.49 1wb6 n GLU 1017Cb 0.25 -1.89 -0.09 0.00 -0.57 0.00 0.00 31.44 29.14 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 -1.84 6.26 0.55 1.62 -1.08 -0.72 -4.37 116.67 117.10 1wb6 s ASP 1018Ca 0.44 0.30 0.33 0.00 -0.52 0.00 0.00 52.55 53.09 1wb6 s ASP 1018Cb 0.35 -2.17 1.49 0.00 -1.46 0.00 0.00 42.92 41.14 1wb6 s ASP 1018CO 0.09 -0.01 1.83 0.16 0.52 0.00 0.00 175.17 177.77 1wb6 h ILE 1019N 5.04 0.44 0.00 4.11 3.07 -1.92 -0.54 117.51 127.71 1wb6 h ILE 1019Ca -0.37 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 1wb6 h ILE 1019Cb 1.17 0.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.19 1wb6 h ILE 1019CO 0.68 0.00 -0.04 0.00 -1.05 0.00 0.00 178.15 177.74 1wb6 h ALA 1020N 1.43 1.10 -1.00 0.16 0.00 -1.92 -2.55 119.26 116.49 1wb6 h ALA 1020Ca 0.46 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.50 1wb6 h ALA 1020Cb 1.92 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.60 1wb6 h ALA 1020CO -0.00 0.06 0.62 -0.92 0.00 0.00 0.00 179.25 179.00 1wb6 h TYR 1021N 0.00 1.06 -0.90 0.00 5.03 -1.35 -0.53 116.97 120.27 1wb6 h TYR 1021Ca -0.00 0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.44 1wb6 h TYR 1021Cb 0.29 -0.32 -0.08 0.00 1.55 0.00 0.00 36.73 38.17 1wb6 h TYR 1021CO 0.00 0.29 0.54 0.00 -1.32 0.00 0.00 178.16 177.67 1wb6 h ALA 1022N 1.62 1.31 0.00 1.82 0.00 -1.66 -0.29 119.26 122.06 1wb6 h ALA 1022Ca 0.55 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.17 1wb6 h ALA 1022Cb 0.81 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1wb6 h ALA 1022CO -0.34 0.18 -1.96 0.09 0.00 0.00 0.00 179.25 177.22 1wb6 n ASN 1023N -4.68 0.52 -0.06 0.00 3.02 -1.01 -4.37 115.26 108.69 1wb6 n ASN 1023Ca 0.16 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.84 1wb6 n ASN 1023Cb 0.29 0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.80 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 0.00 0.31 -0.32 3.52 2.86 -0.88 -3.22 114.93 117.20 1wb6 h MET 1024Ca -0.38 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1wb6 h MET 1024Cb 2.07 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.68 1wb6 h MET 1024CO 0.06 0.50 0.20 -0.97 1.06 0.00 0.00 176.91 177.76 1wb6 h ASN 1025N 0.08 0.38 -0.57 1.22 -1.24 -1.25 0.60 115.58 114.80 1wb6 h ASN 1025Ca 0.05 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1wb6 h ASN 1025Cb 0.36 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1wb6 h ASN 1025CO 0.01 0.30 0.36 -0.65 -1.29 0.00 0.00 177.43 176.16 1wb6 h PRO 1026N 0.42 0.78 -0.38 6.67 0.11 -1.76 -1.27 132.00 136.56 1wb6 h PRO 1026Ca 0.12 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1wb6 h PRO 1026Cb -0.01 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1wb6 h PRO 1026CO -0.02 0.54 0.13 0.37 -0.21 0.00 0.00 178.00 178.81 1wb6 h GLN 1027N 0.79 0.59 -0.55 1.05 4.15 -1.34 -1.61 115.11 118.20 1wb6 h GLN 1027Ca 0.21 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1wb6 h GLN 1027Cb -0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1wb6 h GLN 1027CO -0.04 0.59 0.37 0.82 -1.93 0.00 0.00 178.83 178.63 1wb6 h ILE 1028N 0.47 1.14 -0.88 2.39 1.08 -0.49 -0.72 117.51 120.51 1wb6 h ILE 1028Ca 0.12 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1wb6 h ILE 1028Cb 0.24 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 1wb6 h ILE 1028CO -0.01 0.14 0.48 -0.33 -0.69 0.00 0.00 178.15 177.74 1wb6 h GLU 1029N 0.75 1.22 -0.64 2.37 4.39 -1.10 -0.37 114.58 121.19 1wb6 h GLU 1029Ca 0.20 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1wb6 h GLU 1029Cb -0.09 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 1wb6 h GLU 1029CO -0.04 0.90 0.14 0.00 -1.16 0.00 0.00 179.01 178.84 1wb6 h ALA 1030N 1.26 1.02 -0.49 3.43 0.00 -0.85 -2.77 119.26 120.86 1wb6 h ALA 1030Ca 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1wb6 h ALA 1030Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1wb6 h ALA 1030CO -0.05 0.63 -0.03 0.52 0.00 0.00 0.00 179.25 180.32 1wb6 h MET 1031N 0.98 0.83 -0.48 0.00 2.86 -0.59 -2.88 114.93 115.65 1wb6 h MET 1031Ca 0.20 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1wb6 h MET 1031Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1wb6 h MET 1031CO 0.00 0.85 0.32 0.87 1.06 0.00 0.00 176.91 180.01 1wb6 h LYS 1032N 0.76 0.58 0.00 1.72 1.57 -0.80 -1.53 116.57 118.87 1wb6 h LYS 1032Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1wb6 h LYS 1032Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wb6 h LYS 1032CO 0.03 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1wb6 n ALA 1033N -2.47 1.84 -1.78 3.86 0.00 -1.09 -4.77 120.51 116.10 1wb6 n ALA 1033Ca 0.05 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1wb6 n ALA 1033Cb 0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -4.05 4.11 0.47 0.00 1.43 -0.58 -4.93 118.68 115.13 1wb6 s LEU 1034Ca 0.07 2.13 0.32 0.00 -1.03 0.00 0.00 54.13 55.62 1wb6 s LEU 1034Cb 0.11 -4.19 1.49 0.00 0.03 0.00 0.00 46.19 43.63 1wb6 s LEU 1034CO 0.42 -0.62 1.96 1.55 0.23 0.00 0.00 176.35 179.88 1wb6 h PRO 1035N 2.38 0.00 0.00 1.29 0.13 -1.87 -3.01 132.00 130.92 1wb6 h PRO 1035Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 -3.76 1.56 3.86 -1.91 -3.43 115.15 111.47 1wb6 h HIS 1036Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1wb6 h HIS 1036Cb 0.27 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.42 1wb6 h HIS 1036CO 0.00 0.00 -0.86 -0.06 0.86 0.00 0.00 177.93 177.87 1wb6 s PHE 1037N -3.67 2.04 -0.32 2.45 0.08 -1.14 -4.81 117.98 112.62 1wb6 s PHE 1037Ca 0.01 -0.67 -0.03 0.00 0.12 0.00 0.00 56.93 56.35 1wb6 s PHE 1037Cb 0.09 -1.37 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 1wb6 s PHE 1037CO 0.48 -0.24 0.04 -0.51 -0.10 0.00 0.00 175.22 174.88 1wb6 s ASP 1038N 0.13 5.05 -0.30 1.36 1.01 -1.26 -4.81 116.67 117.84 1wb6 s ASP 1038Ca -0.08 -1.23 -0.28 0.00 0.71 0.00 0.00 52.55 51.66 1wb6 s ASP 1038Cb -0.14 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1wb6 s ASP 1038CO 0.04 -0.29 1.04 -0.47 0.21 0.00 0.00 175.17 175.70 1wb6 s TYR 1039N 1.31 3.19 0.00 4.23 5.04 -1.26 -1.13 117.35 128.73 1wb6 s TYR 1039Ca -0.04 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1wb6 s TYR 1039Cb -0.20 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1wb6 s TYR 1039CO 0.00 -0.69 0.00 -2.37 -1.34 0.00 0.00 175.55 171.15 1wb6 n THR 1040N 5.73 0.00 1.18 4.34 5.66 0.31 -4.95 114.28 126.55 1wb6 n THR 1040Ca 0.11 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.25 1wb6 n THR 1040Cb 0.47 0.00 0.66 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.03 -4.54 1.09 3.41 -0.69 -3.54 113.62 109.38 1wb6 n SER 1041Ca 0.00 0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.39 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 -2.82 6.47 0.00 4.04 -1.08 -1.02 -4.70 116.67 117.56 1wb6 s ASP 1042Ca 0.20 -1.41 0.19 0.00 -0.52 0.00 0.00 52.55 51.02 1wb6 s ASP 1042Cb 0.19 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 40.21 1wb6 s ASP 1042CO 0.51 -1.47 1.56 0.49 0.52 0.00 0.00 175.17 176.78 1wb6 n PHE 1043N 8.50 0.00 0.71 -5.34 3.72 -1.26 -1.08 117.46 122.72 1wb6 n PHE 1043Ca 0.26 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.79 1wb6 n PHE 1043Cb 0.50 -0.11 0.48 0.00 -0.94 0.00 0.00 39.48 39.42 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 -1.11 0.43 -0.02 4.37 3.41 -1.26 -4.24 113.62 115.20 1wb6 n SER 1044Ca 0.13 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1wb6 n SER 1044Cb 0.10 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.91 0.09 0.00 4.33 5.02 -0.24 -5.12 118.16 120.32 1wb6 n LYS 1045Ca 0.05 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1wb6 n LYS 1045Cb 0.35 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 3.08 5.51 0.32 0.72 0.00 -0.35 -5.03 105.19 109.45 1wb6 n GLY 1046Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.00 -3.68 1.61 6.94 -0.28 -4.15 115.26 115.70 1wb6 n ASN 1047Ca 0.00 -1.21 -0.10 0.00 -0.02 0.00 0.00 54.58 53.26 1wb6 n ASN 1047Cb 0.00 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 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 -0.71 -0.00 -2.53 5.36 -1.07 -1.13 117.98 117.90 1wb6 s PHE 1048Ca 0.00 1.47 -0.14 0.00 -0.96 0.00 0.00 56.93 57.30 1wb6 s PHE 1048Cb 0.00 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.04 1wb6 s PHE 1048CO 0.00 -0.39 0.29 -0.47 -1.46 0.00 0.00 175.22 173.19 1wb6 s TYR 1049N 1.55 -0.14 -0.26 10.12 5.04 -0.43 -0.53 117.35 132.70 1wb6 s TYR 1049Ca -0.09 0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 54.69 1wb6 s TYR 1049Cb -0.08 0.08 0.08 0.00 0.35 0.00 0.00 41.96 42.39 1wb6 s TYR 1049CO -0.14 -0.40 0.06 0.12 -1.34 0.00 0.00 175.55 173.85 1wb6 s PHE 1050N -1.59 1.46 -0.18 4.97 5.36 -1.26 -1.13 117.98 125.62 1wb6 s PHE 1050Ca -0.12 -1.37 -0.21 0.00 -0.96 0.00 0.00 56.93 54.27 1wb6 s PHE 1050Cb -0.04 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 1wb6 s PHE 1050CO 0.02 -0.77 0.61 -1.17 -1.46 0.00 0.00 175.22 172.46 1wb6 s LEU 1051N 1.71 4.17 -0.25 6.12 0.20 -0.21 -4.96 118.68 125.45 1wb6 s LEU 1051Ca 0.04 0.84 0.01 0.00 0.69 0.00 0.00 54.13 55.71 1wb6 s LEU 1051Cb -0.17 -2.87 0.04 0.00 -0.43 0.00 0.00 46.19 42.76 1wb6 s LEU 1051CO -0.18 -0.23 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.87 1wb6 s VAL 1052N 1.69 2.46 -0.23 1.68 1.01 -1.26 -1.08 120.40 124.67 1wb6 s VAL 1052Ca 0.29 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 1wb6 s VAL 1052Cb -0.16 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1wb6 s VAL 1052CO 0.11 0.10 0.89 0.00 0.00 0.00 0.00 175.10 176.21 1wb6 s ALA 1053N 1.21 3.64 0.16 5.51 0.00 -0.17 -4.77 121.76 127.35 1wb6 s ALA 1053Ca -0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 1wb6 s ALA 1053Cb -0.18 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1wb6 s ALA 1053CO -0.05 -0.93 1.70 -2.14 0.00 0.00 0.00 175.76 174.34 1wb6 s PRO 1054N 2.86 4.16 0.00 0.00 0.02 -1.26 -0.62 135.00 140.15 1wb6 s PRO 1054Ca 0.38 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1wb6 s PRO 1054Cb -0.15 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1wb6 s PRO 1054CO 0.08 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1wb6 n GLY 1055N 3.99 2.50 3.76 0.52 0.00 -1.26 -4.86 105.19 109.83 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 -2.91 3.36 0.53 4.61 0.00 -1.06 -4.61 121.76 121.68 1wb6 s ALA 1056Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1wb6 s ALA 1056Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1wb6 s ALA 1056CO 0.00 0.01 0.52 0.95 0.00 0.00 0.00 175.76 177.24 1wb6 s THR 1057N -1.20 2.02 -1.15 0.00 -4.23 -1.26 -1.09 115.64 108.74 1wb6 s THR 1057Ca 0.43 -1.31 -0.20 0.00 -1.18 0.00 0.00 61.69 59.44 1wb6 s THR 1057Cb -0.29 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.30 1wb6 s THR 1057CO 0.36 0.00 1.55 -2.28 -0.54 0.00 0.00 174.62 173.71 1wb6 s HIS 1058N -2.67 2.74 -0.24 3.99 2.46 -1.26 -4.77 115.29 115.54 1wb6 s HIS 1058Ca 0.45 -1.31 -0.17 0.00 0.47 0.00 0.00 55.06 54.50 1wb6 s HIS 1058Cb -0.04 -4.67 0.07 0.00 -0.13 0.00 0.00 32.58 27.81 1wb6 s HIS 1058CO 0.28 -1.82 0.61 -0.46 -2.47 0.00 0.00 174.74 170.88 1wb6 s TRP 1059N 4.27 -0.81 0.55 3.88 -0.00 -1.26 -5.03 118.94 120.54 1wb6 s TRP 1059Ca 0.48 1.76 0.27 0.00 -0.00 0.00 0.00 56.10 58.62 1wb6 s TRP 1059Cb 0.01 0.38 1.45 0.00 -0.00 0.00 0.00 33.47 35.32 1wb6 s TRP 1059CO -0.02 -0.40 1.96 -1.49 -0.00 0.00 0.00 176.95 177.01 1wb6 h TRP 1060N 6.17 0.00 -0.83 5.86 4.06 -1.91 -1.37 115.95 127.93 1wb6 h TRP 1060Ca -0.30 0.00 0.11 0.00 2.06 0.00 0.00 58.89 60.75 1wb6 h TRP 1060Cb 1.19 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.29 1wb6 h TRP 1060CO 0.24 0.00 0.54 0.78 -3.56 0.00 0.00 178.44 176.44 1wb6 h GLY 1061N 0.00 1.11 0.56 1.49 0.00 -1.94 -1.55 103.07 102.73 1wb6 h GLY 1061Ca 0.27 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 47.02 1wb6 h GLY 1061CO -0.00 0.16 -1.36 -0.97 0.00 0.00 0.00 176.54 174.36 1wb6 h TYR 1062N 0.74 0.45 -0.23 5.60 0.05 -1.58 -3.41 116.97 118.59 1wb6 h TYR 1062Ca 0.39 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1wb6 h TYR 1062Cb 0.51 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1wb6 h TYR 1062CO -0.00 1.53 0.06 0.28 -1.05 0.00 0.00 178.16 178.99 1wb6 h VAL 1063N -0.31 1.11 -0.63 -2.88 2.07 -1.02 -0.33 116.25 114.25 1wb6 h VAL 1063Ca -0.29 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1wb6 h VAL 1063Cb 1.75 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1wb6 h VAL 1063CO 0.06 0.13 0.42 0.08 0.02 0.00 0.00 177.57 178.29 1wb6 h ARG 1064N 0.32 0.47 0.00 1.57 0.11 -1.52 -0.33 114.38 115.00 1wb6 h ARG 1064Ca 0.08 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 60.04 1wb6 h ARG 1064Cb 0.11 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1wb6 h ARG 1064CO -0.01 0.31 -0.42 0.45 0.10 0.00 0.00 179.97 180.40 1wb6 h HIS 1065N 0.48 0.00 -0.67 4.08 3.86 -1.30 -2.14 115.15 119.47 1wb6 h HIS 1065Ca 0.29 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1wb6 h HIS 1065Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1wb6 h HIS 1065CO -0.00 0.42 0.23 1.88 0.86 0.00 0.00 177.93 181.32 1wb6 h TYR 1066N 0.00 1.03 -0.51 2.45 0.05 -1.01 -0.58 116.97 118.40 1wb6 h TYR 1066Ca -0.00 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.64 1wb6 h TYR 1066Cb 0.89 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1wb6 h TYR 1066CO 0.00 0.81 0.10 0.82 -1.05 0.00 0.00 178.16 178.84 1wb6 h ILE 1067N 0.98 1.25 -0.91 -2.88 2.04 -1.27 0.43 117.51 117.16 1wb6 h ILE 1067Ca 0.22 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.26 1wb6 h ILE 1067Cb 0.24 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1wb6 h ILE 1067CO -0.01 0.32 0.57 0.22 0.00 0.00 0.00 178.15 179.25 1wb6 h TYR 1068N 0.72 1.05 -0.04 1.37 3.20 -1.07 0.69 116.97 122.89 1wb6 h TYR 1068Ca 0.16 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.81 1wb6 h TYR 1068Cb 0.37 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1wb6 h TYR 1068CO 0.03 0.52 -0.96 -0.44 -1.64 0.00 0.00 178.16 175.67 1wb6 h ASP 1069N 1.02 0.85 0.15 -2.11 3.32 -0.76 -3.39 116.42 115.49 1wb6 h ASP 1069Ca 0.40 -0.65 -0.36 0.00 0.02 0.00 0.00 57.03 56.44 1wb6 h ASP 1069Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1wb6 h ASP 1069CO -0.18 1.45 -2.02 0.00 -1.72 0.00 0.00 179.24 176.76 1wb6 n ALA 1070N -2.62 0.99 -0.16 3.45 0.00 0.11 -4.37 120.51 117.92 1wb6 n ALA 1070Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 53.44 52.74 1wb6 n ALA 1070Cb 0.84 -0.64 0.34 0.00 0.00 0.00 0.00 19.45 19.99 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 0.06 0.68 -1.53 0.00 5.85 -1.05 -0.29 115.31 119.02 1wb6 h LEU 1071Ca -0.43 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1wb6 h LEU 1071Cb 2.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1wb6 h LEU 1071CO 0.07 0.46 0.00 -0.65 -0.34 0.00 0.00 178.44 177.98 1wb6 h PRO 1072N 0.78 0.00 -0.00 5.25 0.11 -1.76 -1.74 132.00 134.63 1wb6 h PRO 1072Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1wb6 h PRO 1072Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1wb6 h PRO 1072CO -0.08 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.17 1wb6 n TYR 1073N -2.34 0.00 -3.44 0.65 4.02 -0.12 -4.93 117.16 111.00 1wb6 n TYR 1073Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1wb6 n TYR 1073Cb 0.05 -0.32 -0.05 0.00 -0.02 0.00 0.00 39.34 39.00 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 -2.84 3.44 -0.36 -0.72 0.40 -0.66 -4.58 117.98 112.66 1wb6 s PHE 1074Ca 0.18 0.81 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1wb6 s PHE 1074Cb 0.19 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1wb6 s PHE 1074CO 0.57 0.28 0.00 1.19 0.70 0.00 0.00 175.22 177.96 1wb6 n PHE 1075N -0.18 -0.05 0.61 0.36 3.72 -1.26 -4.92 117.46 115.74 1wb6 n PHE 1075Ca -0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1wb6 n PHE 1075Cb 0.52 -1.17 -0.11 0.00 -0.94 0.00 0.00 39.48 37.79 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 -3.24 0.00 -2.93 1.38 8.25 -1.26 -4.59 115.22 112.83 1wb6 n HIS 1076Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1wb6 n HIS 1076Cb 0.25 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.75 4.33 -1.55 -0.41 0.41 -1.26 -2.98 118.70 114.49 1wb6 s GLU 1077Ca 0.03 0.98 -0.02 0.00 -0.41 0.00 0.00 54.97 55.56 1wb6 s GLU 1077Cb 0.12 -3.54 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1wb6 s GLU 1077CO 0.71 -0.23 0.22 1.28 -0.49 0.00 0.00 175.26 176.75 1wb6 n LEU 1078N 4.86 -2.15 -4.86 1.80 4.77 -1.26 -4.97 117.00 115.18 1wb6 n LEU 1078Ca 0.03 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 1wb6 n LEU 1078Cb 0.49 -2.74 0.04 0.00 -2.33 0.00 0.00 43.42 38.88 1wb6 n LEU 1078CO 0.48 -0.04 0.73 -1.83 -1.33 0.00 0.00 177.39 175.40 1wb6 s GLU 1079N -5.20 3.09 0.05 3.23 -1.05 -1.16 -4.98 118.70 112.67 1wb6 s GLU 1079Ca 0.11 0.65 0.23 0.00 -0.15 0.00 0.00 54.97 55.81 1wb6 s GLU 1079Cb -0.05 -2.03 0.14 0.00 -0.44 0.00 0.00 34.13 31.75 1wb6 s GLU 1079CO 0.13 -0.91 1.12 0.72 0.95 0.00 0.00 175.26 177.27 1wb6 n HIS 1080N -2.96 0.24 -2.76 4.83 8.25 -1.26 -4.86 115.22 116.70 1wb6 n HIS 1080Ca 0.07 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.30 1wb6 n HIS 1080Cb 0.55 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.15 3.50 -0.78 4.41 3.76 -1.26 -5.02 115.29 116.76 1wb6 s HIS 1081Ca 0.05 0.98 -0.18 0.00 -0.15 0.00 0.00 55.06 55.76 1wb6 s HIS 1081Cb 0.15 -2.40 0.13 0.00 1.11 0.00 0.00 32.58 31.57 1wb6 s HIS 1081CO 0.78 -0.17 0.91 -1.58 -0.85 0.00 0.00 174.74 173.83 1wb6 s HIS 1082N -2.50 3.16 0.12 1.40 2.46 -1.26 -5.01 115.29 113.65 1wb6 s HIS 1082Ca 0.50 -1.29 0.09 0.00 0.47 0.00 0.00 55.06 54.83 1wb6 s HIS 1082Cb -0.10 -4.11 -0.04 0.00 -0.13 0.00 0.00 32.58 28.19 1wb6 s HIS 1082CO 0.36 -1.35 -0.22 -1.01 -2.47 0.00 0.00 174.74 170.04 1wb6 s HIS 1083N 2.35 1.95 -0.28 3.88 4.02 -1.26 -5.12 115.29 120.83 1wb6 s HIS 1083Ca 0.22 -0.41 -0.03 0.00 1.02 0.00 0.00 55.06 55.87 1wb6 s HIS 1083Cb -0.13 -1.05 0.03 0.00 -1.02 0.00 0.00 32.58 30.41 1wb6 s HIS 1083CO -0.03 0.27 -0.01 -1.01 1.02 0.00 0.00 174.74 174.98 1wb6 s HIS 1084N -1.24 3.15 -0.31 1.40 3.76 -1.26 -5.16 115.29 115.63 1wb6 s HIS 1084Ca 0.10 -1.56 0.03 0.00 -0.15 0.00 0.00 55.06 53.47 1wb6 s HIS 1084Cb -0.10 -2.12 0.02 0.00 1.11 0.00 0.00 32.58 31.50 1wb6 s HIS 1084CO 0.05 -0.73 0.58 0.72 -0.85 0.00 0.00 174.74 174.51