#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdb s ALA 805 N 0.00 3.62 0.46 3.17 0.00 -1.26 -5.01 121.76 122.74 2wdb s ALA 805 Ca 0.00 1.42 0.06 0.00 0.00 0.00 0.00 51.96 53.44 2wdb s ALA 805 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2wdb s ALA 805 CO 0.00 -0.84 0.25 -1.54 0.00 0.00 0.00 175.76 173.63 2wdb s SER 806 N 0.16 4.53 0.68 0.00 1.04 -0.29 -5.03 113.70 114.77 2wdb s SER 806 Ca 0.57 -1.15 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 2wdb s SER 806 Cb -0.44 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.57 2wdb s SER 806 CO 0.50 -0.76 1.23 0.54 0.98 0.00 0.00 173.24 175.73 2wdb s ASN 807 N -4.04 4.54 0.65 7.02 2.20 -1.26 -4.47 114.94 119.58 2wdb s ASN 807 Ca 0.36 2.43 -0.09 0.00 -0.94 0.00 0.00 52.86 54.62 2wdb s ASN 807 Cb 0.01 -2.60 0.01 0.00 -2.00 0.00 0.00 41.25 36.67 2wdb s ASN 807 CO 0.21 -2.03 1.01 -2.16 -2.94 0.00 0.00 177.10 171.19 2wdb s PRO 808 N -3.64 2.93 0.01 3.55 0.04 -1.26 -4.19 135.00 132.44 2wdb s PRO 808 Ca 0.77 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 2wdb s PRO 808 Cb -0.32 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2wdb s PRO 808 CO 0.41 -0.87 0.29 -1.12 0.04 0.00 0.00 177.00 175.75 2wdb s SER 809 N -4.33 -0.14 -0.23 6.66 0.01 0.43 -4.97 113.70 111.15 2wdb s SER 809 Ca 0.56 -0.06 -0.26 0.00 1.31 0.00 0.00 55.95 57.50 2wdb s SER 809 Cb -0.11 0.32 -0.00 0.00 0.21 0.00 0.00 66.02 66.44 2wdb s SER 809 CO 0.49 -0.51 0.90 -0.22 0.41 0.00 0.00 173.24 174.32 2wdb s LEU 810 N -1.64 4.10 -0.13 2.44 2.96 -1.26 -0.16 118.68 124.99 2wdb s LEU 810 Ca -0.10 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 2wdb s LEU 810 Cb -0.04 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 2wdb s LEU 810 CO 0.01 -0.55 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.69 2wdb s ILE 811 N 2.85 2.65 0.25 6.68 -1.09 -0.50 -4.94 121.20 127.10 2wdb s ILE 811 Ca 0.39 -0.80 -0.10 0.00 -2.23 0.00 0.00 60.65 57.92 2wdb s ILE 811 Cb -0.15 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 38.62 2wdb s ILE 811 CO 0.08 0.53 0.42 0.00 -1.23 0.00 0.00 174.94 174.74 2wdb s ARG 812 N 0.52 1.54 0.29 2.79 1.04 -1.26 -0.99 118.95 122.88 2wdb s ARG 812 Ca -0.11 -1.38 -0.30 0.00 -1.04 0.00 0.00 55.73 52.90 2wdb s ARG 812 Cb -0.16 0.43 -0.11 0.00 -2.04 0.00 0.00 34.95 33.07 2wdb s ARG 812 CO 0.04 -0.62 1.60 -1.12 -0.04 0.00 0.00 175.30 175.16 2wdb s SER 813 N -3.07 6.36 0.21 -2.89 0.01 -0.81 -4.91 113.70 108.60 2wdb s SER 813 Ca 0.26 2.96 -0.09 0.00 1.31 0.00 0.00 55.95 60.39 2wdb s SER 813 Cb 0.01 -2.63 0.23 0.00 0.21 0.00 0.00 66.02 63.83 2wdb s SER 813 CO 0.11 -0.92 1.82 -0.08 0.41 0.00 0.00 173.24 174.58 2wdb h GLU 814 N 4.87 0.73 0.00 12.44 4.81 -2.01 -3.07 114.58 132.35 2wdb h GLU 814 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2wdb h GLU 814 Cb 1.22 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2wdb h GLU 814 CO 0.80 0.48 -0.03 -1.13 -0.73 0.00 0.00 179.01 178.39 2wdb n SER 815 N -4.74 0.54 -4.76 1.04 3.41 -1.26 -4.84 113.62 103.01 2wdb n SER 815 Ca 0.08 0.52 -0.39 0.00 -0.26 0.00 0.00 58.87 58.82 2wdb n SER 815 Cb 0.15 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 2wdb n SER 815 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2wdb s TRP 816 N -3.07 2.38 -0.04 7.33 0.51 -1.16 -4.67 118.94 120.21 2wdb s TRP 816 Ca 0.12 1.31 0.06 0.00 -2.12 0.00 0.00 56.10 55.46 2wdb s TRP 816 Cb 0.15 -3.88 -0.02 0.00 -0.81 0.00 0.00 33.47 28.91 2wdb s TRP 816 CO 0.58 -2.95 -0.22 -0.65 -0.51 0.00 0.00 176.95 173.21 2wdb s GLN 817 N -2.65 2.36 -0.34 4.98 -0.21 -0.63 -4.97 119.66 118.20 2wdb s GLN 817 Ca 0.66 -0.85 -0.29 0.00 0.02 0.00 0.00 55.36 54.90 2wdb s GLN 817 Cb -0.42 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.41 2wdb s GLN 817 CO 0.53 0.53 1.31 0.08 -2.12 0.00 0.00 175.29 175.62 2wdb s VAL 818 N -0.51 4.09 -0.23 1.09 1.01 -1.26 0.20 120.40 124.79 2wdb s VAL 818 Ca 0.07 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.32 2wdb s VAL 818 Cb -0.11 -4.21 -0.19 0.00 0.00 0.00 0.00 36.38 31.87 2wdb s VAL 818 CO 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 175.10 174.40 2wdb n TYR 819 N 7.93 0.00 -3.82 5.22 9.36 0.72 -4.89 117.16 131.68 2wdb n TYR 819 Ca 0.15 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.25 2wdb n TYR 819 Cb 0.47 -0.97 -0.12 0.00 -0.63 0.00 0.00 39.34 38.09 2wdb n TYR 819 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2wdb s GLU 820 N -2.49 0.24 1.64 2.98 2.12 -1.02 -4.98 118.70 117.19 2wdb s GLU 820 Ca -0.26 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2wdb s GLU 820 Cb 0.08 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.58 2wdb s GLU 820 CO 0.66 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 2wdb n GLY 821 N 2.76 -1.70 3.06 -1.50 0.00 -1.26 -0.80 105.19 105.74 2wdb n GLY 821 Ca -0.14 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 2wdb n GLY 821 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdb s ASN 822 N -4.00 1.05 0.55 1.61 0.02 -1.26 -4.93 114.94 107.98 2wdb s ASN 822 Ca 0.00 -0.37 0.22 0.00 -1.02 0.00 0.00 52.86 51.69 2wdb s ASN 822 Cb 0.00 -0.05 1.50 0.00 0.02 0.00 0.00 41.25 42.72 2wdb s ASN 822 CO 0.00 -0.04 2.18 -0.33 0.02 0.00 0.00 177.10 178.93 2wdb h GLU 823 N 5.15 0.00 0.00 -0.60 5.08 -1.92 -1.08 114.58 121.21 2wdb h GLU 823 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2wdb h GLU 823 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wdb h GLU 823 CO 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.46 2wdb h ALA 824 N 1.97 1.61 0.00 3.43 0.00 -1.97 -1.73 119.26 122.57 2wdb h ALA 824 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wdb h ALA 824 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wdb h ALA 824 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35 2wdb n ASN 825 N -3.97 0.00 -0.47 0.00 3.02 -0.41 -1.92 115.26 111.51 2wdb n ASN 825 Ca -0.03 0.44 0.13 0.00 -0.03 0.00 0.00 54.58 55.09 2wdb n ASN 825 Cb 0.08 -0.44 0.33 0.00 -0.61 0.00 0.00 39.78 39.14 2wdb n ASN 825 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wdb n LEU 826 N -1.44 1.63 -0.19 3.41 4.77 -0.65 -4.15 117.00 120.38 2wdb n LEU 826 Ca 0.00 -0.53 0.02 0.00 -0.03 0.00 0.00 56.01 55.47 2wdb n LEU 826 Cb 0.00 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2wdb n LEU 826 CO 0.00 0.29 0.36 0.18 -1.33 0.00 0.00 177.39 176.88 2wdb n LEU 827 N 0.03 0.80 -0.53 2.23 4.77 -0.81 -1.65 117.00 121.84 2wdb n LEU 827 Ca 0.14 -1.31 0.11 0.00 -0.03 0.00 0.00 56.01 54.92 2wdb n LEU 827 Cb 0.41 -0.09 0.40 0.00 -2.33 0.00 0.00 43.42 41.81 2wdb n LEU 827 CO 0.21 0.31 0.79 -0.90 -1.33 0.00 0.00 177.39 176.48 2wdb n ASP 828 N -0.38 1.61 0.00 -1.43 5.68 -1.21 -4.94 116.55 115.89 2wdb n ASP 828 Ca 0.03 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2wdb n ASP 828 Cb 0.56 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2wdb n ASP 828 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wdb n GLY 829 N 1.13 1.69 3.39 6.12 0.00 -1.26 -5.01 105.19 111.26 2wdb n GLY 829 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2wdb n GLY 829 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdb s ASP 830 N -3.29 5.49 0.58 1.61 3.68 -1.26 -4.97 116.67 118.50 2wdb s ASP 830 Ca 0.00 -0.72 0.28 0.00 2.13 0.00 0.00 52.55 54.23 2wdb s ASP 830 Cb 0.00 -1.97 1.53 0.00 -1.45 0.00 0.00 42.92 41.03 2wdb s ASP 830 CO 0.00 -0.25 2.00 0.44 0.13 0.00 0.00 175.17 177.49 2wdb h ASP 831 N 8.34 0.00 -0.49 -0.34 3.45 -1.94 -2.75 116.42 122.69 2wdb h ASP 831 Ca -0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.16 2wdb h ASP 831 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2wdb h ASP 831 CO 0.63 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.89 2wdb n ASN 832 N -3.89 3.03 -4.39 6.45 3.02 -1.26 -4.76 115.26 113.47 2wdb n ASN 832 Ca 0.06 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.32 2wdb n ASN 832 Cb 0.51 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 2wdb n ASN 832 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wdb s THR 833 N -1.35 2.65 0.00 3.41 -4.23 -1.04 -4.98 115.64 110.11 2wdb s THR 833 Ca 0.38 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2wdb s THR 833 Cb 0.21 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2wdb s THR 833 CO 0.28 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.55 2wdb n GLY 834 N 2.61 3.03 3.05 3.99 0.00 -1.26 -4.55 105.19 112.04 2wdb n GLY 834 Ca -0.17 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 2wdb n GLY 834 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdb s VAL 835 N -2.52 0.59 -0.27 1.61 0.11 -0.28 -4.22 120.40 115.43 2wdb s VAL 835 Ca 0.00 -0.83 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2wdb s VAL 835 Cb 0.00 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2wdb s VAL 835 CO 0.00 -0.19 0.02 0.86 -3.33 0.00 0.00 175.10 172.46 2wdb s TRP 836 N -0.96 3.09 -0.18 1.54 -0.11 0.02 -1.85 118.94 120.49 2wdb s TRP 836 Ca -0.05 -1.10 -0.14 0.00 1.22 0.00 0.00 56.10 56.03 2wdb s TRP 836 Cb -0.07 -2.17 -0.04 0.00 -1.50 0.00 0.00 33.47 29.68 2wdb s TRP 836 CO 0.00 -0.60 0.30 0.71 -4.62 0.00 0.00 176.95 172.75 2wdb s TYR 837 N 1.45 3.41 0.06 5.86 1.51 0.11 -0.20 117.35 129.55 2wdb s TYR 837 Ca 0.03 0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 56.33 2wdb s TYR 837 Cb -0.16 -2.38 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 2wdb s TYR 837 CO -0.00 0.14 1.10 0.21 -1.11 0.00 0.00 175.55 175.89 2wdb s LYS 838 N 0.80 4.51 0.02 -0.62 2.20 0.13 -1.54 119.74 125.23 2wdb s LYS 838 Ca 0.16 1.64 -0.01 0.00 -0.36 0.00 0.00 55.97 57.39 2wdb s LYS 838 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2wdb s LYS 838 CO 0.05 -0.13 0.17 0.95 -0.36 0.00 0.00 175.35 176.03 2wdb s THR 839 N 0.84 5.24 0.00 3.43 -4.23 -1.26 -1.60 115.64 118.06 2wdb s THR 839 Ca 0.55 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2wdb s THR 839 Cb -0.26 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2wdb s THR 839 CO 0.30 0.26 0.00 0.18 -0.54 0.00 0.00 174.62 174.82 2wdb n LEU 840 N 0.77 0.00 -4.01 4.79 4.77 -1.26 -3.76 117.00 118.30 2wdb n LEU 840 Ca -0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 2wdb n LEU 840 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2wdb n LEU 840 CO 0.45 0.00 -0.19 0.59 -1.33 0.00 0.00 177.39 176.91 2wdb n ASN 841 N 0.00 -1.01 -3.14 -1.43 3.02 -1.26 -1.14 115.26 110.30 2wdb n ASN 841 Ca 0.00 -1.00 -0.16 0.00 -0.03 0.00 0.00 54.58 53.39 2wdb n ASN 841 Cb 0.00 -3.00 0.08 0.00 -0.61 0.00 0.00 39.78 36.25 2wdb n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdb n GLY 842 N -1.88 -0.27 3.63 7.41 0.00 -1.26 -3.04 105.19 109.78 2wdb n GLY 842 Ca -0.23 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2wdb n GLY 842 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdb n ASP 843 N -2.82 -3.92 -4.04 1.61 10.43 -0.75 -5.01 116.55 112.04 2wdb n ASP 843 Ca -0.23 -0.66 -0.24 0.00 2.57 0.00 0.00 54.79 56.23 2wdb n ASP 843 Cb 0.64 -4.66 -0.16 0.00 1.84 0.00 0.00 41.12 38.78 2wdb n ASP 843 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2wdb s THR 844 N -3.39 1.15 -0.34 -3.53 2.01 -0.29 -2.91 115.64 108.33 2wdb s THR 844 Ca 0.33 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 2wdb s THR 844 Cb -0.16 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 2wdb s THR 844 CO 0.76 0.35 0.54 -0.55 -0.69 0.00 0.00 174.62 175.03 2wdb s SER 845 N 0.53 6.35 0.52 3.53 0.15 -0.44 -4.30 113.70 120.03 2wdb s SER 845 Ca -0.12 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 2wdb s SER 845 Cb -0.14 -2.28 -0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2wdb s SER 845 CO 0.03 -0.48 1.00 -0.76 1.20 0.00 0.00 173.24 174.23 2wdb s LEU 846 N 2.44 3.64 0.53 3.45 1.43 -1.26 -1.61 118.68 127.30 2wdb s LEU 846 Ca 0.20 1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.72 2wdb s LEU 846 Cb -0.15 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.49 2wdb s LEU 846 CO 0.13 -0.68 1.30 0.00 0.23 0.00 0.00 176.35 177.33 2wdb n ALA 847 N -1.55 1.37 0.00 4.21 0.00 -1.26 -2.40 120.51 120.89 2wdb n ALA 847 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wdb n ALA 847 Cb 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2wdb n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdb n GLY 848 N 0.83 3.44 3.76 0.00 0.00 -0.47 -4.98 105.19 107.76 2wdb n GLY 848 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2wdb n GLY 848 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdb s GLU 849 N -0.93 2.89 0.08 1.61 2.02 -1.01 -4.77 118.70 118.59 2wdb s GLU 849 Ca 0.00 1.66 -0.17 0.00 0.02 0.00 0.00 54.97 56.48 2wdb s GLU 849 Cb 0.00 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.33 2wdb s GLU 849 CO 0.00 -1.23 0.41 -0.59 0.02 0.00 0.00 175.26 173.87 2wdb s PHE 850 N -1.88 -0.24 -0.08 1.61 -0.71 -1.26 -0.16 117.98 115.26 2wdb s PHE 850 Ca 0.73 0.08 -0.09 0.00 -1.04 0.00 0.00 56.93 56.60 2wdb s PHE 850 Cb -0.26 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 2wdb s PHE 850 CO 0.35 -0.64 0.26 -1.50 -1.34 0.00 0.00 175.22 172.36 2wdb s ILE 851 N -3.10 0.01 -1.35 -4.49 2.07 -0.50 -1.92 121.20 111.92 2wdb s ILE 851 Ca -0.01 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2wdb s ILE 851 Cb 0.00 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.20 2wdb s ILE 851 CO -0.07 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 2wdb n GLY 852 N 2.70 -0.63 3.07 1.50 0.00 -0.16 -0.70 105.19 110.97 2wdb n GLY 852 Ca -0.14 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 2wdb n GLY 852 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdb s LEU 853 N 0.00 1.88 -0.37 0.99 1.43 0.21 -1.41 118.68 121.41 2wdb s LEU 853 Ca 0.00 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 2wdb s LEU 853 Cb 0.00 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.50 2wdb s LEU 853 CO 0.00 0.12 0.54 -0.62 0.23 0.00 0.00 176.35 176.62 2wdb s ASP 854 N 0.02 6.32 0.05 2.29 3.68 0.77 -2.14 116.67 127.66 2wdb s ASP 854 Ca -0.01 -0.13 0.25 0.00 2.13 0.00 0.00 52.55 54.79 2wdb s ASP 854 Cb -0.09 -2.28 1.02 0.00 -1.45 0.00 0.00 42.92 40.12 2wdb s ASP 854 CO 0.01 -0.56 1.79 0.18 0.13 0.00 0.00 175.17 176.72 2wdb n LEU 855 N 5.86 0.19 0.00 -1.34 4.77 0.88 -0.43 117.00 126.92 2wdb n LEU 855 Ca -0.04 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2wdb n LEU 855 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2wdb n LEU 855 CO 0.47 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wdb n GLY 856 N 1.06 2.80 3.76 -0.72 0.00 -1.26 -4.33 105.19 106.50 2wdb n GLY 856 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2wdb n GLY 856 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdb s LYS 857 N -0.35 1.39 -0.02 1.61 -2.85 -1.26 -1.14 119.74 117.11 2wdb s LYS 857 Ca 0.00 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 2wdb s LYS 857 Cb 0.00 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.22 2wdb s LYS 857 CO 0.00 -0.63 1.28 -1.21 0.10 0.00 0.00 175.35 174.89 2wdb s GLU 858 N -3.53 4.33 -0.01 1.78 2.02 -1.26 -4.14 118.70 117.89 2wdb s GLU 858 Ca 0.11 1.80 0.06 0.00 0.02 0.00 0.00 54.97 56.96 2wdb s GLU 858 Cb -0.03 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 2wdb s GLU 858 CO 0.02 -0.48 -0.18 0.42 0.02 0.00 0.00 175.26 175.06 2wdb s ILE 859 N 2.14 1.45 -0.55 -1.63 1.01 -0.22 -4.90 121.20 118.49 2wdb s ILE 859 Ca 0.59 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 2wdb s ILE 859 Cb -0.28 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.00 2wdb s ILE 859 CO 0.25 0.39 1.33 -0.54 0.00 0.00 0.00 174.94 176.36 2wdb s LYS 860 N -0.50 3.42 0.00 2.79 1.02 -1.26 -1.27 119.74 123.94 2wdb s LYS 860 Ca 0.07 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.29 2wdb s LYS 860 Cb -0.07 -4.07 -0.05 0.00 -0.52 0.00 0.00 37.83 33.12 2wdb s LYS 860 CO -0.00 -1.79 0.60 -0.51 -0.92 0.00 0.00 175.35 172.72 2wdb s LEU 861 N 5.56 4.42 -0.02 3.17 1.43 0.11 -4.55 118.68 128.80 2wdb s LEU 861 Ca 0.50 1.17 0.22 0.00 -1.03 0.00 0.00 54.13 54.98 2wdb s LEU 861 Cb -0.10 -2.93 -0.30 0.00 0.03 0.00 0.00 46.19 42.90 2wdb s LEU 861 CO 0.26 0.11 0.64 0.47 0.23 0.00 0.00 176.35 178.06 2wdb n ASP 862 N 2.68 0.40 0.00 2.29 9.92 0.39 -1.45 116.55 130.78 2wdb n ASP 862 Ca -0.07 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 2wdb n ASP 862 Cb 0.51 1.60 0.00 0.00 -0.64 0.00 0.00 41.12 42.59 2wdb n ASP 862 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wdb n GLY 863 N 1.36 -1.24 3.11 0.44 0.00 -1.08 -0.07 105.19 107.71 2wdb n GLY 863 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 2wdb n GLY 863 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wdb s ILE 864 N -2.11 0.33 -0.27 -0.61 -5.25 -0.71 -1.08 121.20 111.52 2wdb s ILE 864 Ca 0.00 -1.84 -0.03 0.00 -0.99 0.00 0.00 60.65 57.79 2wdb s ILE 864 Cb 0.00 -1.56 0.11 0.00 2.95 0.00 0.00 42.46 43.96 2wdb s ILE 864 CO 0.00 -0.96 0.21 -0.60 -1.79 0.00 0.00 174.94 171.79 2wdb s ARG 865 N -3.90 0.23 -0.16 0.37 3.52 -0.04 -1.66 118.95 117.31 2wdb s ARG 865 Ca 0.08 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2wdb s ARG 865 Cb 0.07 -1.02 -0.01 0.00 -1.56 0.00 0.00 34.95 32.44 2wdb s ARG 865 CO -0.09 -0.94 -0.12 -0.06 -0.81 0.00 0.00 175.30 173.28 2wdb s PHE 866 N 2.25 2.83 -0.38 5.12 0.08 -0.29 -0.53 117.98 127.05 2wdb s PHE 866 Ca 0.08 -0.89 -0.11 0.00 0.12 0.00 0.00 56.93 56.14 2wdb s PHE 866 Cb -0.15 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 2wdb s PHE 866 CO -0.29 -0.40 0.21 0.08 -0.10 0.00 0.00 175.22 174.72 2wdb s VAL 867 N 0.77 4.55 0.37 -0.44 1.01 0.24 -0.62 120.40 126.29 2wdb s VAL 867 Ca -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2wdb s VAL 867 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2wdb s VAL 867 CO 0.01 -0.25 0.56 0.27 0.00 0.00 0.00 175.10 175.69 2wdb s ILE 868 N 1.54 4.59 0.19 2.22 -4.36 -0.42 -0.53 121.20 124.43 2wdb s ILE 868 Ca 0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 2wdb s ILE 868 Cb -0.19 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 39.85 2wdb s ILE 868 CO 0.06 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 175.46 2wdb n GLY 869 N -1.83 -1.74 3.63 6.27 0.00 -0.09 -0.98 105.19 110.45 2wdb n GLY 869 Ca -0.02 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 2wdb n GLY 869 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdb s LYS 870 N -1.84 1.83 0.28 1.61 -2.85 -1.26 -3.01 119.74 114.50 2wdb s LYS 870 Ca 0.00 -1.43 0.03 0.00 -1.00 0.00 0.00 55.97 53.57 2wdb s LYS 870 Cb 0.00 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 2wdb s LYS 870 CO 0.00 -0.79 0.44 -0.80 0.10 0.00 0.00 175.35 174.30 2wdb s ASN 871 N -3.09 6.31 0.61 0.03 0.01 -1.26 -3.67 114.94 113.88 2wdb s ASN 871 Ca 0.23 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 2wdb s ASN 871 Cb -0.02 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2wdb s ASN 871 CO 0.13 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 2wdb n GLY 872 N -1.54 0.33 3.67 0.66 0.00 -1.26 -4.79 105.19 102.26 2wdb n GLY 872 Ca -0.07 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 2wdb n GLY 872 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdb n GLY 873 N 0.00 0.94 2.33 -0.02 0.00 -1.26 -2.16 105.19 105.01 2wdb n GLY 873 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 2wdb n GLY 873 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdb n GLY 874 N 2.76 0.94 0.23 -0.02 0.00 -1.26 -4.85 105.19 102.99 2wdb n GLY 874 Ca 0.14 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.89 2wdb n GLY 874 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wdb h SER 875 N 0.00 0.00 -0.07 1.61 4.64 -1.56 -1.48 113.55 116.69 2wdb h SER 875 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2wdb h SER 875 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2wdb h SER 875 CO 0.36 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.12 2wdb n SER 876 N -2.70 2.59 -4.08 4.97 7.64 -1.26 0.31 113.62 121.10 2wdb n SER 876 Ca -0.00 -1.85 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 2wdb n SER 876 Cb 0.18 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2wdb n SER 876 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wdb n ASP 877 N 1.01 4.79 -4.03 6.43 10.43 -0.56 -4.87 116.55 129.75 2wdb n ASP 877 Ca 0.16 -2.98 -0.12 0.00 2.57 0.00 0.00 54.79 54.42 2wdb n ASP 877 Cb 0.52 -1.59 -0.11 0.00 1.84 0.00 0.00 41.12 41.78 2wdb n ASP 877 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2wdb s LYS 878 N 1.96 0.46 0.45 -1.24 1.02 -1.26 -1.10 119.74 120.02 2wdb s LYS 878 Ca 0.44 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 2wdb s LYS 878 Cb 0.07 -0.18 -0.08 0.00 -0.52 0.00 0.00 37.83 37.12 2wdb s LYS 878 CO -0.01 0.02 1.40 -1.58 -0.92 0.00 0.00 175.35 174.27 2wdb s TRP 879 N -1.33 2.51 -0.08 3.18 0.51 -1.26 -4.97 118.94 117.51 2wdb s TRP 879 Ca -0.11 1.29 -0.27 0.00 -2.12 0.00 0.00 56.10 54.89 2wdb s TRP 879 Cb -0.10 -3.87 -0.23 0.00 -0.81 0.00 0.00 33.47 28.46 2wdb s TRP 879 CO -0.00 -2.78 1.02 -0.91 -0.51 0.00 0.00 176.95 173.77 2wdb h ASN 880 N 2.35 0.04 -3.47 2.95 -0.26 -1.88 -3.43 115.58 111.88 2wdb h ASN 880 Ca -0.51 -0.74 -0.60 0.00 -0.56 0.00 0.00 56.30 53.89 2wdb h ASN 880 Cb 1.26 -0.01 -0.33 0.00 -1.06 0.00 0.00 38.32 38.18 2wdb h ASN 880 CO 0.61 0.78 -0.85 -0.54 -1.06 0.00 0.00 177.43 176.37 2wdb s LYS 881 N -3.24 2.34 0.30 0.81 1.02 -1.26 0.70 119.74 120.41 2wdb s LYS 881 Ca -0.17 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 2wdb s LYS 881 Cb -0.00 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2wdb s LYS 881 CO 0.69 0.14 0.63 -0.59 -0.92 0.00 0.00 175.35 175.30 2wdb s PHE 882 N 0.41 0.16 0.03 3.18 -0.71 -0.52 -0.67 117.98 119.85 2wdb s PHE 882 Ca -0.15 -0.61 0.01 0.00 -1.04 0.00 0.00 56.93 55.14 2wdb s PHE 882 Cb -0.16 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.12 2wdb s PHE 882 CO 0.06 -1.22 -0.05 -1.59 -1.34 0.00 0.00 175.22 171.08 2wdb s LYS 883 N -3.56 0.39 -0.25 1.99 -2.85 -0.51 -0.04 119.74 114.90 2wdb s LYS 883 Ca 0.17 -0.66 -0.09 0.00 -1.00 0.00 0.00 55.97 54.39 2wdb s LYS 883 Cb -0.04 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 2wdb s LYS 883 CO 0.10 -0.01 0.14 -1.17 0.10 0.00 0.00 175.35 174.50 2wdb s LEU 884 N -1.48 3.84 0.05 2.77 2.96 0.15 -0.91 118.68 126.07 2wdb s LEU 884 Ca -0.13 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2wdb s LEU 884 Cb -0.10 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2wdb s LEU 884 CO -0.00 -0.00 -0.03 -1.83 -1.32 0.00 0.00 176.35 173.16 2wdb s GLU 885 N 1.45 0.59 0.20 1.98 -1.05 -0.55 -0.20 118.70 121.12 2wdb s GLU 885 Ca 0.06 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.75 2wdb s GLU 885 Cb -0.15 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.64 2wdb s GLU 885 CO 0.07 -0.09 0.07 1.52 0.95 0.00 0.00 175.26 177.77 2wdb s TYR 886 N -3.51 1.24 0.08 4.83 -0.85 -0.38 -1.44 117.35 117.32 2wdb s TYR 886 Ca 0.04 -1.18 -0.15 0.00 -0.52 0.00 0.00 57.07 55.26 2wdb s TYR 886 Cb 0.05 -0.69 0.03 0.00 0.38 0.00 0.00 41.96 41.72 2wdb s TYR 886 CO -0.08 -0.39 0.35 0.45 -1.52 0.00 0.00 175.55 174.36 2wdb s SER 887 N -3.19 -0.18 -0.15 -0.18 0.15 -0.26 -0.73 113.70 109.16 2wdb s SER 887 Ca 0.31 -0.24 0.14 0.00 0.70 0.00 0.00 55.95 56.86 2wdb s SER 887 Cb 0.07 0.42 -0.19 0.00 -1.71 0.00 0.00 66.02 64.61 2wdb s SER 887 CO 0.08 -0.73 0.06 -0.11 1.20 0.00 0.00 173.24 173.74 2wdb n LEU 888 N 0.18 0.00 0.00 3.45 7.94 -1.26 -1.45 117.00 125.86 2wdb n LEU 888 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 2wdb n LEU 888 Cb 0.61 0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.93 2wdb n LEU 888 CO 0.20 0.37 0.39 -0.90 -1.11 0.00 0.00 177.39 176.33 2wdb n ASP 889 N -2.55 1.42 -1.98 1.96 3.85 -1.26 -4.61 116.55 113.38 2wdb n ASP 889 Ca -0.24 -1.60 -0.18 0.00 -0.71 0.00 0.00 54.79 52.05 2wdb n ASP 889 Cb 0.99 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.71 2wdb n ASP 889 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2wdb n ASN 890 N -0.30 -5.11 0.08 -1.12 2.85 -1.26 -4.75 115.26 105.65 2wdb n ASN 890 Ca 0.00 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2wdb n ASN 890 Cb 0.23 -4.42 0.00 0.00 1.24 0.00 0.00 39.78 36.83 2wdb n ASN 890 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2wdb n GLU 891 N -2.59 0.00 -3.67 1.20 4.07 -1.26 -5.04 120.64 113.35 2wdb n GLU 891 Ca -0.20 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.54 2wdb n GLU 891 Cb 0.64 -0.28 -0.07 0.00 -0.06 0.00 0.00 31.44 31.66 2wdb n GLU 891 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2wdb s SER 892 N -5.51 6.33 0.10 4.31 0.01 -1.26 -5.09 113.70 112.59 2wdb s SER 892 Ca 0.00 0.38 0.09 0.00 1.31 0.00 0.00 55.95 57.73 2wdb s SER 892 Cb 0.00 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2wdb s SER 892 CO 0.00 0.18 -0.20 0.26 0.41 0.00 0.00 173.24 173.89 2wdb s TRP 893 N 0.20 2.49 -0.13 2.43 0.52 -1.26 -4.32 118.94 118.87 2wdb s TRP 893 Ca 0.12 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.96 2wdb s TRP 893 Cb -0.12 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2wdb s TRP 893 CO 0.01 0.33 -0.15 0.99 0.02 0.00 0.00 176.95 178.15 2wdb s THR 894 N -1.05 1.59 -0.01 2.01 2.01 0.09 -4.94 115.64 115.33 2wdb s THR 894 Ca 0.16 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2wdb s THR 894 Cb -0.10 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2wdb s THR 894 CO 0.08 0.46 1.34 -0.89 -0.69 0.00 0.00 174.62 174.92 2wdb s THR 895 N 1.20 3.85 -0.03 -0.82 2.01 -1.26 -1.24 115.64 119.34 2wdb s THR 895 Ca -0.01 1.22 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 2wdb s THR 895 Cb -0.14 -3.79 -0.32 0.00 0.01 0.00 0.00 72.50 68.26 2wdb s THR 895 CO -0.06 0.00 0.79 0.40 -0.69 0.00 0.00 174.62 175.06 2wdb h ILE 896 N 4.92 1.14 -1.57 1.82 2.04 -0.94 -3.49 117.51 121.42 2wdb h ILE 896 Ca -0.37 -2.56 0.07 0.00 1.00 0.00 0.00 64.86 63.00 2wdb h ILE 896 Cb 1.18 2.91 -0.24 0.00 -0.74 0.00 0.00 36.82 39.92 2wdb h ILE 896 CO 0.89 0.80 0.51 -0.75 0.00 0.00 0.00 178.15 179.61 2wdb s LYS 897 N -2.55 0.55 0.23 2.37 2.20 -1.11 -5.01 119.74 116.42 2wdb s LYS 897 Ca -0.14 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.87 2wdb s LYS 897 Cb 0.04 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2wdb s LYS 897 CO 0.87 -0.13 0.13 -1.21 -0.36 0.00 0.00 175.35 174.65 2wdb s GLU 898 N -0.56 2.75 0.00 4.03 2.02 -1.26 -0.67 118.70 125.01 2wdb s GLU 898 Ca 0.00 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.90 2wdb s GLU 898 Cb -0.02 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 2wdb s GLU 898 CO -0.02 0.41 -0.03 0.71 0.02 0.00 0.00 175.26 176.36 2wdb s TYR 899 N -2.07 0.24 -0.28 1.61 2.02 0.94 -4.97 117.35 114.83 2wdb s TYR 899 Ca 0.32 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 2wdb s TYR 899 Cb -0.08 -0.15 0.08 0.00 -0.40 0.00 0.00 41.96 41.40 2wdb s TYR 899 CO 0.23 -0.02 -0.03 0.34 -1.57 0.00 0.00 175.55 174.50 2wdb s ASP 900 N -0.20 4.40 -0.27 2.29 -1.08 -1.26 -1.44 116.67 119.11 2wdb s ASP 900 Ca -0.00 -1.62 0.10 0.00 -0.52 0.00 0.00 52.55 50.51 2wdb s ASP 900 Cb -0.02 -1.45 0.50 0.00 -1.46 0.00 0.00 42.92 40.49 2wdb s ASP 900 CO -0.00 -0.28 1.44 0.29 0.52 0.00 0.00 175.17 177.14 2wdb n LYS 901 N 4.45 1.98 -0.34 4.34 4.76 0.22 -4.76 118.16 128.81 2wdb n LYS 901 Ca -0.07 -3.12 0.19 0.00 -2.87 0.00 0.00 58.31 52.45 2wdb n LYS 901 Cb 0.42 -1.81 0.42 0.00 -1.84 0.00 0.00 35.03 32.23 2wdb n LYS 901 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2wdb h THR 902 N 1.09 0.54 -0.74 -0.18 2.02 -1.84 -1.40 112.91 112.39 2wdb h THR 902 Ca 0.18 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wdb h THR 902 Cb 1.59 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2wdb h THR 902 CO 0.34 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.94 2wdb n GLY 903 N -1.37 2.52 3.76 2.16 0.00 -1.26 -4.98 105.19 106.03 2wdb n GLY 903 Ca 0.26 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 2wdb n GLY 903 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdb s ALA 904 N -1.07 2.86 0.81 4.61 0.00 -0.53 -4.99 121.76 123.45 2wdb s ALA 904 Ca 0.50 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 2wdb s ALA 904 Cb 0.27 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.99 2wdb s ALA 904 CO 0.33 -1.03 1.15 -2.14 0.00 0.00 0.00 175.76 174.08 2wdb s PRO 905 N -2.85 1.77 0.64 0.00 0.02 -1.26 -4.99 135.00 128.33 2wdb s PRO 905 Ca 0.68 1.52 -0.18 0.00 0.02 0.00 0.00 61.00 63.05 2wdb s PRO 905 Cb -0.34 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 2wdb s PRO 905 CO 0.40 -2.07 1.26 0.00 -0.33 0.00 0.00 177.00 176.26 2wdb s ALA 906 N -2.47 2.40 0.00 -1.55 0.00 -1.26 -4.90 121.76 113.97 2wdb s ALA 906 Ca 0.68 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2wdb s ALA 906 Cb -0.23 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2wdb s ALA 906 CO 0.52 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2wdb n GLY 907 N 0.71 -0.93 3.59 0.00 0.00 0.15 -4.97 105.19 103.74 2wdb n GLY 907 Ca 0.15 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.49 2wdb n GLY 907 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdb n LYS 908 N -0.43 1.34 -3.72 1.61 5.02 -1.24 -4.50 118.16 116.25 2wdb n LYS 908 Ca 0.00 0.47 -0.26 0.00 -2.02 0.00 0.00 58.31 56.50 2wdb n LYS 908 Cb 0.00 -1.85 -0.17 0.00 -0.02 0.00 0.00 35.03 32.99 2wdb n LYS 908 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wdb s ASP 909 N -0.58 2.41 -0.50 4.39 3.68 -0.15 -4.98 116.67 120.94 2wdb s ASP 909 Ca 0.59 -0.57 -0.23 0.00 2.13 0.00 0.00 52.55 54.47 2wdb s ASP 909 Cb -0.69 -0.47 0.04 0.00 -1.45 0.00 0.00 42.92 40.35 2wdb s ASP 909 CO 0.60 -0.29 0.84 -0.69 0.13 0.00 0.00 175.17 175.76 2wdb s VAL 910 N 1.95 4.56 -0.60 1.11 1.01 -1.26 -1.30 120.40 125.87 2wdb s VAL 910 Ca 0.01 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 2wdb s VAL 910 Cb -0.16 -4.41 0.08 0.00 0.00 0.00 0.00 36.38 31.89 2wdb s VAL 910 CO -0.07 -0.90 0.81 -0.63 0.00 0.00 0.00 175.10 174.31 2wdb s ILE 911 N 3.50 4.61 -0.16 2.22 -1.09 0.21 -4.99 121.20 125.51 2wdb s ILE 911 Ca 0.29 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2wdb s ILE 911 Cb -0.13 -4.54 0.01 0.00 -1.58 0.00 0.00 42.46 36.21 2wdb s ILE 911 CO 0.20 -1.21 -0.18 -0.70 -1.23 0.00 0.00 174.94 171.82 2wdb s GLU 912 N 3.28 3.11 -0.02 2.79 2.12 -1.26 -1.14 118.70 127.58 2wdb s GLU 912 Ca 0.17 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.75 2wdb s GLU 912 Cb -0.20 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 2wdb s GLU 912 CO 0.09 -0.06 -0.15 -1.21 -0.54 0.00 0.00 175.26 173.39 2wdb s GLU 913 N 0.98 1.29 -0.19 4.30 0.41 -0.67 -5.00 118.70 119.82 2wdb s GLU 913 Ca -0.03 -0.52 -0.05 0.00 -0.41 0.00 0.00 54.97 53.97 2wdb s GLU 913 Cb -0.15 -1.21 -0.03 0.00 -1.78 0.00 0.00 34.13 30.97 2wdb s GLU 913 CO -0.04 0.28 -0.01 -1.12 -0.49 0.00 0.00 175.26 173.88 2wdb s SER 914 N -0.20 4.87 -0.51 -0.19 0.01 -1.26 -1.73 113.70 114.69 2wdb s SER 914 Ca 0.03 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.93 2wdb s SER 914 Cb -0.07 -1.82 0.06 0.00 0.21 0.00 0.00 66.02 64.40 2wdb s SER 914 CO 0.00 0.10 0.62 -0.36 0.41 0.00 0.00 173.24 174.01 2wdb s PHE 915 N 0.81 3.05 0.09 2.43 2.99 0.90 -4.95 117.98 123.30 2wdb s PHE 915 Ca 0.00 -0.58 -0.22 0.00 0.00 0.00 0.00 56.93 56.14 2wdb s PHE 915 Cb -0.14 -3.55 -0.12 0.00 0.00 0.00 0.00 43.02 39.21 2wdb s PHE 915 CO 0.02 -1.04 1.69 0.93 -0.00 0.00 0.00 175.22 176.82 2wdb h GLU 916 N 8.99 0.14 -5.74 0.44 4.39 -1.95 -3.30 114.58 117.56 2wdb h GLU 916 Ca -0.28 -0.02 -0.60 0.00 0.34 0.00 0.00 59.36 58.81 2wdb h GLU 916 Cb 1.10 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.62 2wdb h GLU 916 CO 0.97 0.17 0.39 0.99 -1.16 0.00 0.00 179.01 180.38 2wdb s THR 917 N -5.87 4.84 0.46 1.13 2.01 -1.26 -5.06 115.64 111.89 2wdb s THR 917 Ca -0.13 1.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.97 2wdb s THR 917 Cb 0.07 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 2wdb s THR 917 CO 0.68 -0.13 1.08 -2.65 -0.69 0.00 0.00 174.62 172.91 2wdb n PRO 918 N 6.05 1.43 -3.92 4.92 -0.02 -1.24 -4.98 135.00 137.24 2wdb n PRO 918 Ca 0.04 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 2wdb n PRO 918 Cb 0.48 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 2wdb n PRO 918 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wdb s ILE 919 N -1.30 4.02 -0.23 4.25 1.01 -0.53 -4.87 121.20 123.56 2wdb s ILE 919 Ca 0.65 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.77 2wdb s ILE 919 Cb -0.51 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2wdb s ILE 919 CO 0.55 0.39 0.86 -0.44 0.00 0.00 0.00 174.94 176.30 2wdb s SER 920 N 1.30 6.89 -0.13 3.58 0.01 -1.26 0.06 113.70 124.15 2wdb s SER 920 Ca 0.04 1.11 -0.16 0.00 1.31 0.00 0.00 55.95 58.25 2wdb s SER 920 Cb -0.15 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.67 2wdb s SER 920 CO 0.02 -0.51 0.43 0.00 0.41 0.00 0.00 173.24 173.59 2wdb s ALA 921 N 2.75 -1.08 -0.04 1.44 0.00 -0.40 -4.80 121.76 119.64 2wdb s ALA 921 Ca 0.37 1.10 0.19 0.00 0.00 0.00 0.00 51.96 53.62 2wdb s ALA 921 Cb -0.15 -0.55 -0.29 0.00 0.00 0.00 0.00 23.12 22.12 2wdb s ALA 921 CO 0.08 -0.23 0.39 1.17 0.00 0.00 0.00 175.76 177.18 2wdb n LYS 922 N 2.48 0.61 -4.24 0.00 4.81 -0.53 -1.06 118.16 120.23 2wdb n LYS 922 Ca -0.15 -0.16 -0.17 0.00 -0.87 0.00 0.00 58.31 56.96 2wdb n LYS 922 Cb 0.57 -1.45 -0.14 0.00 0.02 0.00 0.00 35.03 34.02 2wdb n LYS 922 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2wdb s TYR 923 N -3.26 0.62 -0.09 5.64 2.02 -0.86 -0.09 117.35 121.33 2wdb s TYR 923 Ca -0.07 -0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.43 2wdb s TYR 923 Cb 0.12 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.31 2wdb s TYR 923 CO 0.79 -0.01 0.22 -1.50 -1.57 0.00 0.00 175.55 173.48 2wdb s ILE 924 N -0.20 -0.01 0.20 2.71 2.07 -0.91 -1.10 121.20 123.95 2wdb s ILE 924 Ca 0.02 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.12 2wdb s ILE 924 Cb -0.03 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.27 2wdb s ILE 924 CO -0.00 0.02 0.56 0.00 -1.91 0.00 0.00 174.94 173.61 2wdb s ARG 925 N 0.47 1.42 -0.15 3.50 1.70 -0.52 -0.62 118.95 124.75 2wdb s ARG 925 Ca -0.03 -0.83 -0.06 0.00 -0.47 0.00 0.00 55.73 54.34 2wdb s ARG 925 Cb -0.04 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2wdb s ARG 925 CO -0.02 -0.61 0.07 -0.51 -1.08 0.00 0.00 175.30 173.14 2wdb s LEU 926 N -2.86 3.92 -0.09 -1.89 1.43 0.13 -1.48 118.68 117.84 2wdb s LEU 926 Ca 0.08 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2wdb s LEU 926 Cb -0.02 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2wdb s LEU 926 CO -0.03 0.28 -0.12 -0.89 0.23 0.00 0.00 176.35 175.82 2wdb s THR 927 N -0.25 1.22 0.36 5.49 2.01 -0.09 -1.40 115.64 122.98 2wdb s THR 927 Ca 0.08 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 2wdb s THR 927 Cb -0.12 -1.14 -0.11 0.00 0.01 0.00 0.00 72.50 71.14 2wdb s THR 927 CO 0.01 0.38 1.51 -3.20 -0.69 0.00 0.00 174.62 172.63 2wdb n ASN 928 N 4.20 3.78 -0.27 3.53 5.15 0.78 -1.42 115.26 131.01 2wdb n ASN 928 Ca -0.19 1.21 0.04 0.00 -0.60 0.00 0.00 54.58 55.04 2wdb n ASN 928 Cb 0.51 -1.61 0.01 0.00 -0.53 0.00 0.00 39.78 38.16 2wdb n ASN 928 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2wdb n MET 929 N 0.81 1.45 -3.71 1.20 2.81 0.15 -1.37 117.12 118.46 2wdb n MET 929 Ca 0.03 -0.75 -0.12 0.00 -1.81 0.00 0.00 57.70 55.05 2wdb n MET 929 Cb 0.38 -1.10 -0.12 0.00 -0.71 0.00 0.00 33.22 31.67 2wdb n MET 929 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2wdb s GLU 930 N -1.08 0.25 0.19 0.03 2.12 -1.24 -4.82 118.70 114.15 2wdb s GLU 930 Ca 0.09 0.65 -0.33 0.00 0.36 0.00 0.00 54.97 55.74 2wdb s GLU 930 Cb 0.07 -0.07 -0.13 0.00 0.26 0.00 0.00 34.13 34.26 2wdb s GLU 930 CO 0.18 -0.18 1.58 0.09 -0.54 0.00 0.00 175.26 176.39 2wdb n ASN 931 N 4.44 3.22 -3.77 -1.70 3.02 -1.26 -4.47 115.26 114.75 2wdb n ASN 931 Ca -0.22 1.09 -0.13 0.00 -0.03 0.00 0.00 54.58 55.29 2wdb n ASN 931 Cb 0.53 -1.46 -0.14 0.00 -0.61 0.00 0.00 39.78 38.10 2wdb n ASN 931 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2wdb s ILE 932 N 0.76 -0.04 -0.60 2.41 2.07 -0.63 -4.98 121.20 120.19 2wdb s ILE 932 Ca 0.76 0.14 -0.04 0.00 -1.41 0.00 0.00 60.65 60.10 2wdb s ILE 932 Cb -0.64 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 2wdb s ILE 932 CO 0.39 0.06 1.79 0.59 -1.91 0.00 0.00 174.94 175.86 2wdb n ASN 933 N 3.95 3.43 -3.86 4.50 3.02 -1.26 -1.33 115.26 123.71 2wdb n ASN 933 Ca -0.23 -2.20 -0.11 0.00 -0.03 0.00 0.00 54.58 52.00 2wdb n ASN 933 Cb 0.53 -0.90 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 2wdb n ASN 933 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wdb s LYS 934 N 3.72 0.41 0.76 3.52 1.02 -1.15 -4.94 119.74 123.09 2wdb s LYS 934 Ca 0.28 -0.23 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 2wdb s LYS 934 Cb 0.08 0.17 0.19 0.00 -0.52 0.00 0.00 37.83 37.75 2wdb s LYS 934 CO -0.02 -0.09 0.77 0.91 -0.92 0.00 0.00 175.35 175.99 2wdb n TRP 935 N 1.86 -3.71 -3.75 3.18 7.02 -1.26 -3.47 117.44 117.31 2wdb n TRP 935 Ca -0.20 -0.69 -0.15 0.00 -1.02 0.00 0.00 57.50 55.44 2wdb n TRP 935 Cb 0.56 -0.73 -0.16 0.00 -2.42 0.00 0.00 31.31 28.57 2wdb n TRP 935 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2wdb s LEU 936 N 0.00 0.89 0.03 -0.99 1.43 -0.59 -4.26 118.68 115.19 2wdb s LEU 936 Ca 0.48 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2wdb s LEU 936 Cb -0.04 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 2wdb s LEU 936 CO 0.36 -0.15 -0.03 0.42 0.23 0.00 0.00 176.35 177.19 2wdb s THR 937 N 1.20 3.93 0.05 5.49 -4.23 -0.26 0.05 115.64 121.87 2wdb s THR 937 Ca -0.08 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.61 2wdb s THR 937 Cb -0.13 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 2wdb s THR 937 CO -0.04 0.31 0.07 -0.36 -0.54 0.00 0.00 174.62 174.06 2wdb s PHE 938 N -1.12 0.30 0.00 3.99 0.40 -0.77 -0.92 117.98 119.87 2wdb s PHE 938 Ca 0.20 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2wdb s PHE 938 Cb -0.11 -0.21 0.00 0.00 0.51 0.00 0.00 43.02 43.20 2wdb s PHE 938 CO 0.11 -0.40 0.00 0.43 0.70 0.00 0.00 175.22 176.06 2wdb n SER 939 N 0.38 2.64 -3.64 1.36 7.64 0.31 -1.13 113.62 121.18 2wdb n SER 939 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 2wdb n SER 939 Cb 0.60 0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 64.04 2wdb n SER 939 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2wdb s GLU 940 N -1.45 0.37 -0.12 1.43 2.56 -1.11 -4.31 118.70 116.07 2wdb s GLU 940 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.48 2wdb s GLU 940 Cb 0.00 0.14 0.02 0.00 2.00 0.00 0.00 34.13 36.29 2wdb s GLU 940 CO 0.00 -0.06 -0.11 -0.06 -0.56 0.00 0.00 175.26 174.47 2wdb s PHE 941 N 0.63 1.79 0.03 5.30 0.08 -0.66 0.81 117.98 125.96 2wdb s PHE 941 Ca -0.01 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.13 2wdb s PHE 941 Cb -0.04 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2wdb s PHE 941 CO -0.11 -0.54 -0.03 0.00 -0.10 0.00 0.00 175.22 174.44 2wdb s ALA 942 N 1.42 0.22 0.30 5.36 0.00 0.31 -4.78 121.76 124.59 2wdb s ALA 942 Ca 0.01 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2wdb s ALA 942 Cb -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2wdb s ALA 942 CO -0.07 -0.18 0.10 0.96 0.00 0.00 0.00 175.76 176.58 2wdb s ILE 943 N -1.80 3.34 -0.14 0.00 -4.36 -1.26 -0.87 121.20 116.12 2wdb s ILE 943 Ca -0.12 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2wdb s ILE 943 Cb -0.08 -2.98 0.01 0.00 1.25 0.00 0.00 42.46 40.66 2wdb s ILE 943 CO -0.02 -0.27 -0.20 -0.69 0.24 0.00 0.00 174.94 174.00 2wdb s VAL 944 N -2.36 2.22 -0.20 8.37 1.01 -0.24 -4.88 120.40 124.32 2wdb s VAL 944 Ca 0.35 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2wdb s VAL 944 Cb -0.04 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.54 2wdb s VAL 944 CO 0.22 0.54 0.33 -0.55 0.00 0.00 0.00 175.10 175.64 2wdb s SER 945 N 0.77 0.39 0.22 3.32 0.15 -1.26 -0.46 113.70 116.83 2wdb s SER 945 Ca -0.08 0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2wdb s SER 945 Cb -0.16 0.93 0.20 0.00 -1.71 0.00 0.00 66.02 65.29 2wdb s SER 945 CO -0.01 -0.28 1.70 0.44 1.20 0.00 0.00 173.24 176.30 2wdb h ASP 946 N 8.23 0.91 -0.51 5.45 5.19 -1.90 -2.81 116.42 130.98 2wdb h ASP 946 Ca -0.17 -0.24 0.10 0.00 -0.62 0.00 0.00 57.03 56.10 2wdb h ASP 946 Cb 1.14 -0.24 -0.10 0.00 0.18 0.00 0.00 39.33 40.30 2wdb h ASP 946 CO 0.22 0.97 -0.21 -0.08 -3.12 0.00 0.00 179.24 177.02 2wdb h GLU 947 N 0.87 -0.09 0.00 3.56 4.81 -1.95 -1.60 114.58 120.18 2wdb h GLU 947 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2wdb h GLU 947 Cb 0.51 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2wdb h GLU 947 CO 0.02 -0.06 0.00 1.28 -0.73 0.00 0.00 179.01 179.53 2wdb n LEU 948 N -5.41 0.75 0.00 1.64 4.77 -1.14 -5.12 117.00 112.49 2wdb n LEU 948 Ca 0.04 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2wdb n LEU 948 Cb 0.31 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2wdb n LEU 948 CO 0.07 -0.45 0.00 -0.62 -1.33 0.00 0.00 177.39 175.06