#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ten s LEU 803 N nan 4.24 0.16 0.00 1.43 -1.26 -5.02 118.68 nan 1ten s LEU 803 Ca nan 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 nan 1ten s LEU 803 Cb nan -3.94 -0.07 0.00 0.03 0.00 0.00 46.19 nan 1ten s LEU 803 CO nan -0.68 1.03 -0.62 0.23 0.00 0.00 176.35 nan 1ten s ASP 804 N -0.96 7.39 0.72 2.29 2.15 -1.26 -4.32 116.67 122.68 1ten s ASP 804 Ca 0.56 1.96 -0.11 0.00 0.43 0.00 0.00 52.55 55.39 1ten s ASP 804 Cb -0.33 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.71 1ten s ASP 804 CO 0.43 -0.13 1.07 0.00 -0.17 0.00 0.00 175.17 176.37 1ten s ALA 805 N -0.22 2.60 0.50 3.66 0.00 -1.26 -4.63 121.76 122.41 1ten s ALA 805 Ca 0.48 -0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1ten s ALA 805 Cb -0.27 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1ten s ALA 805 CO 0.33 -1.33 1.26 -2.14 0.00 0.00 0.00 175.76 173.88 1ten s PRO 806 N -5.10 3.46 0.38 0.00 0.02 -1.26 -4.63 135.00 127.87 1ten s PRO 806 Ca 0.59 2.00 0.08 0.00 0.02 0.00 0.00 61.00 63.69 1ten s PRO 806 Cb -0.14 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 32.01 1ten s PRO 806 CO 0.55 -0.86 0.23 0.45 -0.33 0.00 0.00 177.00 177.04 1ten s SER 807 N -1.15 4.76 -1.21 2.53 0.15 -1.00 -4.73 113.70 113.05 1ten s SER 807 Ca 0.67 -0.83 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 1ten s SER 807 Cb -0.34 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.36 1ten s SER 807 CO 0.41 -0.47 0.69 1.67 1.20 0.00 0.00 173.24 176.74 1ten n GLN 808 N -1.30 -0.64 -2.87 5.44 7.27 -1.26 -0.19 117.38 123.84 1ten n GLN 808 Ca -0.01 0.20 -0.41 0.00 0.07 0.00 0.00 57.00 56.85 1ten n GLN 808 Cb 0.62 -3.09 -0.04 0.00 2.41 0.00 0.00 30.24 30.14 1ten n GLN 808 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ten s ILE 809 N -3.55 4.93 0.00 1.69 1.01 -1.26 -4.14 121.20 119.88 1ten s ILE 809 Ca 0.46 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.87 1ten s ILE 809 Cb -0.23 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1ten s ILE 809 CO 0.94 0.16 -0.05 -1.61 0.00 0.00 0.00 174.94 174.38 1ten s GLU 810 N 1.23 0.37 -0.20 2.79 2.02 -0.73 -5.00 118.70 119.17 1ten s GLU 810 Ca 0.44 -0.23 -0.07 0.00 0.02 0.00 0.00 54.97 55.13 1ten s GLU 810 Cb -0.19 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 1ten s GLU 810 CO 0.21 0.09 0.05 0.08 0.02 0.00 0.00 175.26 175.70 1ten s VAL 811 N -0.27 4.47 0.27 2.63 1.01 -1.26 -1.12 120.40 126.12 1ten s VAL 811 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1ten s VAL 811 Cb -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1ten s VAL 811 CO -0.00 0.42 0.18 -0.54 0.00 0.00 0.00 175.10 175.16 1ten s LYS 812 N 0.82 1.48 -1.42 2.72 1.02 0.00 -4.92 119.74 119.44 1ten s LYS 812 Ca 0.03 -1.83 -0.06 0.00 0.02 0.00 0.00 55.97 54.13 1ten s LYS 812 Cb -0.14 0.18 0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1ten s LYS 812 CO 0.02 -0.48 0.80 -0.25 -0.92 0.00 0.00 175.35 174.52 1ten n ASP 813 N -0.84 -2.67 -4.72 2.83 8.00 -1.26 -1.14 116.55 116.75 1ten n ASP 813 Ca 0.03 -0.82 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 1ten n ASP 813 Cb 0.65 -3.89 -0.04 0.00 -0.02 0.00 0.00 41.12 37.82 1ten n ASP 813 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ten s VAL 814 N -3.53 4.84 0.44 2.53 1.01 -1.26 -4.24 120.40 120.20 1ten s VAL 814 Ca 0.29 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.03 1ten s VAL 814 Cb -0.15 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1ten s VAL 814 CO 0.83 0.26 0.04 0.35 0.00 0.00 0.00 175.10 176.59 1ten n THR 815 N 3.43 0.00 0.18 3.92 -2.24 -0.38 -4.98 114.28 114.21 1ten n THR 815 Ca 0.01 -2.24 0.15 0.00 -2.27 0.00 0.00 64.05 59.71 1ten n THR 815 Cb 0.51 0.56 0.75 0.00 -2.10 0.00 0.00 70.33 70.05 1ten n THR 815 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ten h ASP 816 N 1.26 0.00 0.00 3.42 5.19 -1.96 -3.23 116.42 121.11 1ten h ASP 816 Ca -0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1ten h ASP 816 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1ten h ASP 816 CO 0.59 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 177.06 1ten n THR 817 N -4.14 0.19 -4.21 0.35 -2.24 -1.26 -3.02 114.28 99.94 1ten n THR 817 Ca 0.02 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1ten n THR 817 Cb 0.30 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 1ten n THR 817 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ten s THR 818 N -0.19 0.41 -0.07 4.28 -4.23 -1.22 -1.20 115.64 113.42 1ten s THR 818 Ca 0.00 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 1ten s THR 818 Cb 0.00 -2.15 0.08 0.00 1.34 0.00 0.00 72.50 71.77 1ten s THR 818 CO 0.00 -0.41 0.74 0.00 -0.54 0.00 0.00 174.62 174.40 1ten s ALA 819 N -3.84 -1.80 -0.14 3.99 0.00 -0.76 -1.25 121.76 117.96 1ten s ALA 819 Ca 0.26 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1ten s ALA 819 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1ten s ALA 819 CO 0.04 -0.36 -0.14 -1.17 0.00 0.00 0.00 175.76 174.13 1ten s LEU 820 N -1.19 2.61 -0.14 0.00 2.96 -0.29 -0.88 118.68 121.75 1ten s LEU 820 Ca -0.09 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1ten s LEU 820 Cb -0.00 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1ten s LEU 820 CO 0.08 0.14 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.61 1ten s ILE 821 N 0.49 4.17 0.13 6.68 -1.09 -0.06 -0.82 121.20 130.70 1ten s ILE 821 Ca -0.10 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1ten s ILE 821 Cb -0.16 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1ten s ILE 821 CO 0.04 0.52 -0.11 0.42 -1.23 0.00 0.00 174.94 174.58 1ten s THR 822 N 0.02 1.14 0.34 2.92 -4.23 -0.28 -1.02 115.64 114.54 1ten s THR 822 Ca 0.02 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 1ten s THR 822 Cb -0.13 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.13 1ten s THR 822 CO 0.02 -0.60 0.75 -1.66 -0.54 0.00 0.00 174.62 172.59 1ten s TRP 823 N -2.75 0.03 -0.12 3.99 -2.14 -0.86 -1.77 118.94 115.32 1ten s TRP 823 Ca 0.11 -0.61 -0.05 0.00 2.66 0.00 0.00 56.10 58.21 1ten s TRP 823 Cb -0.01 0.75 -0.04 0.00 -3.10 0.00 0.00 33.47 31.08 1ten s TRP 823 CO 0.01 -1.43 0.05 -0.06 -2.66 0.00 0.00 176.95 172.86 1ten s PHE 824 N -2.97 3.28 0.33 1.66 0.40 0.73 -4.82 117.98 116.59 1ten s PHE 824 Ca 0.14 0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 56.40 1ten s PHE 824 Cb -0.05 -1.91 -0.12 0.00 0.51 0.00 0.00 43.02 41.44 1ten s PHE 824 CO 0.10 0.42 1.35 1.17 0.70 0.00 0.00 175.22 178.96 1ten n LYS 825 N 2.56 2.24 -1.56 0.44 4.81 -1.26 -2.36 118.16 123.04 1ten n LYS 825 Ca -0.18 0.79 -0.36 0.00 -0.87 0.00 0.00 58.31 57.69 1ten n LYS 825 Cb 0.53 -2.41 0.09 0.00 0.02 0.00 0.00 35.03 33.26 1ten n LYS 825 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1ten s PRO 826 N -1.69 2.28 0.10 1.64 0.02 -1.26 -4.72 135.00 131.36 1ten s PRO 826 Ca 0.57 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.33 1ten s PRO 826 Cb -0.56 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.04 1ten s PRO 826 CO 0.60 -1.78 1.69 -0.07 -0.33 0.00 0.00 177.00 177.12 1ten h LEU 827 N 0.10 0.18-10.02 -5.54 -0.00 -1.87 -3.44 115.31 94.72 1ten h LEU 827 Ca -0.49 -0.09 -0.50 0.00 -0.00 0.00 0.00 57.88 56.80 1ten h LEU 827 Cb 1.32 -0.05 0.06 0.00 -0.00 0.00 0.00 40.66 42.00 1ten h LEU 827 CO 0.51 0.21 0.46 0.00 -0.00 0.00 0.00 178.44 179.62 1ten s ALA 828 N -5.86 2.92 0.40 1.53 0.00 -1.26 -4.99 121.76 114.51 1ten s ALA 828 Ca -0.13 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1ten s ALA 828 Cb 0.07 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1ten s ALA 828 CO 0.69 -0.62 1.31 -2.00 0.00 0.00 0.00 175.76 175.14 1ten s GLU 829 N -2.83 3.97 0.06 0.00 -6.30 -1.26 -4.98 118.70 107.36 1ten s GLU 829 Ca 0.65 2.17 -0.06 0.00 -2.50 0.00 0.00 54.97 55.23 1ten s GLU 829 Cb -0.26 -2.76 -0.01 0.00 0.00 0.00 0.00 34.13 31.09 1ten s GLU 829 CO 0.31 -0.50 0.12 0.96 0.02 0.00 0.00 175.26 176.18 1ten s ILE 830 N -1.26 0.15 0.05 -3.70 -4.36 -1.26 -4.91 121.20 105.91 1ten s ILE 830 Ca 0.57 -1.20 -0.12 0.00 -0.26 0.00 0.00 60.65 59.63 1ten s ILE 830 Cb -0.38 -1.13 -0.31 0.00 1.25 0.00 0.00 42.46 41.88 1ten s ILE 830 CO 0.49 -0.66 1.08 0.44 0.24 0.00 0.00 174.94 176.53 1ten h ASP 831 N 3.27 0.72 -0.33 4.36 3.32 -1.27 -3.42 116.42 123.07 1ten h ASP 831 Ca -0.33 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 55.98 1ten h ASP 831 Cb 1.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1ten h ASP 831 CO 0.54 1.57 0.00 0.61 -1.72 0.00 0.00 179.24 180.24 1ten n GLY 832 N 1.55 1.11 3.04 2.75 0.00 -1.20 -2.42 105.19 110.02 1ten n GLY 832 Ca -0.13 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1ten n GLY 832 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ten s ILE 833 N -2.39 0.97 -0.21 -0.61 -1.09 -1.04 -0.77 121.20 116.06 1ten s ILE 833 Ca 0.00 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.90 1ten s ILE 833 Cb 0.00 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 1ten s ILE 833 CO 0.00 0.30 0.05 -1.61 -1.23 0.00 0.00 174.94 172.44 1ten s GLU 834 N 0.18 3.77 -0.19 2.79 2.02 -0.14 -0.41 118.70 126.72 1ten s GLU 834 Ca -0.04 -0.44 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 1ten s GLU 834 Cb -0.10 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1ten s GLU 834 CO 0.01 0.04 -0.04 -1.17 0.02 0.00 0.00 175.26 174.13 1ten s LEU 835 N 0.97 3.05 -0.08 1.80 0.20 -0.08 -1.74 118.68 122.80 1ten s LEU 835 Ca 0.03 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.61 1ten s LEU 835 Cb -0.14 -1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 1ten s LEU 835 CO 0.03 0.06 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.04 1ten s THR 836 N 1.00 2.34 0.07 3.68 2.01 0.26 -0.62 115.64 124.38 1ten s THR 836 Ca 0.01 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1ten s THR 836 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1ten s THR 836 CO 0.01 0.56 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.71 1ten s TYR 837 N 0.01 0.79 0.00 4.92 1.13 -0.39 -0.65 117.35 123.16 1ten s TYR 837 Ca -0.08 -0.74 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1ten s TYR 837 Cb -0.15 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 1ten s TYR 837 CO 0.05 -0.12 0.00 0.41 -2.51 0.00 0.00 175.55 173.38 1ten n GLY 838 N 0.60 -0.07 3.70 5.49 0.00 -0.89 -0.99 105.19 113.03 1ten n GLY 838 Ca -0.17 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1ten n GLY 838 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ten s ILE 839 N -2.00 2.96 0.19 -0.61 1.01 -1.25 -1.28 121.20 120.21 1ten s ILE 839 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 1ten s ILE 839 Cb 0.00 -3.34 0.16 0.00 0.01 0.00 0.00 42.46 39.29 1ten s ILE 839 CO 0.00 0.01 1.63 0.50 0.00 0.00 0.00 174.94 177.08 1ten h LYS 840 N 7.72 -0.06 -0.65 2.79 3.64 -1.58 -2.01 116.57 126.42 1ten h LYS 840 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1ten h LYS 840 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ten h LYS 840 CO 0.92 -0.04 0.00 -0.40 -2.27 0.00 0.00 179.45 177.66 1ten n ASP 841 N -5.40 4.31 -4.13 4.20 5.68 -1.26 -4.60 116.55 115.35 1ten n ASP 841 Ca 0.05 -2.55 -0.37 0.00 -0.50 0.00 0.00 54.79 51.42 1ten n ASP 841 Cb 0.31 -0.58 -0.10 0.00 -1.14 0.00 0.00 41.12 39.60 1ten n ASP 841 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ten s VAL 842 N -2.09 3.65 0.44 2.12 1.01 -0.76 -4.98 120.40 119.79 1ten s VAL 842 Ca 0.42 -2.37 0.19 0.00 0.00 0.00 0.00 61.98 60.22 1ten s VAL 842 Cb 0.29 -3.43 0.39 0.00 0.00 0.00 0.00 36.38 33.63 1ten s VAL 842 CO 0.16 -0.78 1.88 -0.65 0.00 0.00 0.00 175.10 175.71 1ten h PRO 843 N 7.72 0.33 -0.00 2.72 0.11 -1.82 -1.30 132.00 139.76 1ten h PRO 843 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ten h PRO 843 Cb 1.01 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ten h PRO 843 CO 0.73 0.22 -0.14 0.41 -0.21 0.00 0.00 178.00 179.01 1ten n GLY 844 N -1.55 -1.33 3.47 -0.55 0.00 -1.26 -4.56 105.19 99.41 1ten n GLY 844 Ca 0.17 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1ten n GLY 844 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ten s ASP 845 N -2.88 6.67 -0.16 1.61 2.15 -0.49 -4.95 116.67 118.61 1ten s ASP 845 Ca 0.17 -2.08 -0.04 0.00 0.43 0.00 0.00 52.55 51.03 1ten s ASP 845 Cb 0.19 -2.43 0.06 0.00 -0.30 0.00 0.00 42.92 40.44 1ten s ASP 845 CO 0.56 -1.09 0.07 -0.13 -0.17 0.00 0.00 175.17 174.41 1ten s ARG 846 N 2.91 0.22 -0.18 4.34 1.81 -1.26 -3.93 118.95 122.86 1ten s ARG 846 Ca 0.36 -0.13 -0.07 0.00 -1.72 0.00 0.00 55.73 54.17 1ten s ARG 846 Cb -0.04 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 1ten s ARG 846 CO -0.08 -0.63 0.06 0.99 -0.68 0.00 0.00 175.30 174.96 1ten s THR 847 N 2.06 4.76 -0.13 0.02 2.01 -0.16 -4.92 115.64 119.28 1ten s THR 847 Ca 0.02 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 1ten s THR 847 Cb -0.16 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1ten s THR 847 CO -0.08 0.46 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.35 1ten s THR 848 N 0.38 3.60 -0.09 -0.82 2.01 -1.26 -1.26 115.64 118.19 1ten s THR 848 Ca 0.03 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1ten s THR 848 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1ten s THR 848 CO 0.00 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.68 1ten s ILE 849 N 0.09 2.92 -0.32 1.82 -1.09 0.21 -4.95 121.20 119.87 1ten s ILE 849 Ca -0.02 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.55 1ten s ILE 849 Cb -0.14 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 1ten s ILE 849 CO 0.03 0.56 0.19 -1.81 -1.23 0.00 0.00 174.94 172.68 1ten s ASP 850 N -0.13 5.76 0.24 3.58 1.01 -1.26 -0.90 116.67 124.97 1ten s ASP 850 Ca -0.02 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.81 1ten s ASP 850 Cb -0.14 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1ten s ASP 850 CO 0.04 -0.20 0.41 -0.76 0.21 0.00 0.00 175.17 174.87 1ten s LEU 851 N 1.66 4.21 0.50 1.23 2.01 0.45 -4.97 118.68 123.77 1ten s LEU 851 Ca 0.05 0.29 -0.04 0.00 0.01 0.00 0.00 54.13 54.44 1ten s LEU 851 Cb -0.17 -3.09 -0.02 0.00 0.01 0.00 0.00 46.19 42.92 1ten s LEU 851 CO 0.08 -0.10 0.78 0.42 1.01 0.00 0.00 176.35 178.54 1ten s THR 852 N -2.00 4.45 0.64 5.49 -4.23 -1.26 -2.49 115.64 116.24 1ten s THR 852 Ca 0.37 -0.01 0.37 0.00 -1.18 0.00 0.00 61.69 61.24 1ten s THR 852 Cb -0.10 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.44 1ten s THR 852 CO 0.31 -0.65 2.23 1.05 -0.54 0.00 0.00 174.62 177.02 1ten h GLU 853 N 0.18 0.00 0.00 3.99 -0.00 -1.74 -2.15 114.58 114.86 1ten h GLU 853 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.79 1ten h GLU 853 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.96 1ten h GLU 853 CO 0.61 0.00 -0.50 0.38 -0.00 0.00 0.00 179.01 179.50 1ten h ASP 854 N 0.00 0.00 -3.52 3.06 2.03 -1.93 -3.46 116.42 112.60 1ten h ASP 854 Ca 0.01 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.79 1ten h ASP 854 Cb 0.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1ten h ASP 854 CO -0.00 0.50 0.43 -1.61 -1.03 0.00 0.00 179.24 177.53 1ten s GLU 855 N -3.16 4.62 0.00 4.15 2.02 -0.81 -4.95 118.70 120.57 1ten s GLU 855 Ca 0.02 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.62 1ten s GLU 855 Cb 0.09 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1ten s GLU 855 CO 0.73 0.09 0.70 0.27 0.02 0.00 0.00 175.26 177.07 1ten n ASN 856 N 2.77 1.22 -3.62 -0.19 6.94 -1.26 -4.92 115.26 116.19 1ten n ASN 856 Ca 0.03 -1.49 -0.11 0.00 -0.02 0.00 0.00 54.58 52.99 1ten n ASN 856 Cb 0.48 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.85 1ten n ASN 856 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ten s GLN 857 N -0.49 1.07 -0.17 -3.83 -2.07 -1.26 -2.02 119.66 110.88 1ten s GLN 857 Ca 0.00 -0.66 -0.10 0.00 -1.82 0.00 0.00 55.36 52.78 1ten s GLN 857 Cb 0.00 0.47 0.06 0.00 -1.09 0.00 0.00 33.01 32.45 1ten s GLN 857 CO 0.00 -0.42 0.42 -0.47 -1.32 0.00 0.00 175.29 173.50 1ten s TYR 858 N -3.68 -0.62 -0.22 9.60 5.04 -0.19 -4.98 117.35 122.31 1ten s TYR 858 Ca 0.02 1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 55.86 1ten s TYR 858 Cb 0.01 0.28 -0.05 0.00 0.35 0.00 0.00 41.96 42.55 1ten s TYR 858 CO -0.11 -0.35 0.14 0.45 -1.34 0.00 0.00 175.55 174.34 1ten s SER 859 N 1.40 6.13 -0.08 4.32 0.15 -1.26 -0.88 113.70 123.48 1ten s SER 859 Ca -0.09 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ten s SER 859 Cb -0.08 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1ten s SER 859 CO -0.13 0.11 -0.07 -0.63 1.20 0.00 0.00 173.24 173.73 1ten s ILE 860 N 0.76 3.72 0.34 6.45 1.01 -0.06 -5.00 121.20 128.43 1ten s ILE 860 Ca 0.08 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1ten s ILE 860 Cb -0.12 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1ten s ILE 860 CO 0.02 0.59 0.15 -0.83 0.00 0.00 0.00 174.94 174.87 1ten s GLY 861 N -0.71 2.28 -1.46 6.18 0.00 -1.26 -1.83 107.32 110.52 1ten s GLY 861 Ca 0.11 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 1ten s GLY 861 CO 0.02 -1.68 0.92 0.70 0.00 0.00 0.00 173.10 173.05 1ten n ASN 862 N -1.09 -6.28 -4.92 1.64 3.02 -0.88 -4.94 115.26 101.81 1ten n ASN 862 Ca -0.01 -0.43 -0.26 0.00 -0.03 0.00 0.00 54.58 53.85 1ten n ASN 862 Cb 0.65 -5.00 0.04 0.00 -0.61 0.00 0.00 39.78 34.86 1ten n ASN 862 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ten s LEU 863 N -7.03 3.16 -0.01 3.41 1.43 -0.34 -5.06 118.68 114.24 1ten s LEU 863 Ca 0.46 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.96 1ten s LEU 863 Cb -0.20 -3.42 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1ten s LEU 863 CO 0.57 -1.16 0.65 -0.54 0.23 0.00 0.00 176.35 176.09 1ten s LYS 864 N -5.02 4.38 0.64 1.70 -0.14 -1.26 -4.46 119.74 115.57 1ten s LYS 864 Ca 0.55 0.82 -0.17 0.00 -1.36 0.00 0.00 55.97 55.81 1ten s LYS 864 Cb -0.11 -3.37 -0.01 0.00 -1.68 0.00 0.00 37.83 32.66 1ten s LYS 864 CO 0.45 0.28 1.18 -2.14 -0.76 0.00 0.00 175.35 174.36 1ten s PRO 865 N 0.06 2.74 -1.45 -1.68 0.02 -1.17 -3.75 135.00 129.77 1ten s PRO 865 Ca 0.34 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 63.03 1ten s PRO 865 Cb -0.18 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.45 1ten s PRO 865 CO 0.18 -1.36 0.49 -3.47 -0.33 0.00 0.00 177.00 172.51 1ten n ASP 866 N -2.04 -0.90 -4.04 2.53 2.03 -1.18 -4.97 116.55 107.98 1ten n ASP 866 Ca 0.13 -1.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.24 1ten n ASP 866 Cb 0.50 -3.06 -0.15 0.00 -0.72 0.00 0.00 41.12 37.69 1ten n ASP 866 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ten s THR 867 N -3.84 0.88 -0.06 5.18 2.01 -1.25 -4.90 115.64 113.66 1ten s THR 867 Ca 0.13 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.41 1ten s THR 867 Cb -0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1ten s THR 867 CO 0.89 0.26 0.87 -0.70 -0.69 0.00 0.00 174.62 175.25 1ten s GLU 868 N -0.07 4.46 0.23 4.92 2.12 -1.26 -1.49 118.70 127.61 1ten s GLU 868 Ca 0.01 1.17 0.11 0.00 0.36 0.00 0.00 54.97 56.62 1ten s GLU 868 Cb -0.06 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1ten s GLU 868 CO 0.00 -0.09 -0.21 0.71 -0.54 0.00 0.00 175.26 175.13 1ten s TYR 869 N 1.25 2.19 0.03 5.30 1.51 0.14 -1.61 117.35 126.16 1ten s TYR 869 Ca 0.45 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1ten s TYR 869 Cb -0.19 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 1ten s TYR 869 CO 0.21 0.56 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.97 1ten s GLU 870 N -3.10 1.67 0.01 -0.62 2.12 -0.41 -1.67 118.70 116.70 1ten s GLU 870 Ca 0.24 -0.98 0.06 0.00 0.36 0.00 0.00 54.97 54.64 1ten s GLU 870 Cb -0.06 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 1ten s GLU 870 CO 0.11 0.46 -0.18 0.14 -0.54 0.00 0.00 175.26 175.26 1ten s VAL 871 N -0.74 1.39 -0.01 3.70 -7.23 -0.27 -2.10 120.40 115.14 1ten s VAL 871 Ca 0.10 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1ten s VAL 871 Cb -0.09 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1ten s VAL 871 CO 0.01 0.30 -0.07 -0.55 -0.31 0.00 0.00 175.10 174.48 1ten s SER 872 N -0.66 0.89 -0.02 4.85 0.15 0.18 -1.54 113.70 117.54 1ten s SER 872 Ca 0.06 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.62 1ten s SER 872 Cb -0.07 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1ten s SER 872 CO 0.00 0.06 -0.13 -0.76 1.20 0.00 0.00 173.24 173.61 1ten s LEU 873 N 0.05 1.97 -0.03 3.45 1.02 -0.38 -0.58 118.68 124.19 1ten s LEU 873 Ca -0.00 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 53.93 1ten s LEU 873 Cb -0.05 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.47 1ten s LEU 873 CO -0.00 0.14 -0.08 -0.63 0.02 0.00 0.00 176.35 175.80 1ten s ILE 874 N -0.18 0.72 0.25 -0.59 1.01 -0.71 -1.88 121.20 119.82 1ten s ILE 874 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 1ten s ILE 874 Cb -0.06 -0.65 -0.08 0.00 0.01 0.00 0.00 42.46 41.67 1ten s ILE 874 CO -0.00 0.23 0.71 -0.44 0.00 0.00 0.00 174.94 175.44 1ten s SER 875 N 0.24 6.93 0.04 3.58 0.01 -1.26 -0.96 113.70 122.28 1ten s SER 875 Ca -0.04 1.33 0.04 0.00 1.31 0.00 0.00 55.95 58.60 1ten s SER 875 Cb -0.09 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1ten s SER 875 CO 0.00 -0.04 -0.12 -0.13 0.41 0.00 0.00 173.24 173.36 1ten s ARG 876 N -2.33 0.76 -0.30 12.44 1.81 0.05 -0.99 118.95 130.40 1ten s ARG 876 Ca 0.46 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.78 1ten s ARG 876 Cb -0.14 -0.71 0.19 0.00 -0.45 0.00 0.00 34.95 33.84 1ten s ARG 876 CO 0.20 0.17 0.55 0.50 -0.68 0.00 0.00 175.30 176.04 1ten s ARG 877 N -1.27 0.54 7.73 3.54 3.52 -0.27 -0.65 118.95 132.09 1ten s ARG 877 Ca -0.02 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1ten s ARG 877 Cb -0.08 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1ten s ARG 877 CO 0.01 -1.06 0.00 0.41 -0.81 0.00 0.00 175.30 173.86 1ten n GLY 878 N 5.35 3.69 0.17 8.12 0.00 -1.26 -0.77 105.19 120.49 1ten n GLY 878 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1ten n GLY 878 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ten h ASP 879 N 0.00 0.00 -3.30 1.61 2.03 -2.03 -3.46 116.42 111.27 1ten h ASP 879 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 1ten h ASP 879 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1ten h ASP 879 CO 0.00 0.40 -0.13 -0.04 -1.03 0.00 0.00 179.24 178.44 1ten s MET 880 N -3.33 3.69 0.04 4.15 -1.94 0.05 -5.11 119.30 116.84 1ten s MET 880 Ca 0.02 0.10 -0.05 0.00 -1.71 0.00 0.00 55.69 54.05 1ten s MET 880 Cb 0.09 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1ten s MET 880 CO 0.70 0.25 0.08 -1.54 -0.01 0.00 0.00 175.02 174.50 1ten s SER 881 N -2.86 0.19 0.93 3.03 1.04 -1.26 -1.11 113.70 113.66 1ten s SER 881 Ca 0.45 -0.54 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 1ten s SER 881 Cb -0.11 0.21 0.16 0.00 0.10 0.00 0.00 66.02 66.39 1ten s SER 881 CO 0.27 -0.49 0.99 -1.54 0.98 0.00 0.00 173.24 173.45 1ten n SER 882 N 0.83 0.27 -4.81 7.02 3.41 -0.16 -4.29 113.62 115.90 1ten n SER 882 Ca -0.19 -1.48 -0.34 0.00 -0.26 0.00 0.00 58.87 56.60 1ten n SER 882 Cb 0.58 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1ten n SER 882 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ten s ASN 883 N -4.68 7.01 0.35 4.04 0.01 -1.26 -4.75 114.94 115.66 1ten s ASN 883 Ca 0.58 1.74 -0.26 0.00 -0.71 0.00 0.00 52.86 54.21 1ten s ASN 883 Cb -0.02 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 1ten s ASN 883 CO 0.40 -0.30 1.05 -2.16 -1.51 0.00 0.00 177.10 174.58 1ten s PRO 884 N -2.89 4.36 -0.14 -0.60 0.04 -1.26 -4.67 135.00 129.83 1ten s PRO 884 Ca 0.59 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 63.22 1ten s PRO 884 Cb -0.12 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 1ten s PRO 884 CO 0.16 0.01 -0.14 0.00 0.04 0.00 0.00 177.00 177.08 1ten s ALA 885 N -1.49 2.58 0.10 8.56 0.00 -0.79 -4.96 121.76 125.77 1ten s ALA 885 Ca 0.53 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.64 1ten s ALA 885 Cb -0.25 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1ten s ALA 885 CO 0.32 0.15 -0.25 0.15 0.00 0.00 0.00 175.76 176.13 1ten s LYS 886 N 0.51 1.38 0.03 0.00 1.02 -1.26 -1.25 119.74 120.17 1ten s LYS 886 Ca -0.09 -1.23 -0.05 0.00 0.02 0.00 0.00 55.97 54.61 1ten s LYS 886 Cb -0.16 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1ten s LYS 886 CO 0.04 0.42 0.09 -1.21 -0.92 0.00 0.00 175.35 173.77 1ten s GLU 887 N -1.83 0.54 0.22 1.68 2.02 -0.59 -5.01 118.70 115.74 1ten s GLU 887 Ca 0.11 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.52 1ten s GLU 887 Cb -0.10 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 1ten s GLU 887 CO 0.05 -0.13 -0.10 0.95 0.02 0.00 0.00 175.26 176.04 1ten s THR 888 N -2.30 3.05 0.20 3.63 -4.23 -1.26 -1.11 115.64 113.61 1ten s THR 888 Ca -0.08 -1.89 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 1ten s THR 888 Cb -0.03 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1ten s THR 888 CO -0.03 -0.23 0.49 0.72 -0.54 0.00 0.00 174.62 175.03 1ten s PHE 889 N -2.00 0.00 -0.01 3.99 -0.71 -0.67 -4.99 117.98 113.59 1ten s PHE 889 Ca 0.27 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 55.84 1ten s PHE 889 Cb -0.07 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.05 1ten s PHE 889 CO 0.16 -0.91 -0.11 -0.08 -1.34 0.00 0.00 175.22 172.93 1ten s THR 890 N -3.90 0.89 -2.57 -4.49 -1.32 -1.26 -0.69 115.64 102.29 1ten s THR 890 Ca 0.12 -0.47 0.27 0.00 -1.21 0.00 0.00 61.69 60.40 1ten s THR 890 Cb -0.01 -0.75 0.50 0.00 -1.51 0.00 0.00 72.50 70.74 1ten s THR 890 CO -0.01 0.25 1.68 0.35 -2.21 0.00 0.00 174.62 174.68