#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvn s SER 805 N 0.00 6.43 0.05 6.55 0.01 -1.26 -5.07 113.70 120.42 1bvn s SER 805 Ca 0.00 0.51 -0.31 0.00 1.31 0.00 0.00 55.95 57.46 1bvn s SER 805 Cb 0.00 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 64.02 1bvn s SER 805 CO 0.00 0.22 1.36 -0.70 0.41 0.00 0.00 173.24 174.53 1bvn s GLU 806 N -0.13 4.32 0.90 12.44 2.12 -1.26 -4.86 118.70 132.23 1bvn s GLU 806 Ca 0.15 1.97 -0.12 0.00 0.36 0.00 0.00 54.97 57.33 1bvn s GLU 806 Cb -0.13 -3.41 0.07 0.00 0.26 0.00 0.00 34.13 30.91 1bvn s GLU 806 CO 0.04 -0.47 0.73 -0.35 -0.54 0.00 0.00 175.26 174.67 1bvn n PRO 807 N 4.60 -0.21 -2.68 4.30 -0.04 -1.26 0.11 135.00 139.82 1bvn n PRO 807 Ca 0.12 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1bvn n PRO 807 Cb 0.44 -2.08 0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1bvn n PRO 807 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bvn s ALA 808 N -2.38 3.82 0.26 0.55 0.00 -0.01 -3.90 121.76 120.11 1bvn s ALA 808 Ca 0.63 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1bvn s ALA 808 Cb -0.24 -2.13 -0.13 0.00 0.00 0.00 0.00 23.12 20.62 1bvn s ALA 808 CO 0.62 -0.71 1.30 -2.30 0.00 0.00 0.00 175.76 174.66 1bvn n PRO 809 N -2.33 1.87 0.14 0.00 -0.02 -1.26 -4.83 135.00 128.57 1bvn n PRO 809 Ca 0.07 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.39 1bvn n PRO 809 Cb 0.59 -2.24 0.78 0.00 -0.02 0.00 0.00 33.50 32.61 1bvn n PRO 809 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1bvn h SER 810 N 3.41 0.00 0.00 2.55 0.87 -1.99 0.14 113.55 118.52 1bvn h SER 810 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1bvn h SER 810 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1bvn h SER 810 CO 0.70 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.00 1bvn s VAL 812 N -2.00 3.77 -0.20 0.00 1.01 0.49 -0.99 120.40 122.49 1bvn s VAL 812 Ca 0.24 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1bvn s VAL 812 Cb 0.11 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1bvn s VAL 812 CO 0.18 0.22 0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1bvn s THR 813 N 1.50 5.31 -0.16 3.92 2.01 -0.66 -4.91 115.64 122.64 1bvn s THR 813 Ca 0.04 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1bvn s THR 813 Cb -0.16 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1bvn s THR 813 CO 0.01 0.45 0.25 -0.22 -0.69 0.00 0.00 174.62 174.41 1bvn s LEU 814 N 0.34 4.25 -0.05 4.42 2.96 -1.26 -0.84 118.68 128.49 1bvn s LEU 814 Ca 0.07 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1bvn s LEU 814 Cb -0.11 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.29 1bvn s LEU 814 CO -0.02 0.14 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.72 1bvn s TYR 815 N 0.32 1.41 -0.08 5.38 2.02 -0.77 -5.00 117.35 120.64 1bvn s TYR 815 Ca 0.15 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1bvn s TYR 815 Cb -0.13 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1bvn s TYR 815 CO 0.03 -0.23 0.01 -1.14 -1.57 0.00 0.00 175.55 172.65 1bvn s GLN 816 N 0.48 0.52 0.02 -0.62 0.74 -1.26 0.16 119.66 119.71 1bvn s GLN 816 Ca -0.11 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1bvn s GLN 816 Cb -0.14 -1.07 0.00 0.00 1.10 0.00 0.00 33.01 32.91 1bvn s GLN 816 CO 0.03 -0.35 0.03 -1.13 -0.55 0.00 0.00 175.29 173.32 1bvn n SER 817 N 5.16 0.08 0.25 6.67 3.41 0.41 -4.83 113.62 124.76 1bvn n SER 817 Ca -0.07 -1.06 0.10 0.00 -0.26 0.00 0.00 58.87 57.58 1bvn n SER 817 Cb 0.50 -0.02 0.64 0.00 -0.26 0.00 0.00 64.21 65.07 1bvn n SER 817 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1bvn h TRP 818 N -0.06 0.00 0.00 7.33 5.08 -1.96 -1.92 115.95 124.42 1bvn h TRP 818 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 1bvn h TRP 818 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 1bvn h TRP 818 CO 0.00 0.14 -0.66 2.89 -1.28 0.00 0.00 178.44 179.54 1bvn n ARG 819 N -3.93 2.63 -4.39 0.12 1.85 -1.26 -3.14 116.66 108.53 1bvn n ARG 819 Ca -0.02 -0.01 -0.19 0.00 -1.00 0.00 0.00 57.85 56.63 1bvn n ARG 819 Cb 0.23 -0.84 -0.10 0.00 -1.05 0.00 0.00 32.46 30.70 1bvn n ARG 819 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1bvn s TYR 820 N -1.69 1.76 -0.14 2.89 2.02 -1.25 -1.17 117.35 119.77 1bvn s TYR 820 Ca -0.00 -0.98 -0.03 0.00 -0.37 0.00 0.00 57.07 55.69 1bvn s TYR 820 Cb 0.01 -1.09 0.05 0.00 -0.40 0.00 0.00 41.96 40.53 1bvn s TYR 820 CO 0.04 -0.06 0.05 -1.12 -1.57 0.00 0.00 175.55 172.89 1bvn s SER 821 N -3.40 2.25 0.43 2.29 0.01 -0.15 -0.44 113.70 114.68 1bvn s SER 821 Ca 0.34 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1bvn s SER 821 Cb 0.07 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 1bvn s SER 821 CO 0.13 -0.29 0.17 -1.10 0.41 0.00 0.00 173.24 172.56 1bvn s GLN 822 N 2.00 2.20 -0.13 12.44 -0.21 0.42 0.31 119.66 136.69 1bvn s GLN 822 Ca 0.02 -1.91 -0.04 0.00 0.02 0.00 0.00 55.36 53.45 1bvn s GLN 822 Cb -0.15 -1.93 0.05 0.00 1.00 0.00 0.00 33.01 31.98 1bvn s GLN 822 CO -0.07 -0.15 0.08 0.00 -2.12 0.00 0.00 175.29 173.02 1bvn s ALA 823 N -2.64 0.41 -0.51 6.09 0.00 0.03 -1.84 121.76 123.30 1bvn s ALA 823 Ca 0.38 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1bvn s ALA 823 Cb 0.04 -0.91 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1bvn s ALA 823 CO 0.21 -0.95 0.60 0.34 0.00 0.00 0.00 175.76 175.96 1bvn s ASP 824 N 2.13 6.21 -0.48 0.00 -1.08 -0.02 -2.16 116.67 121.26 1bvn s ASP 824 Ca 0.03 -1.05 -0.26 0.00 -0.52 0.00 0.00 52.55 50.75 1bvn s ASP 824 Cb -0.15 -2.28 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 1bvn s ASP 824 CO -0.07 -0.89 0.99 0.21 0.52 0.00 0.00 175.17 175.93 1bvn s ASN 825 N 2.81 6.51 -0.64 -0.34 2.47 -0.05 -1.66 114.94 124.05 1bvn s ASN 825 Ca 0.13 0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.59 1bvn s ASN 825 Cb -0.21 -2.48 0.36 0.00 -1.45 0.00 0.00 41.25 37.48 1bvn s ASN 825 CO 0.10 -1.14 1.24 0.61 -3.72 0.00 0.00 177.10 174.19 1bvn n GLY 826 N 4.94 5.80 3.44 1.21 0.00 -0.16 0.10 105.19 120.53 1bvn n GLY 826 Ca 0.07 -2.72 -0.21 0.00 0.00 0.00 0.00 46.02 43.16 1bvn n GLY 826 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvn h ALA 828 N 2.24 -0.92 -6.03 0.00 0.00 -1.97 -3.43 119.26 109.15 1bvn h ALA 828 Ca -0.40 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 1bvn h ALA 828 Cb 1.24 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 1bvn h ALA 828 CO 0.68 -1.06 -0.22 -1.91 0.00 0.00 0.00 179.25 176.74 1bvn n GLU 829 N -5.18 0.66 -2.13 0.00 4.07 -1.26 -4.83 120.64 111.97 1bvn n GLU 829 Ca -0.07 -3.35 -0.34 0.00 -0.06 0.00 0.00 57.16 53.35 1bvn n GLU 829 Cb 0.36 0.21 0.01 0.00 -0.06 0.00 0.00 31.44 31.97 1bvn n GLU 829 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1bvn s THR 830 N -2.69 3.51 0.04 6.31 2.01 -1.26 -4.39 115.64 119.17 1bvn s THR 830 Ca 0.38 0.81 0.05 0.00 0.31 0.00 0.00 61.69 63.24 1bvn s THR 830 Cb -0.03 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1bvn s THR 830 CO 0.24 -0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.01 1bvn s VAL 831 N -2.16 1.12 -0.27 3.82 1.01 -0.36 -4.96 120.40 118.60 1bvn s VAL 831 Ca 0.67 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1bvn s VAL 831 Cb -0.19 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1bvn s VAL 831 CO 0.32 -0.01 -0.02 0.28 0.00 0.00 0.00 175.10 175.67 1bvn s THR 832 N -0.88 3.10 0.09 3.92 -1.32 -1.26 0.12 115.64 119.40 1bvn s THR 832 Ca 0.01 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1bvn s THR 832 Cb -0.08 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1bvn s THR 832 CO 0.01 0.11 -0.03 0.68 -2.21 0.00 0.00 174.62 173.19 1bvn s VAL 833 N 1.34 0.43 0.34 5.08 -7.23 0.94 -1.12 120.40 120.18 1bvn s VAL 833 Ca -0.01 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1bvn s VAL 833 Cb -0.17 -1.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 1bvn s VAL 833 CO -0.03 -0.83 0.07 -1.59 -0.31 0.00 0.00 175.10 172.41 1bvn s LYS 834 N -3.90 1.69 -0.23 4.82 -2.85 -0.07 -0.06 119.74 119.14 1bvn s LYS 834 Ca 0.13 -1.95 -0.06 0.00 -1.00 0.00 0.00 55.97 53.09 1bvn s LYS 834 Cb 0.07 -0.84 -0.02 0.00 -2.06 0.00 0.00 37.83 34.97 1bvn s LYS 834 CO -0.05 -0.22 0.02 0.08 0.10 0.00 0.00 175.35 175.27 1bvn s VAL 835 N -3.29 3.89 -0.10 1.79 1.01 -1.26 -1.66 120.40 120.79 1bvn s VAL 835 Ca 0.35 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 1bvn s VAL 835 Cb 0.08 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1bvn s VAL 835 CO 0.15 0.39 0.42 -0.69 0.00 0.00 0.00 175.10 175.37 1bvn s VAL 836 N 1.45 5.17 0.37 2.92 1.01 -0.53 -1.32 120.40 129.47 1bvn s VAL 836 Ca 0.05 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.95 1bvn s VAL 836 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1bvn s VAL 836 CO 0.01 0.40 0.42 -0.31 0.00 0.00 0.00 175.10 175.62 1bvn s TYR 837 N 0.19 2.90 -1.65 5.22 2.02 -0.35 -0.84 117.35 124.83 1bvn s TYR 837 Ca 0.23 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 1bvn s TYR 837 Cb -0.15 -2.06 0.36 0.00 -0.40 0.00 0.00 41.96 39.71 1bvn s TYR 837 CO 0.10 -0.07 0.99 -1.91 -1.57 0.00 0.00 175.55 173.09 1bvn n GLU 838 N -1.59 0.14 0.11 -0.62 2.13 0.85 -0.35 120.64 121.31 1bvn n GLU 838 Ca 0.02 0.14 -0.01 0.00 0.66 0.00 0.00 57.16 57.97 1bvn n GLU 838 Cb 0.60 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.78 1bvn n GLU 838 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1bvn h ASP 839 N 0.00 0.00 0.00 4.31 3.58 -1.80 -3.47 116.42 119.04 1bvn h ASP 839 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1bvn h ASP 839 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1bvn h ASP 839 CO 0.00 0.67 0.00 0.47 -2.88 0.00 0.00 179.24 177.50 1bvn n ASP 840 N -3.27 0.00 -4.95 2.28 9.92 0.52 -5.03 116.55 116.02 1bvn n ASP 840 Ca 0.01 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.05 1bvn n ASP 840 Cb 0.80 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.28 1bvn n ASP 840 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1bvn s THR 841 N -3.01 4.64 0.26 -3.53 -4.23 -1.26 -4.85 115.64 103.67 1bvn s THR 841 Ca 0.00 -0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1bvn s THR 841 Cb 0.00 -3.69 -0.06 0.00 1.34 0.00 0.00 72.50 70.10 1bvn s THR 841 CO 0.00 -0.43 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.01 1bvn s GLU 842 N -4.36 1.48 0.46 3.99 2.02 -1.26 -1.21 118.70 119.82 1bvn s GLU 842 Ca 0.43 -1.75 0.08 0.00 0.02 0.00 0.00 54.97 53.75 1bvn s GLU 842 Cb -0.10 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1bvn s GLU 842 CO 0.36 -0.02 0.56 0.20 0.02 0.00 0.00 175.26 176.37 1bvn s GLY 843 N -3.40 1.99 0.70 -1.39 0.00 -0.44 -4.94 107.32 99.84 1bvn s GLY 843 Ca 0.29 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.05 1bvn s GLY 843 CO 0.11 -1.63 1.00 -0.10 0.00 0.00 0.00 173.10 172.49 1bvn n LEU 844 N -1.85 3.81 -4.67 0.66 7.94 -1.26 -4.30 117.00 117.33 1bvn n LEU 844 Ca 0.08 0.70 -0.43 0.00 -1.11 0.00 0.00 56.01 55.25 1bvn n LEU 844 Cb 0.61 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 1bvn n LEU 844 CO 0.40 -1.91 0.89 0.00 -1.11 0.00 0.00 177.39 175.66 1bvn s TYR 846 N 2.82 2.89 -0.35 0.00 1.51 0.92 -4.88 117.35 120.25 1bvn s TYR 846 Ca 0.46 -0.16 -0.17 0.00 -1.01 0.00 0.00 57.07 56.19 1bvn s TYR 846 Cb -0.17 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1bvn s TYR 846 CO 0.11 0.16 0.45 0.00 -1.11 0.00 0.00 175.55 175.16 1bvn s ALA 847 N -0.43 3.48 -0.27 3.71 0.00 -1.26 -0.04 121.76 126.95 1bvn s ALA 847 Ca 0.06 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1bvn s ALA 847 Cb -0.12 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1bvn s ALA 847 CO 0.02 -1.18 -0.06 0.08 0.00 0.00 0.00 175.76 174.63 1bvn s VAL 848 N 2.24 2.74 0.85 0.00 1.01 0.32 -4.95 120.40 122.61 1bvn s VAL 848 Ca 0.16 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 1bvn s VAL 848 Cb -0.16 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.84 1bvn s VAL 848 CO 0.13 0.07 1.11 0.00 0.00 0.00 0.00 175.10 176.40 1bvn s ALA 849 N 1.25 1.79 0.44 5.51 0.00 -1.26 -1.23 121.76 128.26 1bvn s ALA 849 Ca -0.03 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1bvn s ALA 849 Cb -0.18 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1bvn s ALA 849 CO -0.04 -2.29 1.08 -2.30 0.00 0.00 0.00 175.76 172.21 1bvn n PRO 850 N -3.89 1.46 -0.79 0.00 -0.02 -1.26 -2.00 135.00 128.50 1bvn n PRO 850 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1bvn n PRO 850 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1bvn n PRO 850 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bvn n GLY 851 N 1.09 0.06 3.84 -1.23 0.00 0.29 -4.94 105.19 104.31 1bvn n GLY 851 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1bvn n GLY 851 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bvn s GLN 852 N -1.41 3.90 -0.22 1.61 -0.21 -0.85 -4.86 119.66 117.64 1bvn s GLN 852 Ca 0.00 0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.78 1bvn s GLN 852 Cb 0.00 -3.13 0.05 0.00 1.00 0.00 0.00 33.01 30.93 1bvn s GLN 852 CO 0.00 0.63 -0.10 0.96 -2.12 0.00 0.00 175.29 174.65 1bvn s ILE 853 N -1.21 1.78 0.18 1.08 -5.25 -1.26 -0.87 121.20 115.66 1bvn s ILE 853 Ca 0.28 -1.19 0.09 0.00 -0.99 0.00 0.00 60.65 58.84 1bvn s ILE 853 Cb -0.16 -1.88 -0.04 0.00 2.95 0.00 0.00 42.46 43.33 1bvn s ILE 853 CO 0.16 0.11 -0.18 -0.89 -1.79 0.00 0.00 174.94 172.34 1bvn s THR 854 N 1.32 1.91 0.12 8.37 2.01 -0.92 -4.92 115.64 123.53 1bvn s THR 854 Ca -0.03 -2.01 -0.30 0.00 0.31 0.00 0.00 61.69 59.66 1bvn s THR 854 Cb -0.17 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 1bvn s THR 854 CO -0.08 -0.34 0.98 -0.89 -0.69 0.00 0.00 174.62 173.60 1bvn s THR 855 N -2.18 4.41 0.00 -0.82 2.01 -1.26 -0.79 115.64 117.01 1bvn s THR 855 Ca 0.18 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.20 1bvn s THR 855 Cb -0.05 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1bvn s THR 855 CO 0.08 0.32 0.00 0.52 -0.69 0.00 0.00 174.62 174.84 1bvn n VAL 856 N 2.71 0.00 -3.19 3.82 0.31 0.15 -4.93 118.33 117.19 1bvn n VAL 856 Ca 0.02 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.22 1bvn n VAL 856 Cb 0.49 0.58 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 1bvn n VAL 856 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bvn n GLY 857 N 1.35 1.71 4.00 2.92 0.00 -0.61 -4.72 105.19 109.85 1bvn n GLY 857 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 1bvn n GLY 857 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bvn s ASP 858 N -1.24 4.95 1.08 1.61 1.47 -1.26 -0.98 116.67 122.30 1bvn s ASP 858 Ca 0.02 -0.43 -0.18 0.00 1.18 0.00 0.00 52.55 53.14 1bvn s ASP 858 Cb -0.00 -0.20 0.26 0.00 -0.34 0.00 0.00 42.92 42.63 1bvn s ASP 858 CO 0.01 -1.40 1.27 -0.83 0.68 0.00 0.00 175.17 174.90 1bvn s GLY 859 N -4.59 1.74 0.09 2.12 0.00 -0.32 -3.56 107.32 102.80 1bvn s GLY 859 Ca 0.61 -1.24 0.18 0.00 0.00 0.00 0.00 44.72 44.28 1bvn s GLY 859 CO 0.40 -0.37 1.57 1.58 0.00 0.00 0.00 173.10 176.28 1bvn n TYR 860 N -4.23 0.29 1.11 1.90 0.18 -0.72 -1.83 117.16 113.87 1bvn n TYR 860 Ca 0.16 0.11 0.12 0.00 1.88 0.00 0.00 57.90 60.18 1bvn n TYR 860 Cb 0.59 -0.68 0.21 0.00 -0.38 0.00 0.00 39.34 39.08 1bvn n TYR 860 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 1bvn n ILE 861 N -1.77 0.00 -1.22 -3.48 -5.35 -1.19 -4.42 119.36 101.94 1bvn n ILE 861 Ca 0.03 -0.11 -0.31 0.00 -0.27 0.00 0.00 62.75 62.09 1bvn n ILE 861 Cb 0.20 0.61 0.10 0.00 -1.74 0.00 0.00 39.64 38.81 1bvn n ILE 861 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bvn s GLY 862 N -2.67 1.67 0.63 3.28 0.00 -0.76 -4.91 107.32 104.57 1bvn s GLY 862 Ca 0.18 0.28 0.34 0.00 0.00 0.00 0.00 44.72 45.53 1bvn s GLY 862 CO 0.61 0.64 2.20 1.48 0.00 0.00 0.00 173.10 178.02 1bvn h SER 863 N -1.20 0.00 -0.11 1.64 4.64 -1.91 -1.55 113.55 115.07 1bvn h SER 863 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1bvn h SER 863 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1bvn h SER 863 CO 0.51 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.88 1bvn n HIS 864 N -3.43 0.14 -4.65 4.77 8.25 -1.26 -5.02 115.22 114.02 1bvn n HIS 864 Ca -0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1bvn n HIS 864 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1bvn n HIS 864 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bvn n GLY 865 N 1.00 0.72 3.75 -1.41 0.00 -0.59 -3.67 105.19 104.98 1bvn n GLY 865 Ca 0.15 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1bvn n GLY 865 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bvn s HIS 866 N 0.00 3.07 -0.42 1.61 3.76 -1.26 -4.34 115.29 117.70 1bvn s HIS 866 Ca 0.00 1.10 -0.29 0.00 -0.15 0.00 0.00 55.06 55.72 1bvn s HIS 866 Cb 0.00 -3.77 0.01 0.00 1.11 0.00 0.00 32.58 29.93 1bvn s HIS 866 CO 0.00 -2.44 1.44 0.00 -0.85 0.00 0.00 174.74 172.89 1bvn s ALA 867 N -0.09 3.01 0.05 -1.40 0.00 -1.26 -0.11 121.76 121.95 1bvn s ALA 867 Ca 0.58 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1bvn s ALA 867 Cb -0.41 -3.96 -0.15 0.00 0.00 0.00 0.00 23.12 18.60 1bvn s ALA 867 CO 0.43 -2.47 1.42 -0.09 0.00 0.00 0.00 175.76 175.05 1bvn h ARG 868 N 10.93 -0.90 -2.09 0.00 2.43 -1.22 -3.46 114.38 120.07 1bvn h ARG 868 Ca -0.28 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.20 1bvn h ARG 868 Cb 1.11 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 1bvn h ARG 868 CO 1.09 -0.60 0.69 1.52 -1.51 0.00 0.00 179.97 181.15 1bvn s TYR 869 N -5.17 -0.02 -0.33 2.20 1.13 -0.86 -5.01 117.35 109.29 1bvn s TYR 869 Ca -0.14 -0.22 -0.16 0.00 -1.41 0.00 0.00 57.07 55.13 1bvn s TYR 869 Cb 0.02 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.48 1bvn s TYR 869 CO 0.44 -0.60 0.43 -0.51 -2.51 0.00 0.00 175.55 172.81 1bvn s LEU 870 N -3.23 4.31 -0.00 -3.49 1.43 -1.26 -1.46 118.68 114.98 1bvn s LEU 870 Ca 0.18 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1bvn s LEU 870 Cb 0.00 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1bvn s LEU 870 CO 0.01 -0.37 0.04 0.00 0.23 0.00 0.00 176.35 176.26 1bvn s ALA 871 N 2.20 3.44 0.48 4.21 0.00 -0.66 -0.83 121.76 130.59 1bvn s ALA 871 Ca 0.16 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 1bvn s ALA 871 Cb -0.16 -1.46 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 1bvn s ALA 871 CO 0.12 0.67 1.00 -0.98 0.00 0.00 0.00 175.76 176.57 1bvn s ARG 872 N -1.64 3.92 -0.16 0.00 1.70 0.31 -0.89 118.95 122.18 1bvn s ARG 872 Ca 0.21 1.23 -0.07 0.00 -0.47 0.00 0.00 55.73 56.63 1bvn s ARG 872 Cb -0.12 -2.12 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 1bvn s ARG 872 CO 0.12 -0.31 0.07 0.00 -1.08 0.00 0.00 175.30 174.10