#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhm s ILE 821 N 0.00 1.39 0.49 3.15 -4.36 -1.26 -5.13 121.20 115.48 1rhm s ILE 821 Ca 0.00 -2.12 -0.23 0.00 -0.26 0.00 0.00 60.65 58.04 1rhm s ILE 821 Cb 0.00 -1.97 -0.07 0.00 1.25 0.00 0.00 42.46 41.67 1rhm s ILE 821 CO 0.00 -0.65 1.29 -2.84 0.24 0.00 0.00 174.94 172.98 1rhm s PRO 822 N -3.71 3.53 0.22 0.37 0.02 -1.26 -4.92 135.00 129.24 1rhm s PRO 822 Ca 0.20 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.26 1rhm s PRO 822 Cb 0.02 -2.42 0.20 0.00 0.02 0.00 0.00 34.50 32.32 1rhm s PRO 822 CO 0.04 -0.83 1.63 -0.39 -0.33 0.00 0.00 177.00 177.12 1rhm h VAL 823 N 1.82 1.27 0.00 3.83 -1.51 -2.04 -2.77 116.25 116.85 1rhm h VAL 823 Ca -0.50 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.61 1rhm h VAL 823 Cb 1.27 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1rhm h VAL 823 CO 0.59 0.45 0.00 -0.62 -1.23 0.00 0.00 177.57 176.76 1rhm n GLU 824 N -4.10 0.81 -2.36 5.19 -0.58 -1.26 -4.86 120.64 113.47 1rhm n GLU 824 Ca -0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1rhm n GLU 824 Cb 0.44 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 1rhm n GLU 824 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rhm s ALA 825 N -2.00 3.17 -0.15 0.62 0.00 -1.05 -4.16 121.76 118.20 1rhm s ALA 825 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1rhm s ALA 825 Cb 0.12 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1rhm s ALA 825 CO 0.20 -0.34 0.00 -0.25 0.00 0.00 0.00 175.76 175.38 1rhm n ASP 826 N -1.94 -3.21 -4.82 0.00 8.00 -0.16 -5.02 116.55 109.39 1rhm n ASP 826 Ca 0.05 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 1rhm n ASP 826 Cb 0.54 -0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 1rhm n ASP 826 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rhm s PHE 827 N -2.04 3.49 -0.13 1.24 0.08 -1.25 -4.82 117.98 114.55 1rhm s PHE 827 Ca 0.00 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.47 1rhm s PHE 827 Cb 0.00 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1rhm s PHE 827 CO 0.00 0.62 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.54 1rhm s LEU 828 N -0.80 1.19 -0.37 -0.37 2.96 -1.26 -1.08 118.68 118.94 1rhm s LEU 828 Ca 0.13 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1rhm s LEU 828 Cb -0.12 -0.73 0.06 0.00 0.50 0.00 0.00 46.19 45.90 1rhm s LEU 828 CO 0.03 -0.19 0.16 -0.31 -1.32 0.00 0.00 176.35 174.72 1rhm s TYR 829 N 1.77 3.33 -0.70 5.38 1.51 0.03 -5.01 117.35 123.65 1rhm s TYR 829 Ca 0.03 -1.61 -0.18 0.00 -1.01 0.00 0.00 57.07 54.30 1rhm s TYR 829 Cb -0.14 -2.61 0.13 0.00 -0.11 0.00 0.00 41.96 39.23 1rhm s TYR 829 CO -0.07 -0.80 0.79 0.00 -1.11 0.00 0.00 175.55 174.36 1rhm s ALA 830 N 1.37 3.55 0.35 3.71 0.00 -1.26 -1.12 121.76 128.36 1rhm s ALA 830 Ca 0.01 -2.57 -0.20 0.00 0.00 0.00 0.00 51.96 49.19 1rhm s ALA 830 Cb -0.21 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 1rhm s ALA 830 CO 0.01 -2.45 0.86 0.71 0.00 0.00 0.00 175.76 174.90 1rhm s TYR 831 N 2.12 3.46 -0.32 0.00 1.51 -0.51 -4.96 117.35 118.65 1rhm s TYR 831 Ca 0.17 1.51 0.27 0.00 -1.01 0.00 0.00 57.07 58.00 1rhm s TYR 831 Cb -0.18 -2.75 0.77 0.00 -0.11 0.00 0.00 41.96 39.70 1rhm s TYR 831 CO -0.00 0.08 1.76 0.66 -1.11 0.00 0.00 175.55 176.93 1rhm h SER 832 N 2.48 0.00 -5.16 2.29 4.64 -1.93 -1.48 113.55 114.40 1rhm h SER 832 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1rhm h SER 832 Cb 1.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 1rhm h SER 832 CO 0.64 0.00 -0.18 0.28 -0.87 0.00 0.00 176.83 176.70 1rhm s THR 833 N -3.34 0.06 0.76 2.95 -1.32 -1.26 -3.81 115.64 109.68 1rhm s THR 833 Ca 0.05 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.39 1rhm s THR 833 Cb 0.08 -1.58 0.05 0.00 -1.51 0.00 0.00 72.50 69.53 1rhm s THR 833 CO 0.60 -0.29 1.09 0.00 -2.21 0.00 0.00 174.62 173.80 1rhm s ALA 834 N -3.90 2.32 0.32 11.08 0.00 -0.71 -4.19 121.76 126.69 1rhm s ALA 834 Ca 0.11 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1rhm s ALA 834 Cb 0.02 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1rhm s ALA 834 CO -0.04 -1.68 1.38 -2.30 0.00 0.00 0.00 175.76 173.11 1rhm n PRO 835 N -3.46 2.26 0.00 0.00 -0.02 -1.26 -2.30 135.00 130.22 1rhm n PRO 835 Ca 0.09 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1rhm n PRO 835 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1rhm n PRO 835 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rhm n GLY 836 N 1.14 2.83 3.98 -1.23 0.00 -1.26 -5.01 105.19 105.65 1rhm n GLY 836 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1rhm n GLY 836 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rhm s TYR 837 N -2.65 2.99 0.70 1.61 1.51 -0.97 -5.11 117.35 115.42 1rhm s TYR 837 Ca 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1rhm s TYR 837 Cb 0.00 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.50 1rhm s TYR 837 CO 0.00 -0.42 1.09 -0.47 -1.11 0.00 0.00 175.55 174.64 1rhm s TYR 838 N -2.45 3.35 -0.07 2.71 5.04 -1.26 -4.87 117.35 119.79 1rhm s TYR 838 Ca 0.52 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 1rhm s TYR 838 Cb -0.10 -3.03 0.02 0.00 0.35 0.00 0.00 41.96 39.21 1rhm s TYR 838 CO 0.35 -1.14 -0.06 0.45 -1.34 0.00 0.00 175.55 173.81 1rhm s SER 839 N -4.32 1.60 0.05 4.32 0.15 -1.26 -4.84 113.70 109.40 1rhm s SER 839 Ca 0.58 -0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.79 1rhm s SER 839 Cb -0.11 -0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 63.51 1rhm s SER 839 CO 0.52 -0.09 0.71 0.26 1.20 0.00 0.00 173.24 175.85 1rhm s TRP 840 N 1.33 3.74 -0.03 3.44 0.52 -1.26 -5.07 118.94 121.62 1rhm s TRP 840 Ca -0.04 1.41 0.05 0.00 0.02 0.00 0.00 56.10 57.54 1rhm s TRP 840 Cb -0.14 -2.74 -0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1rhm s TRP 840 CO -0.03 0.33 -0.17 0.50 0.02 0.00 0.00 176.95 177.61 1rhm s ARG 841 N -0.26 1.57 -0.19 4.98 3.52 -1.26 -2.16 118.95 125.15 1rhm s ARG 841 Ca 0.36 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 55.26 1rhm s ARG 841 Cb -0.20 -1.44 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 1rhm s ARG 841 CO 0.22 0.31 0.09 1.21 -0.81 0.00 0.00 175.30 176.32 1rhm s ASN 842 N -0.20 5.88 0.52 -2.12 3.84 -0.64 -4.89 114.94 117.33 1rhm s ASN 842 Ca 0.02 0.15 0.25 0.00 0.21 0.00 0.00 52.86 53.49 1rhm s ASN 842 Cb -0.09 -2.02 1.37 0.00 -0.55 0.00 0.00 41.25 39.97 1rhm s ASN 842 CO 0.01 0.18 1.96 0.28 -2.79 0.00 0.00 177.10 176.74 1rhm h SER 843 N 6.67 0.05 0.00 -4.21 0.02 -2.01 -0.61 113.55 113.45 1rhm h SER 843 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1rhm h SER 843 Cb 1.16 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1rhm h SER 843 CO 0.73 0.02 -0.77 2.29 -1.14 0.00 0.00 176.83 177.97 1rhm n LYS 844 N -4.37 2.68 0.00 3.45 2.85 -1.26 -4.68 118.16 116.83 1rhm n LYS 844 Ca 0.12 -0.03 0.03 0.00 -1.05 0.00 0.00 58.31 57.39 1rhm n LYS 844 Cb 0.67 -0.96 -0.01 0.00 -0.65 0.00 0.00 35.03 34.08 1rhm n LYS 844 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1rhm n ASP 845 N -1.42 0.85 0.00 -5.58 8.00 -1.17 -5.12 116.55 112.10 1rhm n ASP 845 Ca 0.00 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1rhm n ASP 845 Cb 0.13 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1rhm n ASP 845 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rhm n GLY 846 N 0.87 -0.40 3.73 0.44 0.00 -0.25 -4.80 105.19 104.79 1rhm n GLY 846 Ca 0.03 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1rhm n GLY 846 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rhm s SER 847 N -1.57 4.42 0.12 1.61 1.04 -1.26 -1.62 113.70 116.43 1rhm s SER 847 Ca 0.00 2.40 -0.19 0.00 0.48 0.00 0.00 55.95 58.63 1rhm s SER 847 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 1rhm s SER 847 CO 0.00 -2.11 1.73 -0.50 0.98 0.00 0.00 173.24 173.34 1rhm h TRP 848 N 0.01 0.32 -0.36 5.02 6.55 -1.80 -2.55 115.95 123.15 1rhm h TRP 848 Ca -0.49 -0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.37 1rhm h TRP 848 Cb 1.30 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 29.47 1rhm h TRP 848 CO 0.46 0.26 0.20 0.35 -1.05 0.00 0.00 178.44 178.67 1rhm h PHE 849 N 0.29 0.38 -0.25 0.49 3.57 -1.89 -2.29 116.94 117.24 1rhm h PHE 849 Ca 0.09 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 1rhm h PHE 849 Cb 0.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1rhm h PHE 849 CO -0.04 0.22 -0.49 0.82 -2.23 0.00 0.00 178.31 176.59 1rhm h ILE 850 N 0.41 1.30 0.00 1.41 1.08 -1.94 0.11 117.51 119.89 1rhm h ILE 850 Ca 0.14 -1.69 -0.10 0.00 -0.39 0.00 0.00 64.86 62.82 1rhm h ILE 850 Cb 0.01 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1rhm h ILE 850 CO -0.07 0.54 -0.49 0.06 -0.69 0.00 0.00 178.15 177.49 1rhm h GLN 851 N 0.54 0.00 0.06 2.37 3.07 -1.41 -1.94 115.11 117.80 1rhm h GLN 851 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.56 1rhm h GLN 851 Cb 1.04 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.62 1rhm h GLN 851 CO 0.10 0.49 -0.85 0.77 0.09 0.00 0.00 178.83 179.44 1rhm h SER 852 N 0.00 0.64 -0.86 0.06 0.02 -1.29 -2.48 113.55 109.64 1rhm h SER 852 Ca -0.00 -0.82 0.02 0.00 -0.84 0.00 0.00 61.79 60.14 1rhm h SER 852 Cb 0.96 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 1rhm h SER 852 CO 0.06 1.39 0.56 0.25 -1.14 0.00 0.00 176.83 177.95 1rhm h LEU 853 N -0.03 0.96 -0.56 5.07 5.85 -0.66 -1.72 115.31 124.22 1rhm h LEU 853 Ca -0.12 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 1rhm h LEU 853 Cb 1.57 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1rhm h LEU 853 CO 0.16 0.69 -0.60 0.00 -0.34 0.00 0.00 178.44 178.35 1rhm h ALA 855 N 1.05 0.10 -0.79 0.00 0.00 -1.07 -1.78 119.26 116.79 1rhm h ALA 855 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rhm h ALA 855 Cb 1.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1rhm h ALA 855 CO 0.10 -0.22 0.48 0.52 0.00 0.00 0.00 179.25 180.14 1rhm h MET 856 N -0.15 1.06 -0.51 0.00 2.07 -1.36 -2.27 114.93 113.77 1rhm h MET 856 Ca 0.02 -0.09 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1rhm h MET 856 Cb 0.35 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 1rhm h MET 856 CO 0.00 0.74 0.30 -0.07 1.07 0.00 0.00 176.91 178.95 1rhm h LEU 857 N 1.07 0.62 -1.55 1.22 3.38 -1.36 0.25 115.31 118.94 1rhm h LEU 857 Ca 0.28 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1rhm h LEU 857 Cb -0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1rhm h LEU 857 CO -0.05 0.51 0.41 0.11 0.09 0.00 0.00 178.44 179.50 1rhm h LYS 858 N 0.68 0.51 0.02 1.13 1.57 -0.77 -1.40 116.57 118.31 1rhm h LYS 858 Ca 0.18 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.59 1rhm h LYS 858 Cb 0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1rhm h LYS 858 CO -0.03 0.34 -2.04 1.04 -0.57 0.00 0.00 179.45 178.18 1rhm n GLN 859 N -4.48 0.67 -0.03 3.15 6.02 -0.90 -4.65 117.38 117.16 1rhm n GLN 859 Ca 0.09 0.18 0.01 0.00 -0.01 0.00 0.00 57.00 57.27 1rhm n GLN 859 Cb 0.29 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 29.91 1rhm n GLN 859 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1rhm n TYR 860 N -3.02 0.08 0.27 1.08 4.01 0.82 -4.68 117.16 115.72 1rhm n TYR 860 Ca -0.27 -0.49 0.14 0.00 -0.16 0.00 0.00 57.90 57.11 1rhm n TYR 860 Cb 1.08 -0.05 0.73 0.00 -0.31 0.00 0.00 39.34 40.79 1rhm n TYR 860 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rhm h ALA 861 N 0.36 1.20 -0.46 -0.72 0.00 -1.40 -1.01 119.26 117.24 1rhm h ALA 861 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rhm h ALA 861 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rhm h ALA 861 CO 0.00 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1rhm n ASP 862 N -3.52 4.29 0.00 0.00 5.75 -1.26 -4.06 116.55 117.75 1rhm n ASP 862 Ca -0.01 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 1rhm n ASP 862 Cb 0.26 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1rhm n ASP 862 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rhm n LYS 863 N 0.42 0.00 -3.99 0.11 5.02 -0.95 -5.03 118.16 113.74 1rhm n LYS 863 Ca 0.22 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 1rhm n LYS 863 Cb 0.85 -0.32 -0.05 0.00 -0.02 0.00 0.00 35.03 35.49 1rhm n LYS 863 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rhm s LEU 864 N -4.47 4.10 0.57 -0.35 1.43 -0.43 -5.09 118.68 114.44 1rhm s LEU 864 Ca 0.00 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 1rhm s LEU 864 Cb 0.00 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1rhm s LEU 864 CO 0.00 0.14 1.11 -0.70 0.23 0.00 0.00 176.35 177.14 1rhm s GLU 865 N -2.63 3.26 0.29 1.70 -6.30 -1.26 -4.77 118.70 108.99 1rhm s GLU 865 Ca 0.32 1.51 0.03 0.00 -2.50 0.00 0.00 54.97 54.34 1rhm s GLU 865 Cb -0.12 -2.00 0.64 0.00 0.00 0.00 0.00 34.13 32.65 1rhm s GLU 865 CO 0.25 -0.91 1.81 0.35 0.02 0.00 0.00 175.26 176.78 1rhm h PHE 866 N 0.90 1.11 -0.27 5.30 3.57 -0.82 -1.90 116.94 124.84 1rhm h PHE 866 Ca -0.49 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 1rhm h PHE 866 Cb 1.25 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1rhm h PHE 866 CO 0.53 0.35 -0.11 0.52 -2.23 0.00 0.00 178.31 177.37 1rhm h MET 867 N 0.89 0.44 0.00 1.11 2.86 -1.92 -1.75 114.93 116.56 1rhm h MET 867 Ca 0.54 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.96 1rhm h MET 867 Cb 0.69 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1rhm h MET 867 CO -0.32 0.55 -0.50 0.45 1.06 0.00 0.00 176.91 178.15 1rhm h HIS 868 N 0.41 0.00 -0.23 -0.22 3.86 -1.73 -2.59 115.15 114.66 1rhm h HIS 868 Ca 0.08 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 1rhm h HIS 868 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1rhm h HIS 868 CO 0.01 0.50 -0.40 0.82 0.86 0.00 0.00 177.93 179.72 1rhm h ILE 869 N 0.00 1.31 0.00 2.45 2.04 -0.96 -2.54 117.51 119.81 1rhm h ILE 869 Ca -0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.24 1rhm h ILE 869 Cb 1.16 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1rhm h ILE 869 CO 0.06 0.51 0.00 -0.07 0.00 0.00 0.00 178.15 178.65 1rhm h LEU 870 N 0.38 0.00 -0.06 1.44 3.38 -1.26 -1.49 115.31 117.71 1rhm h LEU 870 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 1rhm h LEU 870 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1rhm h LEU 870 CO 0.09 0.00 -1.06 0.74 0.09 0.00 0.00 178.44 178.30 1rhm h THR 871 N 0.00 1.48 -0.33 0.22 2.02 -1.25 -1.03 112.91 114.03 1rhm h THR 871 Ca 0.00 -2.80 -0.08 0.00 0.77 0.00 0.00 66.41 64.30 1rhm h THR 871 Cb 0.42 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1rhm h THR 871 CO 0.00 0.82 -0.11 0.03 0.37 0.00 0.00 175.52 176.63 1rhm h ARG 872 N 0.12 0.66 -0.47 6.66 2.47 -0.97 -1.40 114.38 121.45 1rhm h ARG 872 Ca -0.09 -0.27 0.03 0.00 -1.26 0.00 0.00 59.98 58.39 1rhm h ARG 872 Cb 1.74 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 30.00 1rhm h ARG 872 CO 0.17 0.85 0.27 0.28 0.56 0.00 0.00 179.97 182.10 1rhm h VAL 873 N 0.44 1.02 -0.39 2.04 2.07 -1.26 -1.06 116.25 119.10 1rhm h VAL 873 Ca 0.08 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1rhm h VAL 873 Cb 0.63 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1rhm h VAL 873 CO 0.04 0.10 0.12 0.78 0.02 0.00 0.00 177.57 178.63 1rhm h ASN 874 N 0.53 0.12 -0.56 0.57 4.21 -0.87 -1.88 115.58 117.70 1rhm h ASN 874 Ca 0.20 0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.72 1rhm h ASN 874 Cb 0.05 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1rhm h ASN 874 CO -0.11 0.10 0.20 -0.09 -1.29 0.00 0.00 177.43 176.25 1rhm h ARG 875 N 0.27 0.85 -0.17 0.81 2.43 -0.83 -2.44 114.38 115.31 1rhm h ARG 875 Ca 0.18 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1rhm h ARG 875 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1rhm h ARG 875 CO -0.19 0.75 0.10 -0.22 -1.51 0.00 0.00 179.97 178.90 1rhm h LYS 876 N 0.77 0.21 -0.76 0.20 3.64 -0.94 0.09 116.57 119.79 1rhm h LYS 876 Ca 0.18 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1rhm h LYS 876 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1rhm h LYS 876 CO -0.01 0.14 0.28 0.28 -2.27 0.00 0.00 179.45 177.87 1rhm h VAL 877 N 0.21 1.26 0.00 2.00 2.07 -1.32 -0.74 116.25 119.73 1rhm h VAL 877 Ca 0.06 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 1rhm h VAL 877 Cb -0.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1rhm h VAL 877 CO -0.02 0.33 -0.53 0.00 0.02 0.00 0.00 177.57 177.37 1rhm h ALA 878 N 1.20 0.78 0.02 1.67 0.00 -1.22 -3.30 119.26 118.41 1rhm h ALA 878 Ca 0.25 -0.48 -0.33 0.00 0.00 0.00 0.00 54.91 54.35 1rhm h ALA 878 Cb 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1rhm h ALA 878 CO -0.02 0.66 -1.84 2.41 0.00 0.00 0.00 179.25 180.47 1rhm n THR 879 N -3.41 1.56 -0.89 0.00 -1.04 -0.00 -4.62 114.28 105.89 1rhm n THR 879 Ca 0.01 -0.26 0.02 0.00 -2.04 0.00 0.00 64.05 61.78 1rhm n THR 879 Cb 0.66 -1.91 0.36 0.00 -1.82 0.00 0.00 70.33 67.63 1rhm n THR 879 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rhm n GLU 879 N -4.17 4.41 -3.89 -2.82 1.02 -0.30 -4.95 120.64 109.94 1rhm n GLU 879 Ca -0.40 -3.04 -0.14 0.00 -0.02 0.00 0.00 57.16 53.56 1rhm n GLU 879 Cb 0.82 -2.23 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 1rhm n GLU 879 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1rhm s PHE 880 N -2.79 0.11 -0.16 -0.32 0.08 -1.24 -5.02 117.98 108.64 1rhm s PHE 880 Ca 0.53 0.02 -0.21 0.00 0.12 0.00 0.00 56.93 57.39 1rhm s PHE 880 Cb 0.41 -0.16 0.05 0.00 -0.57 0.00 0.00 43.02 42.76 1rhm s PHE 880 CO 0.15 -0.04 0.56 -2.00 -0.10 0.00 0.00 175.22 173.79 1rhm s GLU 881 N 0.41 0.75 0.15 0.44 2.12 -1.26 -4.66 118.70 116.64 1rhm s GLU 881 Ca -0.04 0.57 -0.24 0.00 0.36 0.00 0.00 54.97 55.63 1rhm s GLU 881 Cb -0.06 0.36 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1rhm s GLU 881 CO -0.01 -0.14 0.73 -1.54 -0.54 0.00 0.00 175.26 173.75 1rhm s SER 881 N -0.19 7.29 -0.13 -1.70 1.04 -0.91 -4.90 113.70 114.21 1rhm s SER 881 Ca -0.04 1.54 0.03 0.00 0.48 0.00 0.00 55.95 57.96 1rhm s SER 881 Cb -0.03 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1rhm s SER 881 CO 0.03 0.21 -0.22 0.12 0.98 0.00 0.00 173.24 174.37 1rhm s PHE 881 N -1.17 2.66 -0.03 5.02 5.36 -1.26 0.79 117.98 129.34 1rhm s PHE 881 Ca 0.35 -1.23 -0.18 0.00 -0.96 0.00 0.00 56.93 54.90 1rhm s PHE 881 Cb -0.22 -1.80 0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1rhm s PHE 881 CO 0.24 -0.55 0.40 0.45 -1.46 0.00 0.00 175.22 174.30 1rhm s SER 881 N 0.69 -0.31 0.33 6.13 0.15 -1.26 -4.93 113.70 114.50 1rhm s SER 881 Ca -0.10 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.09 1rhm s SER 881 Cb -0.16 0.40 0.90 0.00 -1.71 0.00 0.00 66.02 65.45 1rhm s SER 881 CO 0.01 -0.46 1.77 -0.26 1.20 0.00 0.00 173.24 175.50 1rhm h PHE 881 N 3.81 0.00 -3.63 3.44 0.04 -2.00 -3.41 116.94 115.19 1rhm h PHE 881 Ca -0.29 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.84 1rhm h PHE 881 Cb 1.17 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.17 1rhm h PHE 881 CO 0.49 0.00 -0.11 0.34 -0.60 0.00 0.00 178.31 178.43 1rhm s ASP 881 N -4.96 6.31 0.47 2.17 -1.08 -1.26 -4.95 116.67 113.37 1rhm s ASP 881 Ca 0.06 0.09 0.23 0.00 -0.52 0.00 0.00 52.55 52.41 1rhm s ASP 881 Cb 0.09 -2.25 1.25 0.00 -1.46 0.00 0.00 42.92 40.55 1rhm s ASP 881 CO 0.53 -0.38 1.88 0.00 0.52 0.00 0.00 175.17 177.73 1rhm h ALA 881 N 8.34 2.45 -0.89 3.66 0.00 -1.95 -1.94 119.26 128.93 1rhm h ALA 881 Ca -0.29 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1rhm h ALA 881 Cb 1.14 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1rhm h ALA 881 CO 0.73 -0.71 0.54 1.15 0.00 0.00 0.00 179.25 180.97 1rhm h THR 881 N 0.23 1.00 -0.51 0.00 2.02 -1.94 -2.69 112.91 111.01 1rhm h THR 881 Ca 0.43 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1rhm h THR 881 Cb 1.33 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1rhm h THR 881 CO -0.10 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.45 1rhm n PHE 881 N -4.64 0.73 -3.34 3.16 3.72 -0.77 -5.00 117.46 111.32 1rhm n PHE 881 Ca 0.14 -0.51 -0.36 0.00 -0.05 0.00 0.00 57.45 56.66 1rhm n PHE 881 Cb 0.23 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.67 1rhm n PHE 881 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1rhm s HIS 881 N -1.09 3.65 -1.30 1.38 2.46 -0.98 -4.36 115.29 115.07 1rhm s HIS 881 Ca 0.35 1.11 -0.00 0.00 0.47 0.00 0.00 55.06 56.99 1rhm s HIS 881 Cb 0.19 -2.40 -0.00 0.00 -0.13 0.00 0.00 32.58 30.24 1rhm s HIS 881 CO 0.23 0.47 0.72 0.00 -2.47 0.00 0.00 174.74 173.68 1rhm n ALA 882 N 1.02 -2.03 -2.84 1.58 0.00 0.24 -4.96 120.51 113.52 1rhm n ALA 882 Ca -0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1rhm n ALA 882 Cb 0.52 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1rhm n ALA 882 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rhm s LYS 883 N -5.92 3.08 0.37 0.00 -0.14 -1.25 -4.83 119.74 111.06 1rhm s LYS 883 Ca 0.01 -0.67 0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1rhm s LYS 883 Cb -0.00 -2.80 -0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1rhm s LYS 883 CO 0.81 0.55 0.06 0.15 -0.76 0.00 0.00 175.35 176.16 1rhm s LYS 884 N -2.73 2.10 -0.03 1.68 -0.14 -1.26 -2.14 119.74 117.22 1rhm s LYS 884 Ca 0.32 -1.84 -0.08 0.00 -1.36 0.00 0.00 55.97 53.01 1rhm s LYS 884 Cb -0.12 -1.90 0.01 0.00 -1.68 0.00 0.00 37.83 34.15 1rhm s LYS 884 CO 0.25 0.02 0.18 -1.14 -0.76 0.00 0.00 175.35 173.90 1rhm s GLN 885 N -3.77 0.38 -0.06 1.68 0.74 -1.26 -5.03 119.66 112.34 1rhm s GLN 885 Ca 0.37 -0.09 -0.00 0.00 0.05 0.00 0.00 55.36 55.68 1rhm s GLN 885 Cb 0.03 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.33 1rhm s GLN 885 CO 0.20 -0.08 -0.02 -1.50 -0.55 0.00 0.00 175.29 173.34 1rhm s ILE 886 N -0.73 0.44 1.05 -2.34 1.10 -1.26 -3.58 121.20 115.88 1rhm s ILE 886 Ca -0.08 0.02 -0.13 0.00 -0.51 0.00 0.00 60.65 59.96 1rhm s ILE 886 Cb -0.05 -0.54 0.22 0.00 0.15 0.00 0.00 42.46 42.24 1rhm s ILE 886 CO 0.01 0.24 1.07 -2.84 -2.11 0.00 0.00 174.94 171.32 1rhm s PRO 887 N 1.54 0.01 -0.24 3.50 0.02 -1.25 -1.74 135.00 136.84 1rhm s PRO 887 Ca -0.01 0.60 -0.04 0.00 0.02 0.00 0.00 61.00 61.57 1rhm s PRO 887 Cb -0.13 -1.68 0.08 0.00 0.02 0.00 0.00 34.50 32.79 1rhm s PRO 887 CO -0.03 -3.04 0.11 0.00 -0.33 0.00 0.00 177.00 173.71 1rhm s ILE 889 N 2.08 4.66 -0.44 0.00 1.01 -1.26 -1.43 121.20 125.83 1rhm s ILE 889 Ca 0.06 1.73 -0.01 0.00 0.00 0.00 0.00 60.65 62.43 1rhm s ILE 889 Cb -0.16 -4.29 0.12 0.00 0.01 0.00 0.00 42.46 38.14 1rhm s ILE 889 CO -0.24 -0.27 0.21 -0.69 0.00 0.00 0.00 174.94 173.94 1rhm s VAL 890 N 3.26 3.09 -0.11 2.92 1.01 -0.28 -5.01 120.40 125.29 1rhm s VAL 890 Ca 0.41 -2.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.00 1rhm s VAL 890 Cb -0.14 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1rhm s VAL 890 CO 0.10 -0.71 0.05 -0.55 0.00 0.00 0.00 175.10 173.99 1rhm s SER 892 N 1.30 5.60 -0.02 3.32 0.15 -1.26 -0.79 113.70 122.00 1rhm s SER 892 Ca 0.11 0.23 0.18 0.00 0.70 0.00 0.00 55.95 57.17 1rhm s SER 892 Cb -0.22 -1.70 0.32 0.00 -1.71 0.00 0.00 66.02 62.71 1rhm s SER 892 CO -0.05 0.37 1.13 0.23 1.20 0.00 0.00 173.24 176.12 1rhm n MET 893 N 2.24 0.18 -2.57 5.44 2.81 -0.25 -5.02 117.12 119.95 1rhm n MET 893 Ca -0.19 -1.89 -0.38 0.00 -1.81 0.00 0.00 57.70 53.43 1rhm n MET 893 Cb 0.54 -0.31 -0.05 0.00 -0.71 0.00 0.00 33.22 32.70 1rhm n MET 893 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rhm s LEU 894 N -0.37 4.35 0.04 4.03 1.43 -1.24 -0.99 118.68 125.93 1rhm s LEU 894 Ca 0.26 2.09 0.18 0.00 -1.03 0.00 0.00 54.13 55.62 1rhm s LEU 894 Cb 0.29 -3.92 -0.15 0.00 0.03 0.00 0.00 46.19 42.44 1rhm s LEU 894 CO -0.11 -0.26 0.75 0.41 0.23 0.00 0.00 176.35 177.36 1rhm n THR 895 N 0.59 1.09 -4.33 5.49 -1.04 -1.26 -4.89 114.28 109.93 1rhm n THR 895 Ca 0.02 -0.69 -0.18 0.00 -2.04 0.00 0.00 64.05 61.16 1rhm n THR 895 Cb 0.48 -0.65 -0.09 0.00 -1.82 0.00 0.00 70.33 68.25 1rhm n THR 895 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rhm s LYS 896 N -2.95 1.56 0.34 -2.82 1.02 -1.26 -5.14 119.74 110.49 1rhm s LYS 896 Ca -0.04 -1.88 -0.26 0.00 0.02 0.00 0.00 55.97 53.81 1rhm s LYS 896 Cb 0.09 -0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 37.18 1rhm s LYS 896 CO 0.82 -0.42 1.05 -1.21 -0.92 0.00 0.00 175.35 174.67 1rhm s GLU 897 N -3.86 4.39 -0.17 1.68 2.02 -1.26 -5.04 118.70 116.46 1rhm s GLU 897 Ca 0.36 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.95 1rhm s GLU 897 Cb 0.05 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.47 1rhm s GLU 897 CO 0.17 0.04 -0.16 -1.17 0.02 0.00 0.00 175.26 174.16 1rhm s LEU 898 N -2.11 2.37 -0.02 1.80 2.96 -1.26 -5.03 118.68 117.39 1rhm s LEU 898 Ca 0.52 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1rhm s LEU 898 Cb -0.25 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1rhm s LEU 898 CO 0.32 0.05 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.94 1rhm s TYR 899 N 1.01 1.39 -1.93 5.38 1.51 -1.26 0.00 117.35 123.45 1rhm s TYR 899 Ca -0.02 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1rhm s TYR 899 Cb -0.15 -0.91 0.24 0.00 -0.11 0.00 0.00 41.96 41.03 1rhm s TYR 899 CO -0.04 -0.06 1.18 1.19 -1.11 0.00 0.00 175.55 176.71 1rhm n PHE 900 N 2.85 0.37 -0.76 2.71 3.72 -1.26 -5.05 117.46 120.05 1rhm n PHE 900 Ca -0.15 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 1rhm n PHE 900 Cb 0.54 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1rhm n PHE 900 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19