#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3f s THR 816 N 0.00 2.90 -0.55 -0.18 -4.23 -1.26 -4.86 115.64 107.47 1p3f s THR 816 Ca 0.00 0.37 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 1p3f s THR 816 Cb 0.00 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.25 1p3f s THR 816 CO 0.00 -0.31 1.69 0.54 -0.54 0.00 0.00 174.62 176.01 1p3f n ARG 817 N -3.01 0.18 0.08 3.99 1.74 -1.26 -1.35 116.66 117.03 1p3f n ARG 817 Ca 0.11 0.39 -0.22 0.00 -0.77 0.00 0.00 57.85 57.37 1p3f n ARG 817 Cb 0.52 -1.83 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1p3f n ARG 817 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1p3f h SER 818 N 0.00 0.62 -0.39 0.55 0.02 -1.87 -0.74 113.55 111.75 1p3f h SER 818 Ca 0.00 -0.93 -0.02 0.00 -0.84 0.00 0.00 61.79 60.00 1p3f h SER 818 Cb 0.37 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1p3f h SER 818 CO 0.00 1.51 0.17 0.77 -1.14 0.00 0.00 176.83 178.14 1p3f h SER 819 N -0.15 0.52 -1.00 3.07 4.64 -1.67 0.36 113.55 119.32 1p3f h SER 819 Ca -0.18 -0.15 0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1p3f h SER 819 Cb 1.82 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 63.69 1p3f h SER 819 CO 0.20 0.52 0.62 -0.09 -0.87 0.00 0.00 176.83 177.21 1p3f h ARG 820 N 0.48 0.86 -0.02 4.77 2.43 -1.21 -1.12 114.38 120.58 1p3f h ARG 820 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1p3f h ARG 820 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1p3f h ARG 820 CO -0.01 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 1p3f n ALA 821 N -2.34 2.60 -2.67 2.80 0.00 0.25 -4.93 120.51 116.21 1p3f n ALA 821 Ca 0.21 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1p3f n ALA 821 Cb 0.45 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.67 1p3f n ALA 821 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3f n GLY 822 N 1.12 0.35 3.16 0.00 0.00 0.10 -5.04 105.19 104.88 1p3f n GLY 822 Ca 0.20 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1p3f n GLY 822 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3f s LEU 823 N -2.85 2.29 -0.07 0.99 1.43 0.24 -5.01 118.68 115.70 1p3f s LEU 823 Ca 0.15 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1p3f s LEU 823 Cb -0.06 -0.46 -0.26 0.00 0.03 0.00 0.00 46.19 45.44 1p3f s LEU 823 CO 0.18 -0.11 0.54 1.56 0.23 0.00 0.00 176.35 178.76 1p3f h GLN 824 N 4.22 0.19 -7.13 1.70 1.08 -1.95 -3.38 115.11 109.83 1p3f h GLN 824 Ca -0.40 -0.33 -0.51 0.00 -1.45 0.00 0.00 58.65 55.96 1p3f h GLN 824 Cb 1.19 0.12 0.10 0.00 -0.05 0.00 0.00 27.48 28.84 1p3f h GLN 824 CO 0.42 0.99 0.42 -0.06 -0.95 0.00 0.00 178.83 179.65 1p3f s PHE 825 N -2.58 2.53 -0.83 2.96 0.40 -1.26 -4.94 117.98 114.26 1p3f s PHE 825 Ca -0.15 1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 57.48 1p3f s PHE 825 Cb 0.07 -3.31 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 1p3f s PHE 825 CO 0.80 -1.85 1.93 -2.14 0.70 0.00 0.00 175.22 174.66 1p3f s PRO 826 N -3.60 2.56 0.12 0.24 0.02 -1.26 -4.82 135.00 128.26 1p3f s PRO 826 Ca 0.72 -0.07 -0.20 0.00 0.02 0.00 0.00 61.00 61.47 1p3f s PRO 826 Cb -0.25 -4.90 -0.05 0.00 0.02 0.00 0.00 34.50 29.32 1p3f s PRO 826 CO 0.34 -3.24 1.75 0.28 -0.33 0.00 0.00 177.00 175.80 1p3f h VAL 827 N 7.18 0.95 -0.83 3.83 2.07 -1.90 -2.31 116.25 125.24 1p3f h VAL 827 Ca 0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1p3f h VAL 827 Cb 1.04 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1p3f h VAL 827 CO 1.21 0.03 0.47 1.23 0.02 0.00 0.00 177.57 180.53 1p3f h GLY 828 N 0.15 1.23 0.87 2.17 0.00 -1.93 0.50 103.07 106.05 1p3f h GLY 828 Ca 0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1p3f h GLY 828 CO -0.09 0.52 0.02 -0.09 0.00 0.00 0.00 176.54 176.91 1p3f h ARG 829 N 1.16 0.09 -0.74 4.80 9.65 -1.92 -0.77 114.38 126.65 1p3f h ARG 829 Ca 0.30 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.21 1p3f h ARG 829 Cb 0.00 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.51 1p3f h ARG 829 CO -0.05 0.21 0.44 0.28 2.80 0.00 0.00 179.97 183.64 1p3f h VAL 830 N -0.05 1.02 -0.95 0.20 2.07 -1.25 0.46 116.25 117.74 1p3f h VAL 830 Ca 0.02 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1p3f h VAL 830 Cb 0.15 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 1p3f h VAL 830 CO -0.00 0.15 0.61 -0.74 0.02 0.00 0.00 177.57 177.61 1p3f h HIS 831 N 0.81 1.11 -0.37 1.57 -0.00 -0.37 0.52 115.15 118.42 1p3f h HIS 831 Ca 0.32 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.66 1p3f h HIS 831 Cb 0.15 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1p3f h HIS 831 CO -0.06 0.57 0.01 -0.09 -0.00 0.00 0.00 177.93 178.36 1p3f h ARG 832 N 1.08 0.64 -0.58 5.26 2.43 0.40 -3.03 114.38 120.58 1p3f h ARG 832 Ca 0.41 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1p3f h ARG 832 Cb 0.21 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1p3f h ARG 832 CO -0.16 0.74 0.35 -0.07 -1.51 0.00 0.00 179.97 179.31 1p3f h LEU 833 N 0.46 0.70 -1.63 3.80 3.38 -0.02 -1.76 115.31 120.23 1p3f h LEU 833 Ca 0.11 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1p3f h LEU 833 Cb 0.44 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1p3f h LEU 833 CO 0.02 0.55 0.44 -0.07 0.09 0.00 0.00 178.44 179.47 1p3f h LEU 834 N 0.78 0.36 -0.01 1.67 3.38 -0.81 -1.30 115.31 119.37 1p3f h LEU 834 Ca 0.21 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1p3f h LEU 834 Cb -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1p3f h LEU 834 CO -0.04 0.20 -0.19 0.03 0.09 0.00 0.00 178.44 178.54 1p3f h ARG 835 N 0.39 0.15 0.00 1.13 3.08 -1.32 -3.07 114.38 114.75 1p3f h ARG 835 Ca 0.31 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1p3f h ARG 835 Cb 0.69 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1p3f h ARG 835 CO -0.09 0.85 0.00 1.57 -1.07 0.00 0.00 179.97 181.23 1p3f h LYS 836 N -0.50 0.00 0.00 0.04 2.10 -1.09 -0.82 116.57 116.29 1p3f h LYS 836 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1p3f h LYS 836 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1p3f h LYS 836 CO 0.04 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.90 1p3f n GLY 837 N -0.18 -1.34 3.64 0.07 0.00 -0.52 -4.91 105.19 101.95 1p3f n GLY 837 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1p3f n GLY 837 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p3f n ASN 838 N -1.64 -5.52 -0.01 1.61 5.15 -0.32 -4.89 115.26 109.64 1p3f n ASN 838 Ca 0.05 -0.83 0.11 0.00 -0.60 0.00 0.00 54.58 53.31 1p3f n ASN 838 Cb 0.29 -2.85 -0.15 0.00 -0.53 0.00 0.00 39.78 36.54 1p3f n ASN 838 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1p3f n TYR 839 N -3.08 0.01 -3.56 1.20 4.02 -1.25 -4.98 117.16 109.51 1p3f n TYR 839 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 1p3f n TYR 839 Cb 0.61 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.61 1p3f n TYR 839 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3f s ALA 840 N -3.31 -1.74 0.36 -0.72 0.00 -1.26 -5.02 121.76 110.07 1p3f s ALA 840 Ca -0.02 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1p3f s ALA 840 Cb 0.15 0.54 0.70 0.00 0.00 0.00 0.00 23.12 24.51 1p3f s ALA 840 CO 0.89 -0.79 1.89 0.93 0.00 0.00 0.00 175.76 178.68 1p3f h GLU 841 N 2.00 0.33 -3.98 0.00 4.39 -2.00 -3.45 114.58 111.86 1p3f h GLU 841 Ca -0.24 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 1p3f h GLU 841 Cb 1.25 -0.04 -0.19 0.00 -0.10 0.00 0.00 28.75 29.66 1p3f h GLU 841 CO 0.30 0.45 -0.66 -0.98 -1.16 0.00 0.00 179.01 176.96 1p3f s ARG 842 N -4.76 0.42 -0.25 2.33 1.70 -1.26 -5.12 118.95 112.01 1p3f s ARG 842 Ca -0.06 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.47 1p3f s ARG 842 Cb 0.15 0.15 0.06 0.00 -0.57 0.00 0.00 34.95 34.75 1p3f s ARG 842 CO 0.75 -0.08 -0.06 0.08 -1.08 0.00 0.00 175.30 174.90 1p3f s VAL 843 N -2.15 1.78 0.76 4.99 1.01 -1.26 -5.08 120.40 120.45 1p3f s VAL 843 Ca -0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.30 1p3f s VAL 843 Cb -0.05 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1p3f s VAL 843 CO -0.03 -0.13 1.16 -0.83 0.00 0.00 0.00 175.10 175.27 1p3f s GLY 844 N 1.26 2.08 0.42 4.51 0.00 -1.26 -4.88 107.32 109.45 1p3f s GLY 844 Ca -0.05 0.66 0.29 0.00 0.00 0.00 0.00 44.72 45.62 1p3f s GLY 844 CO -0.06 1.05 1.88 0.00 0.00 0.00 0.00 173.10 175.96 1p3f h ALA 845 N -0.67 1.00 -0.03 3.20 0.00 -2.03 -2.29 119.26 118.44 1p3f h ALA 845 Ca -0.46 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1p3f h ALA 845 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1p3f h ALA 845 CO 0.49 0.00 -0.69 0.78 0.00 0.00 0.00 179.25 179.83 1p3f h GLY 846 N 1.84 0.18 0.61 0.00 0.00 -2.01 -3.29 103.07 100.42 1p3f h GLY 846 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1p3f h GLY 846 CO 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 176.54 176.43 1p3f h ALA 847 N 1.17 -1.20 0.00 3.60 0.00 -1.77 -1.02 119.26 120.05 1p3f h ALA 847 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1p3f h ALA 847 Cb 1.23 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1p3f h ALA 847 CO 0.10 -1.15 -0.01 -1.00 0.00 0.00 0.00 179.25 177.19 1p3f h PRO 848 N -0.88 0.00 0.18 0.00 0.13 -1.70 -1.21 132.00 128.52 1p3f h PRO 848 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1p3f h PRO 848 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1p3f h PRO 848 CO 0.11 0.01 -0.09 0.28 -0.23 0.00 0.00 178.00 178.09 1p3f h VAL 849 N 0.00 0.90 -0.38 1.56 2.07 -1.51 -0.35 116.25 118.54 1p3f h VAL 849 Ca -0.00 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1p3f h VAL 849 Cb 0.03 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1p3f h VAL 849 CO 0.00 0.09 0.22 0.22 0.02 0.00 0.00 177.57 178.12 1p3f h TYR 850 N -0.43 0.40 -0.12 1.57 -0.00 -0.60 -2.13 116.97 115.67 1p3f h TYR 850 Ca -0.02 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.62 1p3f h TYR 850 Cb 0.33 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 1p3f h TYR 850 CO -0.01 0.23 -0.37 1.25 -0.00 0.00 0.00 178.16 179.26 1p3f h LEU 851 N 0.44 0.25 -1.25 2.82 5.85 -1.20 -1.51 115.31 120.72 1p3f h LEU 851 Ca 0.15 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1p3f h LEU 851 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1p3f h LEU 851 CO -0.08 0.61 -0.32 0.00 -0.34 0.00 0.00 178.44 178.31 1p3f h ALA 852 N 1.41 1.18 0.15 1.25 0.00 -0.61 -1.29 119.26 121.34 1p3f h ALA 852 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1p3f h ALA 852 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p3f h ALA 852 CO 0.06 0.41 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 1p3f h ALA 853 N 1.68 -0.71 -0.97 0.00 0.00 -0.65 -1.82 119.26 116.79 1p3f h ALA 853 Ca -0.00 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 55.18 1p3f h ALA 853 Cb 0.71 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.39 1p3f h ALA 853 CO 0.04 -0.70 0.20 0.28 0.00 0.00 0.00 179.25 179.07 1p3f n VAL 854 N -2.74 -0.41 -0.23 0.00 0.31 -0.92 0.47 118.33 114.82 1p3f n VAL 854 Ca -0.02 2.07 -0.08 0.00 -0.01 0.00 0.00 64.34 66.29 1p3f n VAL 854 Cb 0.08 -3.13 0.03 0.00 -0.91 0.00 0.00 33.84 29.91 1p3f n VAL 854 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1p3f h LEU 855 N 0.00 0.96 -0.68 7.52 3.38 -1.15 -1.31 115.31 124.04 1p3f h LEU 855 Ca 0.67 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 1p3f h LEU 855 Cb 1.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1p3f h LEU 855 CO -0.85 0.94 -0.46 -0.08 0.09 0.00 0.00 178.44 178.08 1p3f h GLU 856 N 0.94 0.00 -0.27 1.13 4.81 0.43 -2.41 114.58 119.20 1p3f h GLU 856 Ca 0.20 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 1p3f h GLU 856 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1p3f h GLU 856 CO 0.00 0.46 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.32 1p3f h TYR 857 N 0.00 1.03 0.00 0.92 3.20 1.00 -2.47 116.97 120.65 1p3f h TYR 857 Ca -0.00 -0.37 -0.12 0.00 3.14 0.00 0.00 58.73 61.38 1p3f h TYR 857 Cb 1.07 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1p3f h TYR 857 CO 0.00 1.18 -0.56 -0.07 -1.64 0.00 0.00 178.16 177.07 1p3f h LEU 858 N 0.59 0.00 -0.54 2.82 3.38 -1.26 -2.67 115.31 117.63 1p3f h LEU 858 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1p3f h LEU 858 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1p3f h LEU 858 CO 0.11 0.56 -0.37 0.71 0.09 0.00 0.00 178.44 179.54 1p3f h THR 859 N 0.00 0.74 -0.17 0.22 1.35 -1.27 -2.88 112.91 110.90 1p3f h THR 859 Ca -0.01 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.16 1p3f h THR 859 Cb 1.07 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 1p3f h THR 859 CO 0.07 0.36 0.07 0.00 -0.25 0.00 0.00 175.52 175.78 1p3f h ALA 860 N 1.63 0.22 0.01 6.62 0.00 -1.17 -0.69 119.26 125.88 1p3f h ALA 860 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p3f h ALA 860 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1p3f h ALA 860 CO 0.05 -0.19 -0.00 1.49 0.00 0.00 0.00 179.25 180.59 1p3f h GLU 861 N 0.13 -0.01 0.00 0.00 4.57 -1.45 0.33 114.58 118.15 1p3f h GLU 861 Ca 0.06 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1p3f h GLU 861 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1p3f h GLU 861 CO -0.01 0.07 -0.49 0.97 -1.18 0.00 0.00 179.01 178.37 1p3f h ILE 862 N -0.08 1.30 0.06 2.32 2.10 -1.46 -0.17 117.51 121.58 1p3f h ILE 862 Ca -0.00 -1.72 -0.26 0.00 1.08 0.00 0.00 64.86 63.97 1p3f h ILE 862 Cb 0.08 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1p3f h ILE 862 CO 0.00 0.48 -1.26 -0.07 -1.08 0.00 0.00 178.15 176.22 1p3f h LEU 863 N 0.00 0.21 -0.12 2.19 3.38 -1.00 0.65 115.31 120.62 1p3f h LEU 863 Ca -0.00 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1p3f h LEU 863 Cb 0.90 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1p3f h LEU 863 CO 0.06 1.20 -0.05 -0.08 0.09 0.00 0.00 178.44 179.67 1p3f h GLU 864 N 0.04 -0.03 -0.20 1.13 4.57 -0.17 0.25 114.58 120.17 1p3f h GLU 864 Ca -0.12 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.89 1p3f h GLU 864 Cb 1.91 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 1p3f h GLU 864 CO 0.15 -0.02 -0.56 -0.07 -1.18 0.00 0.00 179.01 177.34 1p3f h LEU 865 N -0.03 0.69 0.04 1.64 3.38 -0.95 -2.91 115.31 117.16 1p3f h LEU 865 Ca 0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1p3f h LEU 865 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1p3f h LEU 865 CO -0.14 1.11 -0.02 0.00 0.09 0.00 0.00 178.44 179.48 1p3f h ALA 866 N 0.91 -0.05 -0.88 1.53 0.00 0.49 -2.55 119.26 118.71 1p3f h ALA 866 Ca 0.01 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1p3f h ALA 866 Cb 1.12 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1p3f h ALA 866 CO 0.11 -0.49 0.26 0.78 0.00 0.00 0.00 179.25 179.91 1p3f h GLY 867 N -0.13 1.38 1.27 0.00 0.00 -0.47 0.23 103.07 105.35 1p3f h GLY 867 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1p3f h GLY 867 CO 0.01 -0.35 -0.24 3.43 0.00 0.00 0.00 176.54 179.38 1p3f h ASN 868 N 0.23 0.85 -0.98 0.19 2.35 -1.26 -1.10 115.58 115.87 1p3f h ASN 868 Ca 0.55 -0.32 0.05 0.00 -0.55 0.00 0.00 56.30 56.03 1p3f h ASN 868 Cb 1.10 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.17 1p3f h ASN 868 CO -0.63 1.05 0.63 0.00 -1.65 0.00 0.00 177.43 176.84 1p3f h ALA 869 N 1.01 1.33 -0.68 -0.83 0.00 -0.39 1.48 119.26 121.18 1p3f h ALA 869 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p3f h ALA 869 Cb 0.77 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1p3f h ALA 869 CO 0.06 0.46 0.28 0.00 0.00 0.00 0.00 179.25 180.06 1p3f h ALA 870 N 1.43 0.88 -0.53 0.00 0.00 -0.35 -1.60 119.26 119.08 1p3f h ALA 870 Ca 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1p3f h ALA 870 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1p3f h ALA 870 CO -0.15 0.49 0.28 -0.09 0.00 0.00 0.00 179.25 179.78 1p3f h ARG 871 N 0.96 0.75 0.00 0.00 2.43 0.98 0.55 114.38 120.05 1p3f h ARG 871 Ca 0.23 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1p3f h ARG 871 Cb 0.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1p3f h ARG 871 CO -0.02 0.59 0.00 -0.25 -1.51 0.00 0.00 179.97 178.78 1p3f n ASP 872 N -4.61 0.00 -1.23 -3.80 8.00 0.46 -1.60 116.55 113.77 1p3f n ASP 872 Ca 0.03 0.49 -0.06 0.00 0.71 0.00 0.00 54.79 55.96 1p3f n ASP 872 Cb 0.09 -0.49 0.19 0.00 -0.02 0.00 0.00 41.12 40.89 1p3f n ASP 872 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3f n ASN 873 N -1.49 2.58 -2.11 -2.24 3.02 0.09 -4.92 115.26 110.19 1p3f n ASN 873 Ca 0.01 -3.80 -0.15 0.00 -0.03 0.00 0.00 54.58 50.62 1p3f n ASN 873 Cb 0.06 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 1p3f n ASN 873 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3f n LYS 874 N -1.12 -1.83 -4.23 3.52 4.01 -0.63 -4.95 118.16 112.92 1p3f n LYS 874 Ca 0.34 0.76 -0.27 0.00 -0.51 0.00 0.00 58.31 58.63 1p3f n LYS 874 Cb 1.04 -5.27 -0.09 0.00 -0.51 0.00 0.00 35.03 30.21 1p3f n LYS 874 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1p3f s LYS 875 N -4.46 2.24 -0.06 1.97 -0.14 -0.64 -5.04 119.74 113.63 1p3f s LYS 875 Ca 0.00 -1.12 0.07 0.00 -1.36 0.00 0.00 55.97 53.55 1p3f s LYS 875 Cb 0.00 -2.29 -0.10 0.00 -1.68 0.00 0.00 37.83 33.76 1p3f s LYS 875 CO 0.00 0.46 0.06 2.41 -0.76 0.00 0.00 175.35 177.52 1p3f n THR 876 N 0.14 0.40 -4.16 2.17 -1.04 -1.26 -3.63 114.28 106.89 1p3f n THR 876 Ca -0.11 -0.29 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 1p3f n THR 876 Cb 0.54 -0.56 -0.14 0.00 -1.82 0.00 0.00 70.33 68.36 1p3f n THR 876 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1p3f s ARG 877 N -2.26 3.42 0.32 -2.82 3.52 -1.26 -5.04 118.95 114.83 1p3f s ARG 877 Ca -0.03 -0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 54.65 1p3f s ARG 877 Cb 0.03 -2.92 -0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1p3f s ARG 877 CO 0.31 -0.05 1.35 0.42 -0.81 0.00 0.00 175.30 176.52 1p3f s ILE 878 N 1.08 2.65 0.31 4.11 1.01 -1.26 -5.00 121.20 124.10 1p3f s ILE 878 Ca 0.01 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.32 1p3f s ILE 878 Cb -0.15 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1p3f s ILE 878 CO -0.01 0.14 0.10 0.27 0.00 0.00 0.00 174.94 175.44 1p3f s ILE 879 N -0.91 0.77 0.26 2.92 -4.36 -1.26 -5.03 121.20 113.59 1p3f s ILE 879 Ca 0.51 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 1p3f s ILE 879 Cb -0.41 -2.63 0.24 0.00 1.25 0.00 0.00 42.46 40.91 1p3f s ILE 879 CO 0.52 0.00 1.73 -0.65 0.24 0.00 0.00 174.94 176.77 1p3f h PRO 880 N 2.16 0.44 -1.00 0.37 0.11 -1.90 -0.64 132.00 131.54 1p3f h PRO 880 Ca -0.38 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 65.94 1p3f h PRO 880 Cb 1.25 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1p3f h PRO 880 CO 0.62 0.29 0.59 -0.09 -0.21 0.00 0.00 178.00 179.20 1p3f h ARG 881 N 0.45 0.59 -0.12 1.05 2.43 -1.80 0.48 114.38 117.47 1p3f h ARG 881 Ca 0.45 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.46 1p3f h ARG 881 Cb 0.71 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1p3f h ARG 881 CO -0.43 0.39 -0.46 0.45 -1.51 0.00 0.00 179.97 178.42 1p3f h HIS 882 N 0.61 0.35 -0.33 2.20 -0.00 -1.46 -0.17 115.15 116.35 1p3f h HIS 882 Ca 0.63 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.83 1p3f h HIS 882 Cb 1.15 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.47 1p3f h HIS 882 CO -0.01 0.70 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.51 1p3f h LEU 883 N 0.24 0.61 -0.29 2.43 3.38 0.01 -0.60 115.31 121.09 1p3f h LEU 883 Ca 0.02 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1p3f h LEU 883 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1p3f h LEU 883 CO 0.07 0.80 0.15 -0.61 0.09 0.00 0.00 178.44 178.95 1p3f h GLN 884 N 0.40 0.31 0.05 1.13 5.75 -0.77 0.61 115.11 122.61 1p3f h GLN 884 Ca 0.09 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1p3f h GLN 884 Cb 0.51 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1p3f h GLN 884 CO 0.02 0.20 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.19 1p3f h LEU 885 N 0.32 -0.41 -0.32 -2.39 3.38 -0.89 0.11 115.31 115.10 1p3f h LEU 885 Ca 0.12 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1p3f h LEU 885 Cb 0.02 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1p3f h LEU 885 CO -0.07 -0.21 -0.24 0.00 0.09 0.00 0.00 178.44 178.01 1p3f h ALA 886 N 0.62 -0.05 0.79 1.53 0.00 -0.77 -0.63 119.26 120.74 1p3f h ALA 886 Ca 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1p3f h ALA 886 Cb 0.31 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1p3f h ALA 886 CO -0.10 -0.64 -0.38 0.28 0.00 0.00 0.00 179.25 178.41 1p3f h VAL 887 N -0.20 0.10 0.00 0.00 2.07 -0.32 -3.12 116.25 114.77 1p3f h VAL 887 Ca 0.16 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1p3f h VAL 887 Cb 0.46 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1p3f h VAL 887 CO -0.44 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.19 1p3f h ARG 888 N -1.21 0.00 -0.01 1.57 2.47 -0.74 -0.63 114.38 115.83 1p3f h ARG 888 Ca -0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1p3f h ARG 888 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1p3f h ARG 888 CO 0.18 0.00 -0.20 0.09 0.56 0.00 0.00 179.97 180.60 1p3f n ASN 889 N -2.66 1.50 -4.27 7.04 3.02 -0.25 -4.78 115.26 114.86 1p3f n ASN 889 Ca -0.01 -1.26 -0.35 0.00 -0.03 0.00 0.00 54.58 52.93 1p3f n ASN 889 Cb 0.14 0.14 -0.14 0.00 -0.61 0.00 0.00 39.78 39.32 1p3f n ASN 889 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3f s ASP 890 N -2.32 4.34 0.24 6.41 2.15 -0.25 -5.03 116.67 122.22 1p3f s ASP 890 Ca 0.27 -0.57 -0.07 0.00 0.43 0.00 0.00 52.55 52.61 1p3f s ASP 890 Cb 0.20 -1.72 0.44 0.00 -0.30 0.00 0.00 42.92 41.53 1p3f s ASP 890 CO 0.46 -0.07 1.64 -0.33 -0.17 0.00 0.00 175.17 176.70 1p3f h GLU 891 N 8.09 0.11 0.06 4.34 5.08 -1.86 0.15 114.58 130.55 1p3f h GLU 891 Ca -0.38 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1p3f h GLU 891 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1p3f h GLU 891 CO 0.60 0.07 -0.03 0.93 -1.00 0.00 0.00 179.01 179.58 1p3f h GLU 892 N 0.11 -0.08 -0.43 2.33 5.08 -1.96 -2.10 114.58 117.54 1p3f h GLU 892 Ca 0.41 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1p3f h GLU 892 Cb 0.72 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1p3f h GLU 892 CO -0.65 0.36 0.22 -0.07 -1.00 0.00 0.00 179.01 177.87 1p3f h LEU 893 N -0.55 0.53 -1.18 1.33 3.38 -1.77 0.44 115.31 117.49 1p3f h LEU 893 Ca -0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1p3f h LEU 893 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p3f h LEU 893 CO 0.01 0.45 -0.23 -1.13 0.09 0.00 0.00 178.44 177.63 1p3f h ASN 894 N 0.60 0.27 -0.00 -0.43 -1.24 -0.65 0.19 115.58 114.32 1p3f h ASN 894 Ca 0.15 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 56.98 1p3f h ASN 894 Cb 0.05 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.03 1p3f h ASN 894 CO -0.02 0.52 -0.42 0.50 -1.29 0.00 0.00 177.43 176.72 1p3f h LYS 895 N 0.25 0.29 -0.04 6.67 1.63 -0.39 -2.03 116.57 122.95 1p3f h LYS 895 Ca 0.04 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.55 1p3f h LYS 895 Cb 0.56 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1p3f h LYS 895 CO 0.04 1.01 0.04 1.25 -3.45 0.00 0.00 179.45 178.34 1p3f h LEU 896 N -0.31 0.00 -3.24 5.20 5.85 0.25 -0.65 115.31 122.42 1p3f h LEU 896 Ca -0.05 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1p3f h LEU 896 Cb 1.15 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1p3f h LEU 896 CO 0.08 0.00 -0.12 0.18 -0.34 0.00 0.00 178.44 178.24 1p3f n LEU 897 N -3.95 3.68 0.14 2.25 4.77 0.64 -4.82 117.00 119.71 1p3f n LEU 897 Ca -0.02 -3.59 0.12 0.00 -0.03 0.00 0.00 56.01 52.49 1p3f n LEU 897 Cb 0.13 -0.58 0.50 0.00 -2.33 0.00 0.00 43.42 41.15 1p3f n LEU 897 CO 0.28 1.12 0.85 0.61 -1.33 0.00 0.00 177.39 178.93 1p3f n GLY 898 N -1.05 -1.22 1.37 -0.72 0.00 -0.25 -1.75 105.19 101.56 1p3f n GLY 898 Ca 0.27 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 1p3f n GLY 898 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3f n ARG 899 N -2.24 2.16 -5.10 1.61 1.74 -1.26 -5.03 116.66 108.54 1p3f n ARG 899 Ca 0.02 -3.50 -0.30 0.00 -0.77 0.00 0.00 57.85 53.30 1p3f n ARG 899 Cb 0.20 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 1p3f n ARG 899 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3f s VAL 900 N -3.44 2.03 -0.19 1.55 1.01 -0.72 -5.09 120.40 115.54 1p3f s VAL 900 Ca 0.41 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1p3f s VAL 900 Cb 0.38 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1p3f s VAL 900 CO -0.04 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.61 1p3f s THR 901 N -0.68 3.66 -0.48 3.92 2.01 -1.26 -5.05 115.64 117.76 1p3f s THR 901 Ca 0.10 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1p3f s THR 901 Cb -0.10 -2.64 0.08 0.00 0.01 0.00 0.00 72.50 69.85 1p3f s THR 901 CO 0.00 0.44 0.42 -0.63 -0.69 0.00 0.00 174.62 174.16 1p3f s ILE 902 N 1.01 5.23 0.97 1.82 1.01 -1.26 -5.04 121.20 124.94 1p3f s ILE 902 Ca 0.01 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 59.39 1p3f s ILE 902 Cb -0.15 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1p3f s ILE 902 CO 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 174.94 174.26 1p3f n ALA 903 N 5.23 -3.72 -2.00 9.38 0.00 -1.26 -2.15 120.51 125.98 1p3f n ALA 903 Ca -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 1p3f n ALA 903 Cb 0.43 -1.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 1p3f n ALA 903 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p3f n GLN 904 N -0.17 -2.15 0.03 0.00 1.13 -1.26 -4.83 117.38 110.14 1p3f n GLN 904 Ca 0.03 0.23 0.11 0.00 -1.94 0.00 0.00 57.00 55.44 1p3f n GLN 904 Cb 0.55 -4.61 -0.11 0.00 0.11 0.00 0.00 30.24 26.18 1p3f n GLN 904 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3f n GLY 905 N -0.42 -1.16 7.00 1.08 0.00 -0.91 -3.49 105.19 107.28 1p3f n GLY 905 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1p3f n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3f n GLY 906 N 1.24 -0.93 3.18 -0.02 0.00 -1.26 -4.55 105.19 102.84 1p3f n GLY 906 Ca -0.02 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1p3f n GLY 906 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3f s VAL 907 N 0.00 0.11 0.25 1.61 -7.23 -1.26 -5.08 120.40 108.81 1p3f s VAL 907 Ca 0.00 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 1p3f s VAL 907 Cb 0.00 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1p3f s VAL 907 CO 0.00 -0.51 1.16 -0.76 -0.31 0.00 0.00 175.10 174.67 1p3f s LEU 908 N -3.01 4.50 0.24 1.32 1.43 -1.26 -4.96 118.68 116.94 1p3f s LEU 908 Ca 0.20 2.30 -0.31 0.00 -1.03 0.00 0.00 54.13 55.29 1p3f s LEU 908 Cb 0.07 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.55 1p3f s LEU 908 CO -0.01 -0.27 1.66 -2.84 0.23 0.00 0.00 176.35 175.13 1p3f s PRO 909 N -1.05 4.13 -0.30 1.29 0.02 -1.26 -4.93 135.00 132.91 1p3f s PRO 909 Ca 0.48 2.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.92 1p3f s PRO 909 Cb -0.33 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.30 1p3f s PRO 909 CO 0.41 -0.70 1.07 1.21 -0.33 0.00 0.00 177.00 178.67 1p3f s ASN 910 N 0.92 -0.43 -0.07 2.53 3.84 -1.26 -5.16 114.94 115.31 1p3f s ASN 910 Ca 0.70 0.56 0.03 0.00 0.21 0.00 0.00 52.86 54.36 1p3f s ASN 910 Cb -0.49 1.48 0.01 0.00 -0.55 0.00 0.00 41.25 41.70 1p3f s ASN 910 CO 0.38 -0.08 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.82 1p3f s ILE 911 N 2.39 1.38 0.39 -5.21 1.01 -1.26 -5.11 121.20 114.79 1p3f s ILE 911 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1p3f s ILE 911 Cb -0.05 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.10 1p3f s ILE 911 CO -0.17 0.41 1.32 -1.10 0.00 0.00 0.00 174.94 175.40 1p3f s GLN 912 N 0.52 4.06 0.12 2.79 -1.52 -1.26 -4.95 119.66 119.42 1p3f s GLN 912 Ca -0.14 2.21 -0.29 0.00 -1.95 0.00 0.00 55.36 55.18 1p3f s GLN 912 Cb -0.16 -2.84 -0.07 0.00 -0.22 0.00 0.00 33.01 29.72 1p3f s GLN 912 CO 0.05 -0.43 1.59 0.77 -0.25 0.00 0.00 175.29 177.02 1p3f h SER 913 N 2.85 -1.18 -1.59 5.90 0.02 -1.99 -2.70 113.55 114.86 1p3f h SER 913 Ca -0.50 0.14 0.46 0.00 -0.84 0.00 0.00 61.79 61.06 1p3f h SER 913 Cb 1.24 0.46 -0.06 0.00 0.14 0.00 0.00 62.40 64.18 1p3f h SER 913 CO 0.63 -0.44 1.20 -0.37 -1.14 0.00 0.00 176.83 176.71 1p3f h VAL 914 N -0.56 0.14 0.00 2.27 -1.51 -1.99 0.74 116.25 115.34 1p3f h VAL 914 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1p3f h VAL 914 Cb 0.63 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1p3f h VAL 914 CO -0.30 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 175.97 1p3f h LEU 915 N 0.00 0.00-10.38 4.19 3.38 -1.86 -3.47 115.31 107.18 1p3f h LEU 915 Ca 0.76 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 58.22 1p3f h LEU 915 Cb 3.15 0.00 0.09 0.00 0.09 0.00 0.00 40.66 43.99 1p3f h LEU 915 CO -0.01 0.00 0.38 -0.76 0.09 0.00 0.00 178.44 178.14 1p3f s LEU 916 N -5.89 3.01 1.09 1.67 1.43 0.25 -5.04 118.68 115.20 1p3f s LEU 916 Ca 0.04 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 1p3f s LEU 916 Cb 0.08 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 42.04 1p3f s LEU 916 CO 0.58 -1.41 -0.41 -2.65 0.23 0.00 0.00 176.35 172.69 1p3f n PRO 917 N -3.09 -1.19 0.00 1.29 -0.02 -1.26 -5.10 135.00 125.62 1p3f n PRO 917 Ca 0.07 -0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.30 1p3f n PRO 917 Cb 0.55 -1.51 0.07 0.00 -0.02 0.00 0.00 33.50 32.58 1p3f n PRO 917 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11