#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3a s LYS 815 N 0.00 4.50 0.85 0.00 1.02 -1.26 -5.02 119.74 119.82 1p3a s LYS 815 Ca 0.00 2.01 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 1p3a s LYS 815 Cb 0.00 -3.13 0.10 0.00 -0.52 0.00 0.00 37.83 34.28 1p3a s LYS 815 CO 0.00 0.01 1.10 0.95 -0.92 0.00 0.00 175.35 176.48 1p3a s THR 816 N -1.14 2.84 -0.15 2.17 -4.23 -1.26 -4.90 115.64 108.96 1p3a s THR 816 Ca 0.47 0.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.41 1p3a s THR 816 Cb -0.36 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.68 1p3a s THR 816 CO 0.47 -0.35 1.49 0.03 -0.54 0.00 0.00 174.62 175.72 1p3a h ARG 817 N -1.32 0.00 -0.55 3.99 3.08 -1.98 -2.42 114.38 115.19 1p3a h ARG 817 Ca -0.48 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 1p3a h ARG 817 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1p3a h ARG 817 CO 0.57 0.44 0.19 0.77 -1.07 0.00 0.00 179.97 180.87 1p3a h SER 818 N 0.00 0.78 -0.03 7.04 0.02 -1.88 -0.38 113.55 119.10 1p3a h SER 818 Ca -0.00 -0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.52 1p3a h SER 818 Cb 1.29 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.64 1p3a h SER 818 CO 0.06 0.77 -0.83 0.77 -1.14 0.00 0.00 176.83 176.46 1p3a h SER 819 N 0.76 0.85 -0.76 3.07 4.64 -1.75 0.41 113.55 120.76 1p3a h SER 819 Ca 0.18 -0.59 0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1p3a h SER 819 Cb 0.25 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1p3a h SER 819 CO -0.01 1.38 0.52 0.03 -0.87 0.00 0.00 176.83 177.88 1p3a h ARG 820 N 0.46 0.29 0.00 4.77 3.08 -1.10 0.92 114.38 122.80 1p3a h ARG 820 Ca -0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1p3a h ARG 820 Cb 1.46 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1p3a h ARG 820 CO 0.16 0.19 -0.90 0.00 -1.07 0.00 0.00 179.97 178.36 1p3a n ALA 821 N -2.56 3.33 -1.77 0.04 0.00 -0.18 -4.99 120.51 114.38 1p3a n ALA 821 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1p3a n ALA 821 Cb 0.62 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1p3a n ALA 821 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3a n GLY 822 N 1.37 0.65 3.07 0.00 0.00 0.32 -5.08 105.19 105.52 1p3a n GLY 822 Ca 0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1p3a n GLY 822 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3a s LEU 823 N -2.99 2.43 -0.14 0.99 1.43 0.13 -5.00 118.68 115.53 1p3a s LEU 823 Ca 0.03 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.08 1p3a s LEU 823 Cb -0.00 0.13 -0.24 0.00 0.03 0.00 0.00 46.19 46.10 1p3a s LEU 823 CO 0.06 -0.50 0.43 1.56 0.23 0.00 0.00 176.35 178.13 1p3a h GLN 824 N 3.51 0.15 -6.86 1.70 1.08 -1.95 -3.39 115.11 109.35 1p3a h GLN 824 Ca -0.34 -0.26 -0.56 0.00 -1.45 0.00 0.00 58.65 56.05 1p3a h GLN 824 Cb 1.16 0.10 0.12 0.00 -0.05 0.00 0.00 27.48 28.80 1p3a h GLN 824 CO 0.59 1.12 0.59 1.19 -0.95 0.00 0.00 178.83 181.37 1p3a n PHE 825 N -4.07 2.43 -2.09 2.96 3.01 -1.26 -4.93 117.46 113.51 1p3a n PHE 825 Ca -0.27 0.49 -0.33 0.00 1.01 0.00 0.00 57.45 58.34 1p3a n PHE 825 Cb 0.82 -2.43 -0.04 0.00 -0.01 0.00 0.00 39.48 37.82 1p3a n PHE 825 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1p3a s PRO 826 N -2.16 2.66 0.26 -1.08 0.04 -1.26 -4.71 135.00 128.75 1p3a s PRO 826 Ca 0.58 0.10 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 1p3a s PRO 826 Cb -0.50 -4.72 0.29 0.00 0.04 0.00 0.00 34.50 29.60 1p3a s PRO 826 CO 0.60 -2.97 1.93 0.28 0.04 0.00 0.00 177.00 176.88 1p3a h VAL 827 N 7.01 1.25 -0.64 -0.36 2.07 -1.90 -0.95 116.25 122.72 1p3a h VAL 827 Ca -0.08 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1p3a h VAL 827 Cb 1.08 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1p3a h VAL 827 CO 1.23 0.24 0.24 1.23 0.02 0.00 0.00 177.57 180.53 1p3a h GLY 828 N 1.33 1.02 0.53 2.17 0.00 -1.95 -1.82 103.07 104.35 1p3a h GLY 828 Ca 0.37 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1p3a h GLY 828 CO -0.08 0.51 -0.09 -0.09 0.00 0.00 0.00 176.54 176.79 1p3a h ARG 829 N 0.93 0.13 0.00 4.80 9.65 -1.85 -2.28 114.38 125.76 1p3a h ARG 829 Ca 0.22 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1p3a h ARG 829 Cb 0.21 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1p3a h ARG 829 CO -0.02 0.67 0.00 0.28 2.80 0.00 0.00 179.97 183.71 1p3a h VAL 830 N -0.39 0.00 0.17 0.20 2.07 -1.13 -1.20 116.25 115.97 1p3a h VAL 830 Ca 0.00 -0.12 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 1p3a h VAL 830 Cb 0.67 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1p3a h VAL 830 CO 0.02 0.00 -1.62 -0.74 0.02 0.00 0.00 177.57 175.25 1p3a h HIS 831 N 0.00 0.65 0.33 1.57 -0.00 -1.14 -2.86 115.15 113.71 1p3a h HIS 831 Ca 0.00 -0.48 -0.02 0.00 -0.00 0.00 0.00 60.37 59.88 1p3a h HIS 831 Cb 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1p3a h HIS 831 CO 0.00 1.54 -0.16 0.00 -0.00 0.00 0.00 177.93 179.31 1p3a h ARG 832 N 0.10 -0.43 -0.67 5.26 3.08 -0.67 -2.67 114.38 118.37 1p3a h ARG 832 Ca -0.29 0.03 0.16 0.00 0.07 0.00 0.00 59.98 59.95 1p3a h ARG 832 Cb 2.08 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 32.19 1p3a h ARG 832 CO 0.19 -0.13 0.46 -0.07 -1.07 0.00 0.00 179.97 179.34 1p3a h LEU 833 N -0.72 0.21 -0.29 3.04 3.38 -1.41 0.73 115.31 120.25 1p3a h LEU 833 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1p3a h LEU 833 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1p3a h LEU 833 CO 0.07 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1p3a n LEU 834 N -4.43 0.30 -0.10 1.67 4.77 -1.02 -1.45 117.00 116.74 1p3a n LEU 834 Ca 0.13 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.45 1p3a n LEU 834 Cb 0.58 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1p3a n LEU 834 CO 0.35 -0.37 -1.16 0.54 -1.33 0.00 0.00 177.39 175.42 1p3a n ARG 835 N -1.82 0.65 0.14 3.23 1.74 0.24 -4.20 116.66 116.64 1p3a n ARG 835 Ca 0.03 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 1p3a n ARG 835 Cb 0.21 -1.58 0.49 0.00 -1.02 0.00 0.00 32.46 30.56 1p3a n ARG 835 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1p3a h LYS 836 N -0.35 0.00 -0.00 5.56 2.10 -1.12 -2.41 116.57 120.35 1p3a h LYS 836 Ca -0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1p3a h LYS 836 Cb 1.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1p3a h LYS 836 CO -0.15 0.00 -0.13 0.41 -2.00 0.00 0.00 179.45 177.58 1p3a n GLY 837 N 0.21 -1.05 3.53 0.07 0.00 -0.53 -4.95 105.19 102.46 1p3a n GLY 837 Ca 0.03 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1p3a n GLY 837 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p3a n ASN 838 N -1.09 -5.70 -0.05 1.61 5.15 -0.91 -4.93 115.26 109.35 1p3a n ASN 838 Ca 0.13 -0.47 -0.03 0.00 -0.60 0.00 0.00 54.58 53.61 1p3a n ASN 838 Cb 0.29 -2.45 -0.11 0.00 -0.53 0.00 0.00 39.78 36.97 1p3a n ASN 838 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1p3a n TYR 839 N -1.55 0.00 -3.81 1.20 4.02 -1.26 -5.07 117.16 110.69 1p3a n TYR 839 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.66 1p3a n TYR 839 Cb 0.65 -0.58 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1p3a n TYR 839 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3a s ALA 840 N -2.54 -1.33 0.15 -0.72 0.00 -1.26 -5.05 121.76 111.00 1p3a s ALA 840 Ca -0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1p3a s ALA 840 Cb 0.06 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1p3a s ALA 840 CO 0.58 -1.02 1.68 0.93 0.00 0.00 0.00 175.76 177.92 1p3a h GLU 841 N 2.00 0.79 -5.84 0.00 4.39 -1.99 -3.45 114.58 110.49 1p3a h GLU 841 Ca -0.21 -0.17 -0.50 0.00 0.34 0.00 0.00 59.36 58.82 1p3a h GLU 841 Cb 1.25 -0.11 -0.18 0.00 -0.10 0.00 0.00 28.75 29.61 1p3a h GLU 841 CO 0.24 0.74 -0.78 1.03 -1.16 0.00 0.00 179.01 179.09 1p3a s ARG 842 N -5.40 1.23 -0.21 2.33 0.52 -1.26 -5.13 118.95 111.04 1p3a s ARG 842 Ca -0.13 -1.38 0.02 0.00 -0.52 0.00 0.00 55.73 53.72 1p3a s ARG 842 Cb 0.12 -1.25 0.04 0.00 0.52 0.00 0.00 34.95 34.37 1p3a s ARG 842 CO 0.79 0.25 -0.16 0.08 0.02 0.00 0.00 175.30 176.28 1p3a s VAL 843 N -2.07 2.03 0.97 3.52 1.01 -1.26 -5.09 120.40 119.52 1p3a s VAL 843 Ca 0.15 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1p3a s VAL 843 Cb -0.05 -1.97 0.17 0.00 0.00 0.00 0.00 36.38 34.53 1p3a s VAL 843 CO 0.06 0.31 1.08 0.61 0.00 0.00 0.00 175.10 177.17 1p3a n GLY 844 N 4.57 -0.78 0.21 4.51 0.00 -1.26 -4.95 105.19 107.49 1p3a n GLY 844 Ca -0.18 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1p3a n GLY 844 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p3a h ALA 845 N -2.05 0.74 0.00 4.61 0.00 -2.04 -3.11 119.26 117.41 1p3a h ALA 845 Ca -0.47 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1p3a h ALA 845 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1p3a h ALA 845 CO 0.42 0.68 -0.19 0.78 0.00 0.00 0.00 179.25 180.94 1p3a h GLY 846 N 1.09 0.00 0.45 0.00 0.00 -2.00 -3.36 103.07 99.25 1p3a h GLY 846 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1p3a h GLY 846 CO 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.24 1p3a h ALA 847 N 2.45 -0.78 -0.05 3.60 0.00 -1.91 0.14 119.26 122.71 1p3a h ALA 847 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1p3a h ALA 847 Cb 0.77 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1p3a h ALA 847 CO 0.00 -0.99 -0.34 -1.00 0.00 0.00 0.00 179.25 176.92 1p3a h PRO 848 N -0.72 0.09 -0.08 0.00 0.13 -1.73 -2.08 132.00 127.61 1p3a h PRO 848 Ca -0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1p3a h PRO 848 Cb 0.69 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1p3a h PRO 848 CO -0.15 0.42 -0.00 0.28 -0.23 0.00 0.00 178.00 178.32 1p3a h VAL 849 N 0.08 1.25 -0.65 1.56 2.07 -1.61 -0.91 116.25 118.04 1p3a h VAL 849 Ca 0.01 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1p3a h VAL 849 Cb 0.64 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1p3a h VAL 849 CO 0.05 0.22 0.15 0.22 0.02 0.00 0.00 177.57 178.23 1p3a h TYR 850 N -0.15 1.08 -0.10 1.57 -0.00 -0.64 -2.34 116.97 116.39 1p3a h TYR 850 Ca 0.02 -0.12 -0.21 0.00 -0.00 0.00 0.00 58.73 58.42 1p3a h TYR 850 Cb 0.35 -0.31 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 1p3a h TYR 850 CO 0.03 0.89 -0.78 1.25 -0.00 0.00 0.00 178.16 179.56 1p3a h LEU 851 N 0.98 0.69 -0.90 2.82 5.85 -1.28 -1.23 115.31 122.24 1p3a h LEU 851 Ca 0.21 -0.46 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 1p3a h LEU 851 Cb 0.36 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1p3a h LEU 851 CO 0.00 1.24 -0.55 0.00 -0.34 0.00 0.00 178.44 178.79 1p3a h ALA 852 N 0.75 1.09 -0.42 1.25 0.00 -1.15 -0.17 119.26 120.61 1p3a h ALA 852 Ca -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1p3a h ALA 852 Cb 1.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1p3a h ALA 852 CO 0.15 0.69 0.17 0.00 0.00 0.00 0.00 179.25 180.25 1p3a h ALA 853 N 1.45 0.54 -0.02 0.00 0.00 -1.14 0.95 119.26 121.04 1p3a h ALA 853 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p3a h ALA 853 Cb 0.97 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1p3a h ALA 853 CO 0.07 0.14 -0.00 0.28 0.00 0.00 0.00 179.25 179.74 1p3a h VAL 854 N 0.53 1.28 -0.69 0.00 2.07 -0.86 -1.70 116.25 116.88 1p3a h VAL 854 Ca 0.14 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1p3a h VAL 854 Cb 0.18 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1p3a h VAL 854 CO -0.01 0.22 0.46 -0.07 0.02 0.00 0.00 177.57 178.19 1p3a h LEU 855 N -0.30 0.67 -0.28 2.57 3.38 -0.93 0.32 115.31 120.74 1p3a h LEU 855 Ca 0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1p3a h LEU 855 Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1p3a h LEU 855 CO 0.00 0.45 -0.18 -0.08 0.09 0.00 0.00 178.44 178.72 1p3a h GLU 856 N 0.77 0.62 -0.85 1.13 4.81 -0.71 -1.87 114.58 118.48 1p3a h GLU 856 Ca 0.29 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1p3a h GLU 856 Cb 0.17 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1p3a h GLU 856 CO -0.09 0.88 0.56 -0.92 -0.73 0.00 0.00 179.01 178.71 1p3a h TYR 857 N 0.36 1.06 -0.41 0.92 3.20 -0.28 -0.68 116.97 121.14 1p3a h TYR 857 Ca 0.06 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1p3a h TYR 857 Cb 0.72 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1p3a h TYR 857 CO 0.07 0.66 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.97 1p3a h LEU 858 N 1.14 0.89 -0.60 2.82 3.38 -0.27 -2.54 115.31 120.12 1p3a h LEU 858 Ca 0.32 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1p3a h LEU 858 Cb -0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1p3a h LEU 858 CO -0.08 1.10 -0.64 0.71 0.09 0.00 0.00 178.44 179.62 1p3a h THR 859 N 0.68 1.40 -0.06 0.22 1.35 -1.09 -2.75 112.91 112.66 1p3a h THR 859 Ca 0.09 -2.06 -0.06 0.00 -0.55 0.00 0.00 66.41 63.83 1p3a h THR 859 Cb 0.76 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1p3a h THR 859 CO 0.06 0.61 -0.26 0.00 -0.25 0.00 0.00 175.52 175.68 1p3a h ALA 860 N 1.16 1.45 -0.22 6.62 0.00 -1.07 -1.89 119.26 125.32 1p3a h ALA 860 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1p3a h ALA 860 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1p3a h ALA 860 CO 0.10 0.40 -0.17 1.49 0.00 0.00 0.00 179.25 181.06 1p3a h GLU 861 N 0.10 0.50 -0.04 0.00 4.57 -1.18 -2.12 114.58 116.41 1p3a h GLU 861 Ca 0.02 -0.25 -0.22 0.00 -1.18 0.00 0.00 59.36 57.73 1p3a h GLU 861 Cb 0.52 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1p3a h GLU 861 CO 0.04 0.82 -0.88 0.97 -1.18 0.00 0.00 179.01 178.77 1p3a h ILE 862 N 0.19 1.35 -0.51 2.32 2.10 -1.41 -3.00 117.51 118.56 1p3a h ILE 862 Ca 0.04 -2.26 -0.02 0.00 1.08 0.00 0.00 64.86 63.70 1p3a h ILE 862 Cb 0.70 2.27 -0.03 0.00 -1.09 0.00 0.00 36.82 38.67 1p3a h ILE 862 CO 0.05 0.69 0.25 -0.07 -1.08 0.00 0.00 178.15 177.98 1p3a h LEU 863 N 0.32 0.63 -0.39 2.19 3.38 -1.38 0.48 115.31 120.54 1p3a h LEU 863 Ca -0.07 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1p3a h LEU 863 Cb 1.50 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1p3a h LEU 863 CO 0.16 0.53 0.22 -0.08 0.09 0.00 0.00 178.44 179.37 1p3a h GLU 864 N 0.71 0.44 -0.21 1.13 4.57 -1.36 0.95 114.58 120.81 1p3a h GLU 864 Ca 0.18 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.18 1p3a h GLU 864 Cb 0.06 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1p3a h GLU 864 CO -0.03 0.29 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.57 1p3a h LEU 865 N 0.45 0.76 -0.07 1.64 3.38 -0.97 -2.61 115.31 117.89 1p3a h LEU 865 Ca 0.15 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1p3a h LEU 865 Cb 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1p3a h LEU 865 CO -0.08 1.18 0.04 0.00 0.09 0.00 0.00 178.44 179.68 1p3a h ALA 866 N 0.60 0.10 -0.69 1.53 0.00 -0.01 -1.56 119.26 119.22 1p3a h ALA 866 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1p3a h ALA 866 Cb 1.06 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1p3a h ALA 866 CO 0.10 -0.38 0.31 0.78 0.00 0.00 0.00 179.25 180.06 1p3a h GLY 867 N 0.06 1.03 0.96 0.00 0.00 -0.86 -0.67 103.07 103.58 1p3a h GLY 867 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1p3a h GLY 867 CO -0.00 0.01 0.07 3.43 0.00 0.00 0.00 176.54 180.05 1p3a h ASN 868 N 0.53 0.15 -0.94 0.19 2.35 -1.01 -1.24 115.58 115.61 1p3a h ASN 868 Ca 0.35 -0.05 0.20 0.00 -0.55 0.00 0.00 56.30 56.25 1p3a h ASN 868 Cb 0.42 -0.04 -0.11 0.00 0.05 0.00 0.00 38.32 38.64 1p3a h ASN 868 CO -0.30 0.16 0.51 0.00 -1.65 0.00 0.00 177.43 176.14 1p3a h ALA 869 N 1.00 1.54 -0.15 -0.83 0.00 -0.65 0.38 119.26 120.55 1p3a h ALA 869 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1p3a h ALA 869 Cb 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p3a h ALA 869 CO -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 1p3a h ALA 870 N 1.66 0.20 -0.22 0.00 0.00 -0.59 -2.26 119.26 118.05 1p3a h ALA 870 Ca 0.56 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1p3a h ALA 870 Cb 0.95 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1p3a h ALA 870 CO -0.44 -0.06 -0.04 -0.09 0.00 0.00 0.00 179.25 178.62 1p3a h ARG 871 N -0.02 0.01 0.00 0.00 2.43 0.28 0.47 114.38 117.55 1p3a h ARG 871 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1p3a h ARG 871 Cb 0.44 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1p3a h ARG 871 CO 0.01 0.01 0.10 -0.25 -1.51 0.00 0.00 179.97 178.33 1p3a n ASP 872 N -5.20 0.22 -0.67 -3.80 8.00 0.11 -0.25 116.55 114.97 1p3a n ASP 872 Ca -0.02 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.10 1p3a n ASP 872 Cb 0.13 -0.55 0.21 0.00 -0.02 0.00 0.00 41.12 40.89 1p3a n ASP 872 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3a n ASN 873 N -1.78 3.38 -0.93 -2.24 3.02 0.15 -4.95 115.26 111.92 1p3a n ASN 873 Ca -0.01 -2.81 -0.09 0.00 -0.03 0.00 0.00 54.58 51.64 1p3a n ASN 873 Cb 0.12 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 1p3a n ASN 873 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3a n LYS 874 N -0.49 -1.53 -3.84 3.52 5.02 0.66 -4.91 118.16 116.58 1p3a n LYS 874 Ca 0.18 0.64 -0.35 0.00 -2.02 0.00 0.00 58.31 56.76 1p3a n LYS 874 Cb 0.74 -4.74 -0.05 0.00 -0.02 0.00 0.00 35.03 30.96 1p3a n LYS 874 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1p3a s LYS 875 N -2.53 3.49 -0.10 1.97 -0.14 -0.73 -5.01 119.74 116.71 1p3a s LYS 875 Ca 0.00 -0.17 0.16 0.00 -1.36 0.00 0.00 55.97 54.60 1p3a s LYS 875 Cb 0.00 -3.12 -0.23 0.00 -1.68 0.00 0.00 37.83 32.79 1p3a s LYS 875 CO 0.00 0.70 0.42 2.41 -0.76 0.00 0.00 175.35 178.12 1p3a n THR 876 N 1.34 1.38 -3.79 2.17 -1.04 -1.26 -3.92 114.28 109.16 1p3a n THR 876 Ca -0.14 -0.80 -0.35 0.00 -2.04 0.00 0.00 64.05 60.73 1p3a n THR 876 Cb 0.53 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 68.26 1p3a n THR 876 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1p3a s ARG 877 N -2.64 4.14 0.13 -2.82 3.52 -1.26 -5.02 118.95 115.00 1p3a s ARG 877 Ca -0.07 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.98 1p3a s ARG 877 Cb 0.08 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 1p3a s ARG 877 CO 0.83 0.30 1.23 0.42 -0.81 0.00 0.00 175.30 177.26 1p3a s ILE 878 N 0.36 3.70 0.41 4.11 1.01 -1.26 -5.00 121.20 124.52 1p3a s ILE 878 Ca 0.07 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.08 1p3a s ILE 878 Cb -0.11 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 1p3a s ILE 878 CO -0.02 0.15 0.03 0.27 0.00 0.00 0.00 174.94 175.37 1p3a s ILE 879 N 0.55 1.61 0.29 2.92 -4.36 -1.26 -5.03 121.20 115.93 1p3a s ILE 879 Ca 0.57 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.99 1p3a s ILE 879 Cb -0.32 -2.79 0.28 0.00 1.25 0.00 0.00 42.46 40.88 1p3a s ILE 879 CO 0.33 0.00 1.72 -0.65 0.24 0.00 0.00 174.94 176.58 1p3a h PRO 880 N 1.78 0.49 -0.04 0.37 0.11 -1.89 -0.15 132.00 132.67 1p3a h PRO 880 Ca -0.43 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1p3a h PRO 880 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p3a h PRO 880 CO 0.76 0.32 0.03 -0.09 -0.21 0.00 0.00 178.00 178.81 1p3a h ARG 881 N 0.50 0.00 -0.14 1.05 2.43 -1.79 0.20 114.38 116.64 1p3a h ARG 881 Ca 0.55 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 1p3a h ARG 881 Cb 0.97 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1p3a h ARG 881 CO -0.47 0.00 -0.04 0.45 -1.51 0.00 0.00 179.97 178.39 1p3a h HIS 882 N 0.00 0.32 -0.50 2.20 3.86 -1.36 0.15 115.15 119.82 1p3a h HIS 882 Ca 0.02 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1p3a h HIS 882 Cb 0.08 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1p3a h HIS 882 CO 0.00 0.58 0.29 -0.07 0.86 0.00 0.00 177.93 179.59 1p3a h LEU 883 N -0.04 0.47 0.01 2.43 3.38 -0.98 -1.16 115.31 119.42 1p3a h LEU 883 Ca 0.03 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1p3a h LEU 883 Cb 0.48 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1p3a h LEU 883 CO 0.02 0.33 -0.14 -0.61 0.09 0.00 0.00 178.44 178.13 1p3a h GLN 884 N 0.58 -0.23 -0.91 1.13 5.75 -0.74 0.19 115.11 120.89 1p3a h GLN 884 Ca 0.20 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1p3a h GLN 884 Cb 0.03 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1p3a h GLN 884 CO -0.10 -0.15 0.58 -0.07 -2.65 0.00 0.00 178.83 176.44 1p3a h LEU 885 N -0.24 1.07 -0.48 -2.39 3.38 -0.52 0.33 115.31 116.45 1p3a h LEU 885 Ca 0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1p3a h LEU 885 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1p3a h LEU 885 CO -0.13 0.79 -0.21 0.00 0.09 0.00 0.00 178.44 178.99 1p3a h ALA 886 N 1.40 0.67 -0.12 1.53 0.00 -0.82 -2.16 119.26 119.76 1p3a h ALA 886 Ca 0.33 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1p3a h ALA 886 Cb -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1p3a h ALA 886 CO -0.07 0.66 -0.50 0.28 0.00 0.00 0.00 179.25 179.62 1p3a h VAL 887 N 0.84 1.36 0.00 0.00 2.07 -0.18 -3.21 116.25 117.13 1p3a h VAL 887 Ca 0.11 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1p3a h VAL 887 Cb 0.79 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1p3a h VAL 887 CO 0.07 0.55 0.00 0.03 0.02 0.00 0.00 177.57 178.23 1p3a h ARG 888 N 0.17 0.00 0.00 1.57 2.47 -0.97 -2.92 114.38 114.70 1p3a h ARG 888 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1p3a h ARG 888 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1p3a h ARG 888 CO 0.11 0.00 -0.36 0.09 0.56 0.00 0.00 179.97 180.36 1p3a n ASN 889 N -2.88 0.38 -4.63 7.04 3.02 -0.82 -4.78 115.26 112.60 1p3a n ASN 889 Ca 0.03 -0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 1p3a n ASN 889 Cb 0.40 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 1p3a n ASN 889 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3a s ASP 890 N -3.11 6.16 0.13 6.41 2.15 -1.12 -5.00 116.67 122.30 1p3a s ASP 890 Ca 0.11 0.17 -0.20 0.00 0.43 0.00 0.00 52.55 53.07 1p3a s ASP 890 Cb 0.18 -2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 40.63 1p3a s ASP 890 CO 0.65 -0.04 1.70 -0.33 -0.17 0.00 0.00 175.17 176.98 1p3a h GLU 891 N 7.89 0.01 -0.16 4.34 5.08 -1.86 0.17 114.58 130.04 1p3a h GLU 891 Ca -0.35 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.83 1p3a h GLU 891 Cb 1.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1p3a h GLU 891 CO 0.63 0.01 -0.62 0.93 -1.00 0.00 0.00 179.01 178.96 1p3a h GLU 892 N 0.01 0.58 -0.14 2.33 5.08 -1.94 -1.79 114.58 118.72 1p3a h GLU 892 Ca 0.11 -0.40 -0.20 0.00 -1.00 0.00 0.00 59.36 57.87 1p3a h GLU 892 Cb 0.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1p3a h GLU 892 CO -0.22 1.02 -0.72 -0.07 -1.00 0.00 0.00 179.01 178.02 1p3a h LEU 893 N 0.42 0.73 -0.93 1.33 3.38 -1.80 -0.23 115.31 118.22 1p3a h LEU 893 Ca -0.01 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1p3a h LEU 893 Cb 1.19 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1p3a h LEU 893 CO 0.12 1.23 0.59 -1.13 0.09 0.00 0.00 178.44 179.34 1p3a h ASN 894 N 0.43 0.96 -0.25 -0.43 -1.24 -0.51 -0.01 115.58 114.54 1p3a h ASN 894 Ca -0.03 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.83 1p3a h ASN 894 Cb 1.32 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1p3a h ASN 894 CO 0.14 0.63 -0.43 0.50 -1.29 0.00 0.00 177.43 176.98 1p3a h LYS 895 N 1.11 0.73 0.00 6.67 1.63 -1.13 -1.15 116.57 124.44 1p3a h LYS 895 Ca 0.39 -0.46 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1p3a h LYS 895 Cb 0.10 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1p3a h LYS 895 CO -0.15 1.08 -0.09 1.25 -3.45 0.00 0.00 179.45 178.09 1p3a h LEU 896 N 0.47 0.00 -4.20 5.20 5.85 -0.21 -2.79 115.31 119.62 1p3a h LEU 896 Ca 0.02 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.35 1p3a h LEU 896 Cb 1.03 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.68 1p3a h LEU 896 CO 0.10 0.09 -0.90 0.18 -0.34 0.00 0.00 178.44 177.56 1p3a n LEU 897 N -3.79 3.48 0.00 2.25 4.77 -0.09 -4.77 117.00 118.85 1p3a n LEU 897 Ca -0.02 -3.99 0.11 0.00 -0.03 0.00 0.00 56.01 52.07 1p3a n LEU 897 Cb 0.19 -0.07 0.64 0.00 -2.33 0.00 0.00 43.42 41.85 1p3a n LEU 897 CO 0.30 1.63 0.83 0.61 -1.33 0.00 0.00 177.39 179.43 1p3a n GLY 898 N -0.65 -0.68 0.70 -0.72 0.00 -0.44 -2.61 105.19 100.78 1p3a n GLY 898 Ca 0.28 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1p3a n GLY 898 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3a n ARG 899 N -1.00 0.16 -4.35 1.61 1.74 -1.26 -5.06 116.66 108.50 1p3a n ARG 899 Ca 0.16 -1.44 -0.31 0.00 -0.77 0.00 0.00 57.85 55.49 1p3a n ARG 899 Cb 0.07 -0.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 1p3a n ARG 899 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3a s VAL 900 N -0.35 3.68 -0.21 1.55 1.01 -1.07 -5.10 120.40 119.90 1p3a s VAL 900 Ca 0.12 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1p3a s VAL 900 Cb 0.13 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1p3a s VAL 900 CO -0.04 0.29 -0.15 -0.89 0.00 0.00 0.00 175.10 174.31 1p3a s THR 901 N -1.10 2.02 -0.38 3.92 2.01 -1.26 -5.03 115.64 115.83 1p3a s THR 901 Ca 0.19 -1.18 -0.23 0.00 0.31 0.00 0.00 61.69 60.78 1p3a s THR 901 Cb -0.11 -1.97 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1p3a s THR 901 CO 0.11 0.29 0.79 -0.63 -0.69 0.00 0.00 174.62 174.48 1p3a s ILE 902 N 1.25 4.72 0.66 1.82 1.01 -1.26 -5.00 121.20 124.39 1p3a s ILE 902 Ca -0.01 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.28 1p3a s ILE 902 Cb -0.16 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 1p3a s ILE 902 CO -0.09 -0.48 1.26 0.00 0.00 0.00 0.00 174.94 175.62 1p3a s ALA 903 N 3.14 2.32 -1.30 9.38 0.00 -1.26 -2.68 121.76 131.37 1p3a s ALA 903 Ca 0.31 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1p3a s ALA 903 Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1p3a s ALA 903 CO 0.18 -1.61 0.00 1.04 0.00 0.00 0.00 175.76 175.36 1p3a n GLN 904 N -2.09 -1.98 -0.03 0.00 1.13 -1.26 -4.84 117.38 108.31 1p3a n GLN 904 Ca 0.15 0.73 0.06 0.00 -1.94 0.00 0.00 57.00 56.00 1p3a n GLN 904 Cb 0.49 -5.31 -0.16 0.00 0.11 0.00 0.00 30.24 25.37 1p3a n GLN 904 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3a n GLY 905 N -0.79 -1.01 6.99 1.08 0.00 -1.09 -3.60 105.19 106.77 1p3a n GLY 905 Ca -0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1p3a n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3a n GLY 906 N 1.38 -1.38 3.49 -0.02 0.00 -1.26 -4.51 105.19 102.89 1p3a n GLY 906 Ca -0.11 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 1p3a n GLY 906 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3a s VAL 907 N 0.00 0.43 -0.01 1.61 -7.23 -1.26 -5.04 120.40 108.90 1p3a s VAL 907 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1p3a s VAL 907 Cb 0.00 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 1p3a s VAL 907 CO 0.00 0.00 0.46 -0.76 -0.31 0.00 0.00 175.10 174.49 1p3a s LEU 908 N -3.59 4.43 -0.04 1.32 1.43 -1.26 -4.98 118.68 115.99 1p3a s LEU 908 Ca 0.25 0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.04 1p3a s LEU 908 Cb 0.02 -2.68 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 1p3a s LEU 908 CO 0.17 0.23 2.05 -2.84 0.23 0.00 0.00 176.35 176.19 1p3a s PRO 909 N -0.63 3.82 -0.26 1.29 0.02 -1.26 -4.92 135.00 133.06 1p3a s PRO 909 Ca 0.25 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.67 1p3a s PRO 909 Cb -0.17 -4.23 0.14 0.00 0.02 0.00 0.00 34.50 30.26 1p3a s PRO 909 CO 0.14 -1.32 0.46 1.21 -0.33 0.00 0.00 177.00 177.16 1p3a s ASN 910 N 5.67 -0.36 -0.17 2.53 2.47 -1.26 -5.13 114.94 118.68 1p3a s ASN 910 Ca 0.92 0.60 -0.01 0.00 0.42 0.00 0.00 52.86 54.79 1p3a s ASN 910 Cb -0.40 1.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.92 1p3a s ASN 910 CO 0.40 -0.27 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.73 1p3a s ILE 911 N 2.66 2.70 0.45 -5.21 1.01 -1.26 -5.09 121.20 116.46 1p3a s ILE 911 Ca 0.12 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 1p3a s ILE 911 Cb -0.15 -2.16 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1p3a s ILE 911 CO -0.17 0.50 1.20 0.00 0.00 0.00 0.00 174.94 176.47 1p3a n GLN 912 N 4.34 1.70 0.11 2.79 1.13 -1.26 -4.92 117.38 121.27 1p3a n GLN 912 Ca -0.19 0.61 -0.13 0.00 -1.94 0.00 0.00 57.00 55.35 1p3a n GLN 912 Cb 0.51 -2.32 -0.07 0.00 0.11 0.00 0.00 30.24 28.47 1p3a n GLN 912 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1p3a h SER 913 N 1.76 -0.32 0.00 1.08 0.02 -1.98 -2.90 113.55 111.21 1p3a h SER 913 Ca -0.48 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1p3a h SER 913 Cb 1.31 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1p3a h SER 913 CO 0.58 -0.19 0.09 1.33 -1.14 0.00 0.00 176.83 177.50 1p3a n VAL 914 N -5.24 0.89 -0.00 2.27 0.24 -1.26 -0.76 118.33 114.46 1p3a n VAL 914 Ca -0.08 0.31 -0.18 0.00 -2.04 0.00 0.00 64.34 62.36 1p3a n VAL 914 Cb 0.16 -1.31 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 1p3a n VAL 914 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1p3a n LEU 915 N -1.17 2.12 -4.73 1.34 4.77 -1.09 -4.91 117.00 113.34 1p3a n LEU 915 Ca 0.00 0.27 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 1p3a n LEU 915 Cb 0.09 -0.74 0.05 0.00 -2.33 0.00 0.00 43.42 40.49 1p3a n LEU 915 CO 0.00 0.72 0.91 0.18 -1.33 0.00 0.00 177.39 177.87 1p3a n LEU 916 N -3.35 5.57 0.00 2.23 4.77 0.06 -5.00 117.00 121.28 1p3a n LEU 916 Ca -0.28 0.90 -0.18 0.00 -0.03 0.00 0.00 56.01 56.43 1p3a n LEU 916 Cb 1.05 -1.55 0.12 0.00 -2.33 0.00 0.00 43.42 40.71 1p3a n LEU 916 CO 0.44 -0.87 0.53 -0.81 -1.33 0.00 0.00 177.39 175.35 1p3a n PRO 917 N -1.37 -0.75 0.00 3.23 -0.04 -1.26 -4.93 135.00 129.87 1p3a n PRO 917 Ca 0.13 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1p3a n PRO 917 Cb 0.46 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1p3a n PRO 917 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p3a n LYS 918 N -2.71 0.00 -3.83 0.54 5.02 -1.26 -4.96 118.16 110.96 1p3a n LYS 918 Ca 0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 1p3a n LYS 918 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 1p3a n LYS 918 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1p3a s LYS 919 N 0.00 1.90 0.00 1.97 0.00 -1.26 -5.17 119.74 117.18 1p3a s LYS 919 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.82 1p3a s LYS 919 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.41 1p3a s LYS 919 CO 0.00 -0.88 0.00 2.41 0.00 0.00 0.00 175.35 176.88