#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3b s ALA 814 N 0.00 1.64 -0.13 0.58 0.00 -1.26 -5.11 121.76 117.48 1p3b s ALA 814 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 1p3b s ALA 814 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1p3b s ALA 814 CO 0.00 0.36 0.55 0.21 0.00 0.00 0.00 175.76 176.88 1p3b s LYS 815 N -0.27 4.33 0.72 0.00 2.20 -1.26 -5.06 119.74 120.40 1p3b s LYS 815 Ca 0.03 0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 56.06 1p3b s LYS 815 Cb -0.09 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1p3b s LYS 815 CO 0.01 0.05 1.12 0.95 -0.36 0.00 0.00 175.35 177.12 1p3b s THR 816 N 0.95 3.04 0.23 3.43 -4.23 -1.26 -4.84 115.64 112.96 1p3b s THR 816 Ca 0.28 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 1p3b s THR 816 Cb -0.16 -2.90 0.08 0.00 1.34 0.00 0.00 72.50 70.86 1p3b s THR 816 CO 0.12 -0.35 1.69 0.03 -0.54 0.00 0.00 174.62 175.57 1p3b h ARG 817 N -0.52 0.85 -0.97 3.99 3.08 -1.98 -0.60 114.38 118.23 1p3b h ARG 817 Ca -0.46 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 59.37 1p3b h ARG 817 Cb 1.25 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 1p3b h ARG 817 CO 0.52 0.90 0.63 0.77 -1.07 0.00 0.00 179.97 181.72 1p3b h SER 818 N 0.77 1.04 -0.01 7.04 0.02 -1.86 -0.15 113.55 120.40 1p3b h SER 818 Ca 0.13 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1p3b h SER 818 Cb 0.57 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1p3b h SER 818 CO 0.03 0.70 0.00 -1.28 -1.14 0.00 0.00 176.83 175.14 1p3b h SER 819 N 1.19 0.01 -0.08 3.07 0.87 -1.49 -0.09 113.55 117.03 1p3b h SER 819 Ca 0.40 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1p3b h SER 819 Cb 0.06 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1p3b h SER 819 CO -0.13 0.15 0.08 0.03 -0.53 0.00 0.00 176.83 176.43 1p3b h ARG 820 N -0.13 0.00 -0.01 2.24 3.08 -0.32 -1.78 114.38 117.47 1p3b h ARG 820 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p3b h ARG 820 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1p3b h ARG 820 CO -0.00 0.00 -0.37 0.00 -1.07 0.00 0.00 179.97 178.53 1p3b n ALA 821 N -2.39 3.32 -2.92 0.04 0.00 -0.15 -4.96 120.51 113.45 1p3b n ALA 821 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 1p3b n ALA 821 Cb 0.19 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.66 1p3b n ALA 821 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p3b n GLY 822 N 1.38 0.12 3.28 0.00 0.00 -0.35 -5.03 105.19 104.59 1p3b n GLY 822 Ca 0.11 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1p3b n GLY 822 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p3b s LEU 823 N -4.12 2.19 0.05 0.99 1.43 -0.19 -5.03 118.68 113.99 1p3b s LEU 823 Ca 0.25 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1p3b s LEU 823 Cb -0.11 -1.05 -0.27 0.00 0.03 0.00 0.00 46.19 44.79 1p3b s LEU 823 CO 0.31 0.17 1.02 1.56 0.23 0.00 0.00 176.35 179.65 1p3b h GLN 824 N 4.72 0.24 -7.06 1.70 1.08 -1.96 -3.40 115.11 110.43 1p3b h GLN 824 Ca -0.44 -0.41 -0.49 0.00 -1.45 0.00 0.00 58.65 55.87 1p3b h GLN 824 Cb 1.16 0.15 0.05 0.00 -0.05 0.00 0.00 27.48 28.79 1p3b h GLN 824 CO 0.43 1.14 0.41 -0.06 -0.95 0.00 0.00 178.83 179.81 1p3b s PHE 825 N -2.64 2.89 -0.73 2.96 0.40 -1.26 -4.96 117.98 114.63 1p3b s PHE 825 Ca -0.06 1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 57.58 1p3b s PHE 825 Cb 0.07 -3.19 -0.06 0.00 0.51 0.00 0.00 43.02 40.35 1p3b s PHE 825 CO 0.87 -1.15 2.09 -2.14 0.70 0.00 0.00 175.22 175.58 1p3b s PRO 826 N -3.13 2.31 0.24 0.24 0.02 -1.26 -4.72 135.00 128.69 1p3b s PRO 826 Ca 0.68 0.41 -0.06 0.00 0.02 0.00 0.00 61.00 62.04 1p3b s PRO 826 Cb -0.21 -4.73 0.23 0.00 0.02 0.00 0.00 34.50 29.80 1p3b s PRO 826 CO 0.25 -3.39 1.84 0.28 -0.33 0.00 0.00 177.00 175.65 1p3b h VAL 827 N 7.31 1.26 -0.19 3.83 2.07 -1.90 -1.55 116.25 127.08 1p3b h VAL 827 Ca -0.08 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1p3b h VAL 827 Cb 1.09 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1p3b h VAL 827 CO 1.16 0.30 0.03 1.23 0.02 0.00 0.00 177.57 180.32 1p3b h GLY 828 N 1.22 0.33 0.86 2.17 0.00 -1.94 -0.31 103.07 105.40 1p3b h GLY 828 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1p3b h GLY 828 CO -0.04 0.20 0.09 -0.09 0.00 0.00 0.00 176.54 176.70 1p3b h ARG 829 N 0.10 0.19 0.02 4.80 9.65 -1.94 -1.80 114.38 125.40 1p3b h ARG 829 Ca 0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1p3b h ARG 829 Cb 0.30 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1p3b h ARG 829 CO 0.00 0.13 -0.01 0.28 2.80 0.00 0.00 179.97 183.17 1p3b h VAL 830 N 0.20 1.00 -0.90 0.20 2.07 -1.23 0.42 116.25 118.01 1p3b h VAL 830 Ca 0.09 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.71 1p3b h VAL 830 Cb 0.05 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1p3b h VAL 830 CO -0.08 0.02 0.48 -0.74 0.02 0.00 0.00 177.57 177.26 1p3b h HIS 831 N -0.06 0.84 -0.08 1.57 -0.00 -0.85 0.90 115.15 117.47 1p3b h HIS 831 Ca -0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1p3b h HIS 831 Cb 0.05 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1p3b h HIS 831 CO -0.07 0.17 0.03 -0.09 -0.00 0.00 0.00 177.93 177.97 1p3b h ARG 832 N 0.64 0.13 -0.10 5.26 2.43 -0.75 -2.73 114.38 119.25 1p3b h ARG 832 Ca 0.51 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.63 1p3b h ARG 832 Cb 0.77 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1p3b h ARG 832 CO -0.39 0.28 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.27 1p3b h LEU 833 N -0.05 0.12 -1.23 3.80 3.38 0.70 -1.23 115.31 120.80 1p3b h LEU 833 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1p3b h LEU 833 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1p3b h LEU 833 CO -0.00 0.16 -0.13 -0.07 0.09 0.00 0.00 178.44 178.50 1p3b h LEU 834 N 0.14 0.36 0.02 1.67 3.38 -0.59 -0.57 115.31 119.71 1p3b h LEU 834 Ca 0.03 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1p3b h LEU 834 Cb 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1p3b h LEU 834 CO 0.00 0.52 -0.51 0.03 0.09 0.00 0.00 178.44 178.57 1p3b h ARG 835 N 0.35 0.31 0.00 1.13 3.08 -1.07 -3.20 114.38 114.97 1p3b h ARG 835 Ca 0.07 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1p3b h ARG 835 Cb 0.44 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1p3b h ARG 835 CO 0.03 1.07 -0.30 1.57 -1.07 0.00 0.00 179.97 181.26 1p3b h LYS 836 N -0.29 0.00 0.00 0.04 2.10 -1.36 -1.39 116.57 115.67 1p3b h LYS 836 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1p3b h LYS 836 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1p3b h LYS 836 CO 0.10 0.30 0.00 0.41 -2.00 0.00 0.00 179.45 178.26 1p3b n GLY 837 N 0.12 -1.15 3.67 0.07 0.00 -0.23 -4.90 105.19 102.76 1p3b n GLY 837 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1p3b n GLY 837 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p3b n ASN 838 N -1.80 -5.36 -0.23 1.61 5.15 -0.53 -4.88 115.26 109.22 1p3b n ASN 838 Ca 0.03 -0.82 0.09 0.00 -0.60 0.00 0.00 54.58 53.28 1p3b n ASN 838 Cb 0.21 -2.36 -0.05 0.00 -0.53 0.00 0.00 39.78 37.05 1p3b n ASN 838 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1p3b n TYR 839 N -2.61 0.00 -3.62 1.20 4.02 -1.25 -5.00 117.16 109.90 1p3b n TYR 839 Ca -0.25 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.62 1p3b n TYR 839 Cb 0.65 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.96 1p3b n TYR 839 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p3b s ALA 840 N -2.41 -2.08 0.08 -0.72 0.00 -1.26 -5.05 121.76 110.33 1p3b s ALA 840 Ca 0.11 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1p3b s ALA 840 Cb 0.14 0.25 -0.13 0.00 0.00 0.00 0.00 23.12 23.38 1p3b s ALA 840 CO 0.60 -0.88 1.67 0.93 0.00 0.00 0.00 175.76 178.08 1p3b h GLU 841 N 2.00 0.09 -5.40 0.00 4.39 -1.99 -3.45 114.58 110.22 1p3b h GLU 841 Ca -0.22 -0.01 -0.41 0.00 0.34 0.00 0.00 59.36 59.05 1p3b h GLU 841 Cb 1.20 -0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 29.64 1p3b h GLU 841 CO 0.26 0.15 -0.76 -0.98 -1.16 0.00 0.00 179.01 176.52 1p3b s ARG 842 N -5.84 0.97 -0.24 2.33 1.70 -1.26 -5.10 118.95 111.50 1p3b s ARG 842 Ca -0.13 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1p3b s ARG 842 Cb 0.06 -0.88 0.04 0.00 -0.57 0.00 0.00 34.95 33.60 1p3b s ARG 842 CO 0.68 0.18 -0.10 0.08 -1.08 0.00 0.00 175.30 175.05 1p3b s VAL 843 N -1.91 2.52 0.85 4.99 1.01 -1.26 -5.09 120.40 121.53 1p3b s VAL 843 Ca 0.06 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 1p3b s VAL 843 Cb -0.06 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.11 1p3b s VAL 843 CO 0.03 0.17 1.14 -0.83 0.00 0.00 0.00 175.10 175.61 1p3b s GLY 844 N 1.25 1.77 0.42 4.51 0.00 -1.26 -4.92 107.32 109.09 1p3b s GLY 844 Ca -0.02 0.55 0.10 0.00 0.00 0.00 0.00 44.72 45.34 1p3b s GLY 844 CO -0.06 0.94 2.01 0.00 0.00 0.00 0.00 173.10 175.99 1p3b h ALA 845 N -1.49 1.67 -0.15 3.20 0.00 -2.04 -2.95 119.26 117.51 1p3b h ALA 845 Ca -0.44 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1p3b h ALA 845 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1p3b h ALA 845 CO 0.45 0.25 -0.55 0.78 0.00 0.00 0.00 179.25 180.19 1p3b h GLY 846 N 0.53 0.50 -0.43 0.00 0.00 -2.01 -3.35 103.07 98.30 1p3b h GLY 846 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.87 1p3b h GLY 846 CO 0.00 0.52 -0.33 0.00 0.00 0.00 0.00 176.54 176.72 1p3b h ALA 847 N 1.06 -0.43 -0.97 3.60 0.00 -1.89 0.19 119.26 120.82 1p3b h ALA 847 Ca 0.01 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1p3b h ALA 847 Cb 1.07 1.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 1p3b h ALA 847 CO 0.10 -0.63 0.62 -1.00 0.00 0.00 0.00 179.25 178.33 1p3b h PRO 848 N -0.10 1.04 0.84 0.00 0.13 -1.74 0.42 132.00 132.59 1p3b h PRO 848 Ca 0.07 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1p3b h PRO 848 Cb 0.28 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.18 1p3b h PRO 848 CO -0.46 0.69 -0.49 0.28 -0.23 0.00 0.00 178.00 177.79 1p3b h VAL 849 N 1.07 0.00 -0.24 1.56 2.07 -1.26 -0.59 116.25 118.87 1p3b h VAL 849 Ca 0.44 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.02 1p3b h VAL 849 Cb 0.28 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 1p3b h VAL 849 CO -0.21 0.00 -0.12 0.22 0.02 0.00 0.00 177.57 177.48 1p3b h TYR 850 N -1.24 -0.29 0.04 1.57 3.20 -0.36 -1.45 116.97 118.44 1p3b h TYR 850 Ca -0.11 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1p3b h TYR 850 Cb 0.99 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1p3b h TYR 850 CO -0.09 -0.18 -0.10 1.25 -1.64 0.00 0.00 178.16 177.40 1p3b h LEU 851 N -0.09 -0.28 -0.74 2.82 5.85 -0.85 -1.01 115.31 121.01 1p3b h LEU 851 Ca 0.13 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1p3b h LEU 851 Cb 0.29 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1p3b h LEU 851 CO -0.30 -0.15 0.35 0.00 -0.34 0.00 0.00 178.44 178.01 1p3b h ALA 852 N 0.74 1.04 0.18 1.25 0.00 -0.88 0.21 119.26 121.80 1p3b h ALA 852 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p3b h ALA 852 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1p3b h ALA 852 CO -0.07 -0.09 -0.35 0.00 0.00 0.00 0.00 179.25 178.74 1p3b h ALA 853 N 1.47 -0.92 -0.67 0.00 0.00 -0.45 0.73 119.26 119.42 1p3b h ALA 853 Ca 0.38 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.34 1p3b h ALA 853 Cb 0.46 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 1p3b h ALA 853 CO -0.31 -0.98 -0.03 0.28 0.00 0.00 0.00 179.25 178.21 1p3b h VAL 854 N -0.57 0.41 -0.41 0.00 2.07 -0.47 0.45 116.25 117.73 1p3b h VAL 854 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1p3b h VAL 854 Cb 0.54 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1p3b h VAL 854 CO -0.13 0.02 0.27 -0.07 0.02 0.00 0.00 177.57 177.67 1p3b h LEU 855 N 0.09 0.47 -0.82 2.57 3.38 0.01 0.12 115.31 121.13 1p3b h LEU 855 Ca 0.35 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1p3b h LEU 855 Cb 0.59 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1p3b h LEU 855 CO -0.60 0.34 0.12 -0.08 0.09 0.00 0.00 178.44 178.31 1p3b h GLU 856 N 0.55 1.01 0.61 1.13 4.81 0.22 -2.24 114.58 120.66 1p3b h GLU 856 Ca 0.15 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1p3b h GLU 856 Cb -0.06 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.19 1p3b h GLU 856 CO -0.03 0.92 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.95 1p3b h TYR 857 N 0.95 -0.76 -0.77 0.92 3.20 0.40 -2.48 116.97 118.44 1p3b h TYR 857 Ca 0.20 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.18 1p3b h TYR 857 Cb 0.39 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.82 1p3b h TYR 857 CO 0.03 -0.45 0.36 -0.07 -1.64 0.00 0.00 178.16 176.38 1p3b h LEU 858 N -0.88 0.41 -1.34 2.82 3.38 -0.90 -0.07 115.31 118.74 1p3b h LEU 858 Ca -0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1p3b h LEU 858 Cb 0.65 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1p3b h LEU 858 CO 0.14 0.19 -0.23 0.71 0.09 0.00 0.00 178.44 179.33 1p3b h THR 859 N 0.54 0.67 -0.05 0.22 1.35 -1.35 -2.26 112.91 112.04 1p3b h THR 859 Ca 0.41 -1.03 -0.24 0.00 -0.55 0.00 0.00 66.41 64.99 1p3b h THR 859 Cb 0.56 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1p3b h THR 859 CO -0.35 0.23 -0.94 0.00 -0.25 0.00 0.00 175.52 174.21 1p3b h ALA 860 N 1.77 0.24 -0.53 6.62 0.00 -0.60 -1.95 119.26 124.81 1p3b h ALA 860 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1p3b h ALA 860 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1p3b h ALA 860 CO 0.03 0.71 0.30 1.49 0.00 0.00 0.00 179.25 181.78 1p3b h GLU 861 N 0.41 0.73 -0.14 0.00 4.57 -0.67 -0.19 114.58 119.30 1p3b h GLU 861 Ca -0.10 -0.08 -0.20 0.00 -1.18 0.00 0.00 59.36 57.80 1p3b h GLU 861 Cb 1.58 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 30.03 1p3b h GLU 861 CO 0.18 0.56 -0.70 0.97 -1.18 0.00 0.00 179.01 178.84 1p3b h ILE 862 N 0.71 1.30 -0.31 2.32 2.10 -1.46 -2.99 117.51 119.18 1p3b h ILE 862 Ca 0.19 -1.93 -0.04 0.00 1.08 0.00 0.00 64.86 64.16 1p3b h ILE 862 Cb 0.03 2.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.79 1p3b h ILE 862 CO -0.03 0.60 0.04 -0.07 -1.08 0.00 0.00 178.15 177.61 1p3b h LEU 863 N 0.41 0.43 0.84 2.19 3.38 -1.21 0.35 115.31 121.69 1p3b h LEU 863 Ca -0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1p3b h LEU 863 Cb 1.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1p3b h LEU 863 CO 0.14 0.46 -0.50 -0.08 0.09 0.00 0.00 178.44 178.56 1p3b h GLU 864 N 0.45 -1.20 -0.98 1.13 4.57 -0.96 -0.73 114.58 116.87 1p3b h GLU 864 Ca 0.10 0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1p3b h GLU 864 Cb 0.24 0.27 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 1p3b h GLU 864 CO 0.00 -0.80 0.63 -0.07 -1.18 0.00 0.00 179.01 177.59 1p3b h LEU 865 N -1.24 1.01 0.65 1.64 3.38 -1.29 -2.67 115.31 116.78 1p3b h LEU 865 Ca -0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1p3b h LEU 865 Cb 0.99 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1p3b h LEU 865 CO 0.13 0.65 -0.31 0.00 0.09 0.00 0.00 178.44 178.99 1p3b h ALA 866 N 1.44 -0.87 -0.94 1.53 0.00 -0.20 -2.37 119.26 117.86 1p3b h ALA 866 Ca 0.42 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.39 1p3b h ALA 866 Cb 0.16 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1p3b h ALA 866 CO -0.17 -0.91 0.74 0.78 0.00 0.00 0.00 179.25 179.68 1p3b h GLY 867 N -1.02 0.00 0.55 0.00 0.00 -0.99 0.15 103.07 101.76 1p3b h GLY 867 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1p3b h GLY 867 CO 0.15 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 180.06 1p3b h ASN 868 N 0.00 0.11 -0.94 0.19 2.35 -1.10 -0.30 115.58 115.90 1p3b h ASN 868 Ca 0.45 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1p3b h ASN 868 Cb 1.91 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 40.18 1p3b h ASN 868 CO -0.00 0.62 0.59 0.00 -1.65 0.00 0.00 177.43 176.98 1p3b h ALA 869 N 0.50 1.30 -0.41 -0.83 0.00 -0.33 0.69 119.26 120.18 1p3b h ALA 869 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1p3b h ALA 869 Cb 0.59 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1p3b h ALA 869 CO 0.01 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.75 1p3b h ALA 870 N 1.44 0.47 0.10 0.00 0.00 -0.73 -1.79 119.26 118.76 1p3b h ALA 870 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1p3b h ALA 870 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1p3b h ALA 870 CO -0.18 -0.26 -0.10 -0.09 0.00 0.00 0.00 179.25 178.62 1p3b h ARG 871 N 0.29 -0.21 0.00 0.00 2.43 0.16 -0.89 114.38 116.16 1p3b h ARG 871 Ca 0.19 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1p3b h ARG 871 Cb 0.19 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1p3b h ARG 871 CO -0.20 -0.14 0.14 -0.25 -1.51 0.00 0.00 179.97 178.01 1p3b n ASP 872 N -5.21 0.30 -0.75 -3.80 8.00 0.19 -0.74 116.55 114.54 1p3b n ASP 872 Ca -0.07 0.57 0.03 0.00 0.71 0.00 0.00 54.79 56.03 1p3b n ASP 872 Cb 0.14 -0.57 0.20 0.00 -0.02 0.00 0.00 41.12 40.87 1p3b n ASP 872 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1p3b n ASN 873 N -1.90 2.16 -1.98 -2.24 3.02 -0.57 -4.94 115.26 108.80 1p3b n ASN 873 Ca -0.01 -3.72 -0.09 0.00 -0.03 0.00 0.00 54.58 50.73 1p3b n ASN 873 Cb 0.16 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1p3b n ASN 873 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p3b n LYS 874 N -1.13 -1.95 -3.95 3.52 5.02 0.08 -4.93 118.16 114.82 1p3b n LYS 874 Ca 0.24 0.46 -0.25 0.00 -2.02 0.00 0.00 58.31 56.74 1p3b n LYS 874 Cb 0.82 -4.87 -0.03 0.00 -0.02 0.00 0.00 35.03 30.93 1p3b n LYS 874 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1p3b s LYS 875 N -4.12 3.43 -0.08 1.97 -0.14 -0.45 -5.03 119.74 115.34 1p3b s LYS 875 Ca 0.00 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.04 1p3b s LYS 875 Cb 0.00 -2.95 -0.09 0.00 -1.68 0.00 0.00 37.83 33.11 1p3b s LYS 875 CO 0.00 0.50 0.01 2.41 -0.76 0.00 0.00 175.35 177.51 1p3b n THR 876 N -0.71 0.53 -3.70 2.17 -1.04 -1.26 -4.05 114.28 106.22 1p3b n THR 876 Ca -0.07 -0.31 -0.36 0.00 -2.04 0.00 0.00 64.05 61.26 1p3b n THR 876 Cb 0.55 -0.80 -0.10 0.00 -1.82 0.00 0.00 70.33 68.15 1p3b n THR 876 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1p3b s ARG 877 N -2.19 4.01 0.45 -2.82 3.52 -1.26 -5.04 118.95 115.62 1p3b s ARG 877 Ca -0.05 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.01 1p3b s ARG 877 Cb 0.02 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 1p3b s ARG 877 CO 0.30 0.04 1.21 0.42 -0.81 0.00 0.00 175.30 176.46 1p3b s ILE 878 N 1.11 2.91 0.32 4.11 1.01 -1.26 -5.00 121.20 124.40 1p3b s ILE 878 Ca 0.07 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1p3b s ILE 878 Cb -0.14 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1p3b s ILE 878 CO 0.05 0.03 0.13 0.27 0.00 0.00 0.00 174.94 175.42 1p3b s ILE 879 N -1.44 0.53 0.29 2.92 -4.36 -1.26 -5.04 121.20 112.84 1p3b s ILE 879 Ca 0.62 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 1p3b s ILE 879 Cb -0.32 -2.54 0.29 0.00 1.25 0.00 0.00 42.46 41.14 1p3b s ILE 879 CO 0.40 0.00 1.87 -0.65 0.24 0.00 0.00 174.94 176.79 1p3b h PRO 880 N 2.14 0.98 -0.98 0.37 0.11 -1.90 -1.55 132.00 131.18 1p3b h PRO 880 Ca -0.35 -0.06 0.17 0.00 0.11 0.00 0.00 66.00 65.87 1p3b h PRO 880 Cb 1.25 -0.22 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1p3b h PRO 880 CO 0.56 0.65 0.61 -0.09 -0.21 0.00 0.00 178.00 179.52 1p3b h ARG 881 N 1.01 0.73 -0.51 1.05 9.65 -1.81 0.26 114.38 124.75 1p3b h ARG 881 Ca 0.46 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 59.17 1p3b h ARG 881 Cb 0.39 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1p3b h ARG 881 CO -0.21 0.48 -0.16 0.45 2.80 0.00 0.00 179.97 183.33 1p3b h HIS 882 N 0.75 1.13 -0.25 2.20 3.86 -1.64 0.16 115.15 121.36 1p3b h HIS 882 Ca 0.53 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1p3b h HIS 882 Cb 0.84 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1p3b h HIS 882 CO -0.00 1.07 0.02 -0.07 0.86 0.00 0.00 177.93 179.81 1p3b h LEU 883 N 0.88 0.41 -0.06 2.43 3.38 -0.68 0.45 115.31 122.13 1p3b h LEU 883 Ca 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1p3b h LEU 883 Cb 0.73 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1p3b h LEU 883 CO 0.06 0.59 0.04 -0.61 0.09 0.00 0.00 178.44 178.60 1p3b h GLN 884 N 0.21 0.08 -0.00 1.13 5.75 -0.46 -0.44 115.11 121.38 1p3b h GLN 884 Ca 0.07 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1p3b h GLN 884 Cb 0.37 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1p3b h GLN 884 CO 0.01 0.08 -0.14 -0.07 -2.65 0.00 0.00 178.83 176.06 1p3b h LEU 885 N 0.05 -0.40 -0.50 -2.39 3.38 -0.50 -0.05 115.31 114.91 1p3b h LEU 885 Ca 0.02 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1p3b h LEU 885 Cb 0.02 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 1p3b h LEU 885 CO -0.00 -0.19 -0.14 0.00 0.09 0.00 0.00 178.44 178.20 1p3b h ALA 886 N 0.73 0.31 0.22 1.53 0.00 0.25 -2.36 119.26 119.94 1p3b h ALA 886 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1p3b h ALA 886 Cb 0.29 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1p3b h ALA 886 CO -0.14 -0.45 -0.11 0.28 0.00 0.00 0.00 179.25 178.84 1p3b h VAL 887 N -0.01 0.80 0.00 0.00 2.07 -0.55 -3.02 116.25 115.53 1p3b h VAL 887 Ca 0.24 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1p3b h VAL 887 Cb 0.38 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1p3b h VAL 887 CO -0.52 0.17 0.00 0.54 0.02 0.00 0.00 177.57 177.78 1p3b n ARG 888 N -5.02 0.07 0.02 1.57 3.00 -0.08 -1.88 116.66 114.34 1p3b n ARG 888 Ca -0.09 0.30 0.11 0.00 -0.01 0.00 0.00 57.85 58.17 1p3b n ARG 888 Cb 0.26 -1.63 0.07 0.00 0.00 0.00 0.00 32.46 31.16 1p3b n ARG 888 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1p3b n ASN 889 N -1.77 0.65 -4.62 0.55 3.02 -0.89 -4.80 115.26 107.40 1p3b n ASN 889 Ca 0.03 -0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 53.90 1p3b n ASN 889 Cb 0.20 0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 39.92 1p3b n ASN 889 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1p3b s ASP 890 N -3.55 5.66 0.09 6.41 2.15 -0.79 -5.02 116.67 121.63 1p3b s ASP 890 Ca 0.06 0.06 -0.34 0.00 0.43 0.00 0.00 52.55 52.76 1p3b s ASP 890 Cb 0.15 -1.98 -0.15 0.00 -0.30 0.00 0.00 42.92 40.64 1p3b s ASP 890 CO 0.78 0.14 1.57 -0.08 -0.17 0.00 0.00 175.17 177.41 1p3b h GLU 891 N 6.95 -0.87 -0.26 4.34 4.81 -1.87 -0.25 114.58 127.43 1p3b h GLU 891 Ca -0.37 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1p3b h GLU 891 Cb 1.17 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1p3b h GLU 891 CO 0.69 -0.58 -0.04 0.93 -0.73 0.00 0.00 179.01 179.28 1p3b h GLU 892 N -0.90 0.49 -0.78 1.92 5.08 -1.95 -0.43 114.58 118.01 1p3b h GLU 892 Ca -0.04 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1p3b h GLU 892 Cb 0.81 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1p3b h GLU 892 CO -0.11 0.69 0.48 -0.07 -1.00 0.00 0.00 179.01 178.99 1p3b h LEU 893 N 0.25 0.93 -0.73 1.33 3.38 -1.82 0.57 115.31 119.21 1p3b h LEU 893 Ca 0.07 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1p3b h LEU 893 Cb 0.49 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1p3b h LEU 893 CO 0.02 0.71 0.15 -1.13 0.09 0.00 0.00 178.44 178.28 1p3b h ASN 894 N 1.07 1.06 -0.12 -0.43 -1.24 -0.75 -1.26 115.58 113.92 1p3b h ASN 894 Ca 0.28 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1p3b h ASN 894 Cb -0.06 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.71 1p3b h ASN 894 CO -0.05 1.03 -0.02 0.50 -1.29 0.00 0.00 177.43 177.59 1p3b h LYS 895 N 1.06 0.22 -0.22 6.67 1.63 0.16 -1.57 116.57 124.52 1p3b h LYS 895 Ca 0.22 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1p3b h LYS 895 Cb 0.39 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1p3b h LYS 895 CO 0.01 0.50 0.19 1.25 -3.45 0.00 0.00 179.45 177.95 1p3b h LEU 896 N -0.08 0.00 -3.33 5.20 5.85 0.37 -1.67 115.31 121.65 1p3b h LEU 896 Ca 0.03 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1p3b h LEU 896 Cb 0.42 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.26 1p3b h LEU 896 CO 0.01 0.00 -0.64 0.18 -0.34 0.00 0.00 178.44 177.64 1p3b n LEU 897 N -4.14 3.57 0.27 2.25 4.77 -0.50 -4.81 117.00 118.42 1p3b n LEU 897 Ca 0.02 -4.21 0.11 0.00 -0.03 0.00 0.00 56.01 51.90 1p3b n LEU 897 Cb 0.33 -0.43 0.73 0.00 -2.33 0.00 0.00 43.42 41.72 1p3b n LEU 897 CO 0.32 1.68 1.05 1.23 -1.33 0.00 0.00 177.39 180.33 1p3b h GLY 898 N 1.50 0.00 -2.41 -0.72 0.00 -0.29 -2.04 103.07 99.11 1p3b h GLY 898 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.20 1p3b h GLY 898 CO 0.31 0.00 -0.26 0.54 0.00 0.00 0.00 176.54 177.13 1p3b n ARG 899 N -4.12 2.27 -5.14 4.80 1.74 -1.26 -4.99 116.66 109.95 1p3b n ARG 899 Ca -0.03 -3.46 -0.31 0.00 -0.77 0.00 0.00 57.85 53.29 1p3b n ARG 899 Cb 0.13 -1.93 -0.15 0.00 -1.02 0.00 0.00 32.46 29.50 1p3b n ARG 899 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p3b s VAL 900 N -3.69 2.26 -0.16 1.55 1.01 -0.77 -5.12 120.40 115.47 1p3b s VAL 900 Ca 0.47 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1p3b s VAL 900 Cb 0.41 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1p3b s VAL 900 CO -0.01 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.60 1p3b s THR 901 N -0.68 2.84 -0.45 3.92 2.01 -1.26 -5.04 115.64 116.99 1p3b s THR 901 Ca 0.11 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1p3b s THR 901 Cb -0.10 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.24 1p3b s THR 901 CO 0.00 0.50 0.38 -0.63 -0.69 0.00 0.00 174.62 174.19 1p3b s ILE 902 N 0.85 5.20 0.74 1.82 1.01 -1.26 -5.05 121.20 124.52 1p3b s ILE 902 Ca -0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1p3b s ILE 902 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1p3b s ILE 902 CO -0.00 -0.49 0.54 0.00 0.00 0.00 0.00 174.94 174.99 1p3b n ALA 903 N 5.30 -1.56 -4.08 9.38 0.00 -1.26 -2.36 120.51 125.93 1p3b n ALA 903 Ca -0.11 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 1p3b n ALA 903 Cb 0.45 -1.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 1p3b n ALA 903 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p3b n GLN 904 N -0.87 -2.21 -0.00 0.00 1.13 -1.26 -4.82 117.38 109.35 1p3b n GLN 904 Ca 0.10 0.26 0.05 0.00 -1.94 0.00 0.00 57.00 55.47 1p3b n GLN 904 Cb 0.50 -4.91 -0.06 0.00 0.11 0.00 0.00 30.24 25.88 1p3b n GLN 904 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3b n GLY 905 N -1.15 -0.01 7.00 1.08 0.00 -0.99 -3.51 105.19 107.60 1p3b n GLY 905 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1p3b n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3b n GLY 906 N 1.26 0.60 3.23 -0.02 0.00 -1.26 -4.60 105.19 104.40 1p3b n GLY 906 Ca 0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1p3b n GLY 906 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p3b s VAL 907 N 0.00 0.23 0.08 1.61 -7.23 -1.26 -5.05 120.40 108.79 1p3b s VAL 907 Ca 0.00 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 1p3b s VAL 907 Cb 0.00 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 1p3b s VAL 907 CO 0.00 -0.08 0.94 -0.76 -0.31 0.00 0.00 175.10 174.89 1p3b s LEU 908 N -3.20 4.47 0.17 1.32 1.43 -1.26 -4.97 118.68 116.63 1p3b s LEU 908 Ca 0.36 1.73 -0.33 0.00 -1.03 0.00 0.00 54.13 54.86 1p3b s LEU 908 Cb 0.07 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 1p3b s LEU 908 CO 0.11 -0.09 1.70 -2.65 0.23 0.00 0.00 176.35 175.64 1p3b n PRO 909 N 2.99 2.53 -3.59 1.29 -0.02 -1.26 -4.94 135.00 132.01 1p3b n PRO 909 Ca 0.02 0.91 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1p3b n PRO 909 Cb 0.50 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 1p3b n PRO 909 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1p3b s ASN 910 N 1.43 -0.70 -0.00 2.55 2.47 -1.26 -5.17 114.94 114.26 1p3b s ASN 910 Ca 0.78 1.06 0.05 0.00 0.42 0.00 0.00 52.86 55.17 1p3b s ASN 910 Cb -0.57 1.51 -0.01 0.00 -1.45 0.00 0.00 41.25 40.72 1p3b s ASN 910 CO 0.36 -0.16 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.80 1p3b s ILE 911 N 1.89 1.21 0.08 -5.21 1.01 -1.26 -5.12 121.20 113.80 1p3b s ILE 911 Ca -0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1p3b s ILE 911 Cb -0.06 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1p3b s ILE 911 CO -0.17 0.28 1.09 -1.10 0.00 0.00 0.00 174.94 175.04 1p3b s GLN 912 N -0.53 4.53 0.18 2.79 -1.52 -1.26 -4.95 119.66 118.90 1p3b s GLN 912 Ca 0.05 1.63 -0.24 0.00 -1.95 0.00 0.00 55.36 54.85 1p3b s GLN 912 Cb -0.06 -3.37 0.07 0.00 -0.22 0.00 0.00 33.01 29.43 1p3b s GLN 912 CO -0.00 -0.08 1.56 0.77 -0.25 0.00 0.00 175.29 177.29 1p3b h SER 913 N 6.29 -1.57 0.00 5.90 0.02 -2.00 0.51 113.55 122.71 1p3b h SER 913 Ca -0.42 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1p3b h SER 913 Cb 1.21 0.74 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1p3b h SER 913 CO 0.76 -0.31 0.42 -0.37 -1.14 0.00 0.00 176.83 176.20 1p3b h VAL 914 N -0.14 0.00 0.00 2.27 -1.51 -2.00 0.57 116.25 115.45 1p3b h VAL 914 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 1p3b h VAL 914 Cb 0.55 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1p3b h VAL 914 CO -0.80 0.00 -0.66 0.18 -1.23 0.00 0.00 177.57 175.07 1p3b n LEU 915 N -2.21 0.65 -4.83 4.19 4.77 0.17 -4.86 117.00 114.88 1p3b n LEU 915 Ca -0.01 0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1p3b n LEU 915 Cb 0.44 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1p3b n LEU 915 CO 0.06 -0.02 0.62 -0.76 -1.33 0.00 0.00 177.39 175.97 1p3b s LEU 916 N -4.01 3.94 0.00 2.23 1.43 0.20 -5.06 118.68 117.41 1p3b s LEU 916 Ca 0.07 1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 54.70 1p3b s LEU 916 Cb 0.14 -4.48 0.14 0.00 0.03 0.00 0.00 46.19 42.02 1p3b s LEU 916 CO 0.73 -0.35 0.53 -0.81 0.23 0.00 0.00 176.35 176.67 1p3b n PRO 917 N -0.66 -1.78 0.00 1.29 -0.04 -1.26 -4.98 135.00 127.57 1p3b n PRO 917 Ca 0.07 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1p3b n PRO 917 Cb 0.54 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1p3b n PRO 917 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p3b n LYS 918 N -2.94 0.00 -3.48 0.54 5.02 -1.26 -4.99 118.16 111.05 1p3b n LYS 918 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1p3b n LYS 918 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.28 1p3b n LYS 918 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p3b n LYS 919 N 0.00 0.74 -0.70 1.97 0.00 -1.26 -5.18 118.16 113.73 1p3b n LYS 919 Ca 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 58.31 56.16 1p3b n LYS 919 Cb 0.00 2.29 0.00 0.00 -0.00 0.00 0.00 35.03 37.32 1p3b n LYS 919 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81