#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib2 s ARG 829 N 0.00 2.06 0.82 1.61 0.52 -1.26 -4.99 118.95 117.71 1ib2 s ARG 829 Ca 0.00 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.59 1ib2 s ARG 829 Cb 0.00 -1.85 0.09 0.00 0.52 0.00 0.00 34.95 33.70 1ib2 s ARG 829 CO 0.00 -1.84 1.11 -1.54 0.02 0.00 0.00 175.30 173.06 1ib2 s SER 830 N -2.62 3.97 0.27 0.23 1.04 -1.26 -4.81 113.70 110.52 1ib2 s SER 830 Ca 0.68 1.96 0.02 0.00 0.48 0.00 0.00 55.95 59.08 1ib2 s SER 830 Cb -0.23 -2.54 0.37 0.00 0.10 0.00 0.00 66.02 63.73 1ib2 s SER 830 CO 0.50 -2.39 1.70 -0.09 0.98 0.00 0.00 173.24 173.93 1ib2 h ARG 831 N -1.34 0.51 -0.46 4.02 9.65 -1.99 -1.25 114.38 123.52 1ib2 h ARG 831 Ca -0.43 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.21 1ib2 h ARG 831 Cb 1.24 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1ib2 h ARG 831 CO 0.48 0.73 0.14 1.25 2.80 0.00 0.00 179.97 185.37 1ib2 h LEU 832 N 0.44 0.67 -0.54 3.80 5.85 -1.99 0.75 115.31 124.30 1ib2 h LEU 832 Ca 0.06 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1ib2 h LEU 832 Cb 0.70 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ib2 h LEU 832 CO 0.05 0.70 -0.24 0.25 -0.34 0.00 0.00 178.44 178.86 1ib2 h LEU 833 N 0.60 0.95 -0.44 2.25 5.85 -1.87 -0.25 115.31 122.40 1ib2 h LEU 833 Ca 0.15 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1ib2 h LEU 833 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ib2 h LEU 833 CO -0.00 1.14 0.21 -0.08 -0.34 0.00 0.00 178.44 179.36 1ib2 h GLU 834 N 0.79 0.63 -0.57 1.25 4.57 -0.97 -0.68 114.58 119.61 1ib2 h GLU 834 Ca 0.10 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ib2 h GLU 834 Cb 0.80 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 1ib2 h GLU 834 CO 0.07 0.55 0.03 -0.44 -1.18 0.00 0.00 179.01 178.04 1ib2 h ASP 835 N 0.57 0.95 -0.45 1.04 3.45 -0.74 -0.80 116.42 120.44 1ib2 h ASP 835 Ca 0.15 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.34 1ib2 h ASP 835 Cb 0.13 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 1ib2 h ASP 835 CO -0.02 1.01 0.26 0.15 -1.57 0.00 0.00 179.24 179.07 1ib2 h PHE 836 N 0.87 0.48 0.00 4.55 3.57 -0.78 -1.29 116.94 124.34 1ib2 h PHE 836 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1ib2 h PHE 836 Cb 0.50 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1ib2 h PHE 836 CO 0.04 0.27 -0.16 0.00 -2.23 0.00 0.00 178.31 176.23 1ib2 h ARG 837 N 0.52 0.00 -0.67 1.11 3.08 -0.76 -1.65 114.38 116.01 1ib2 h ARG 837 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ib2 h ARG 837 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ib2 h ARG 837 CO -0.10 0.16 0.00 0.09 -1.07 0.00 0.00 179.97 179.05 1ib2 n ASN 838 N -4.06 3.69 -2.56 7.04 3.02 -0.34 -4.93 115.26 117.13 1ib2 n ASN 838 Ca -0.02 -2.46 -0.20 0.00 -0.03 0.00 0.00 54.58 51.87 1ib2 n ASN 838 Cb 0.24 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1ib2 n ASN 838 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ib2 n ASN 839 N 0.52 -5.61 0.18 6.41 4.13 -0.62 -4.90 115.26 115.37 1ib2 n ASN 839 Ca 0.17 -0.19 0.06 0.00 1.68 0.00 0.00 54.58 56.30 1ib2 n ASN 839 Cb 0.75 -4.50 0.21 0.00 -1.54 0.00 0.00 39.78 34.70 1ib2 n ASN 839 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1ib2 h ARG 840 N -0.91 0.00 -3.62 3.52 2.43 -1.46 -3.41 114.38 110.93 1ib2 h ARG 840 Ca -0.47 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.06 1ib2 h ARG 840 Cb 1.33 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.47 1ib2 h ARG 840 CO 0.52 0.38 -0.67 0.71 -1.51 0.00 0.00 179.97 179.40 1ib2 s TYR 841 N -3.29 3.12 -0.50 2.20 2.02 -1.26 -4.95 117.35 114.68 1ib2 s TYR 841 Ca 0.02 -3.01 0.24 0.00 -0.37 0.00 0.00 57.07 53.96 1ib2 s TYR 841 Cb 0.09 -2.70 0.97 0.00 -0.40 0.00 0.00 41.96 39.92 1ib2 s TYR 841 CO 0.70 -0.79 1.72 -0.35 -1.57 0.00 0.00 175.55 175.26 1ib2 n PRO 842 N 3.46 0.21 -1.52 -1.71 -0.04 -1.26 -3.27 135.00 130.86 1ib2 n PRO 842 Ca 0.05 0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 63.86 1ib2 n PRO 842 Cb 0.35 -1.87 0.10 0.00 -0.04 0.00 0.00 33.50 32.03 1ib2 n PRO 842 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ib2 n ASN 843 N -2.25 2.64 -4.74 3.54 4.13 -1.26 -5.08 115.26 112.24 1ib2 n ASN 843 Ca 0.02 -3.30 -0.42 0.00 1.68 0.00 0.00 54.58 52.56 1ib2 n ASN 843 Cb 0.26 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 38.06 1ib2 n ASN 843 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ib2 n LEU 844 N -0.66 4.22 -4.46 3.41 7.94 -1.20 -5.00 117.00 121.24 1ib2 n LEU 844 Ca 0.24 1.19 -0.26 0.00 -1.11 0.00 0.00 56.01 56.07 1ib2 n LEU 844 Cb 0.87 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.15 1ib2 n LEU 844 CO 0.12 -0.06 -0.49 -1.10 -1.11 0.00 0.00 177.39 174.75 1ib2 s GLN 845 N -1.47 1.66 0.24 1.96 -1.52 -1.26 -5.04 119.66 114.23 1ib2 s GLN 845 Ca 0.58 -1.59 -0.04 0.00 -1.95 0.00 0.00 55.36 52.35 1ib2 s GLN 845 Cb -0.52 -1.86 0.40 0.00 -0.22 0.00 0.00 33.01 30.82 1ib2 s GLN 845 CO 0.58 0.37 1.80 -0.07 -0.25 0.00 0.00 175.29 177.73 1ib2 h LEU 846 N 2.77 0.63 -2.27 2.90 3.38 -1.98 -0.23 115.31 120.51 1ib2 h LEU 846 Ca -0.44 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1ib2 h LEU 846 Cb 1.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ib2 h LEU 846 CO 0.54 0.35 -0.02 0.08 0.09 0.00 0.00 178.44 179.47 1ib2 h ARG 847 N 0.75 0.00 0.00 1.13 0.11 -1.96 -1.92 114.38 112.49 1ib2 h ARG 847 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1ib2 h ARG 847 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1ib2 h ARG 847 CO -0.26 0.02 0.00 0.39 0.10 0.00 0.00 179.97 180.22 1ib2 n GLU 848 N -3.99 0.01 -0.70 0.08 1.02 -0.11 -3.28 120.64 113.68 1ib2 n GLU 848 Ca -0.03 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1ib2 n GLU 848 Cb 0.11 -1.52 0.34 0.00 -0.02 0.00 0.00 31.44 30.36 1ib2 n GLU 848 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1ib2 n ILE 849 N -1.54 2.56 -1.61 -3.67 -5.35 -0.72 -4.97 119.36 104.07 1ib2 n ILE 849 Ca 0.07 -1.62 -0.44 0.00 -0.27 0.00 0.00 62.75 60.48 1ib2 n ILE 849 Cb 0.33 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.95 1ib2 n ILE 849 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ib2 n ALA 850 N 0.13 0.04 0.00 -1.28 0.00 -1.20 -0.48 120.51 117.71 1ib2 n ALA 850 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1ib2 n ALA 850 Cb 1.07 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ib2 n ALA 850 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib2 n GLY 851 N 1.25 2.87 0.32 0.00 0.00 -1.26 -4.77 105.19 103.60 1ib2 n GLY 851 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1ib2 n GLY 851 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ib2 n HIS 852 N -2.00 0.26 -0.21 1.61 -0.00 0.37 -4.79 115.22 110.46 1ib2 n HIS 852 Ca 0.00 -0.61 -0.09 0.00 -0.00 0.00 0.00 57.72 57.01 1ib2 n HIS 852 Cb 0.00 -0.09 0.03 0.00 -0.00 0.00 0.00 29.99 29.93 1ib2 n HIS 852 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1ib2 h ILE 853 N 0.88 1.27 -0.46 1.59 2.04 -1.85 -0.51 117.51 120.46 1ib2 h ILE 853 Ca 0.00 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1ib2 h ILE 853 Cb 0.76 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1ib2 h ILE 853 CO 0.03 0.42 0.04 0.24 0.00 0.00 0.00 178.15 178.87 1ib2 h MET 854 N 0.98 0.78 -0.17 2.37 2.86 -1.87 0.17 114.93 120.05 1ib2 h MET 854 Ca 0.17 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ib2 h MET 854 Cb 0.55 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1ib2 h MET 854 CO 0.03 0.82 0.06 1.49 1.06 0.00 0.00 176.91 180.37 1ib2 h GLU 855 N 0.64 0.26 -0.69 1.72 4.81 -1.88 -2.78 114.58 116.66 1ib2 h GLU 855 Ca 0.14 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1ib2 h GLU 855 Cb 0.44 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1ib2 h GLU 855 CO 0.02 0.36 0.45 0.74 -0.73 0.00 0.00 179.01 179.84 1ib2 h PHE 856 N 0.11 0.84 -0.21 0.92 -1.00 -0.97 -2.51 116.94 114.12 1ib2 h PHE 856 Ca 0.06 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.92 1ib2 h PHE 856 Cb 0.20 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1ib2 h PHE 856 CO -0.01 0.51 0.16 0.77 -1.61 0.00 0.00 178.31 178.14 1ib2 h SER 857 N 0.90 0.00 -0.34 2.17 0.02 -0.79 -0.82 113.55 114.68 1ib2 h SER 857 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1ib2 h SER 857 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ib2 h SER 857 CO -0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 1ib2 n GLN 858 N -4.36 2.36 -3.79 3.45 6.02 -0.97 -1.99 117.38 118.10 1ib2 n GLN 858 Ca 0.02 -2.05 -0.36 0.00 -0.01 0.00 0.00 57.00 54.59 1ib2 n GLN 858 Cb 0.30 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1ib2 n GLN 858 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ib2 s ASP 859 N -1.50 6.48 0.23 1.08 2.15 -0.49 -4.74 116.67 119.87 1ib2 s ASP 859 Ca 0.37 0.57 -0.07 0.00 0.43 0.00 0.00 52.55 53.85 1ib2 s ASP 859 Cb 0.22 -2.10 0.33 0.00 -0.30 0.00 0.00 42.92 41.07 1ib2 s ASP 859 CO 0.31 0.35 1.79 -0.61 -0.17 0.00 0.00 175.17 176.84 1ib2 h GLN 860 N 4.64 0.63 0.10 4.34 4.15 -1.90 0.14 115.11 127.22 1ib2 h GLN 860 Ca -0.53 -0.04 -0.33 0.00 0.77 0.00 0.00 58.65 58.52 1ib2 h GLN 860 Cb 1.22 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1ib2 h GLN 860 CO 0.61 0.41 -1.78 0.45 -1.93 0.00 0.00 178.83 176.59 1ib2 h HIS 861 N 0.65 0.40 -0.40 3.99 3.86 -1.95 -3.24 115.15 118.47 1ib2 h HIS 861 Ca 0.35 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1ib2 h HIS 861 Cb 0.34 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1ib2 h HIS 861 CO -0.10 1.50 0.12 0.78 0.86 0.00 0.00 177.93 181.09 1ib2 h GLY 862 N 1.71 0.61 0.95 2.45 0.00 -1.67 -1.93 103.07 105.20 1ib2 h GLY 862 Ca -0.34 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 1ib2 h GLY 862 CO 0.12 0.29 -0.18 0.23 0.00 0.00 0.00 176.54 177.00 1ib2 h SER 863 N 0.57 0.71 -0.74 0.19 0.87 0.61 -2.19 113.55 113.57 1ib2 h SER 863 Ca 0.13 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1ib2 h SER 863 Cb 0.18 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1ib2 h SER 863 CO -0.01 0.98 0.36 -0.09 -0.53 0.00 0.00 176.83 177.54 1ib2 h ARG 864 N 0.45 1.08 -0.30 2.24 9.65 -1.53 0.83 114.38 126.79 1ib2 h ARG 864 Ca 0.07 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1ib2 h ARG 864 Cb 0.72 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1ib2 h ARG 864 CO 0.05 0.84 0.15 0.35 2.80 0.00 0.00 179.97 184.15 1ib2 h PHE 865 N 1.07 0.27 -0.34 2.20 3.57 -1.18 -1.45 116.94 121.09 1ib2 h PHE 865 Ca 0.26 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 1ib2 h PHE 865 Cb 0.11 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ib2 h PHE 865 CO 0.01 0.15 -0.08 0.82 -2.23 0.00 0.00 178.31 176.98 1ib2 h ILE 866 N 0.31 1.28 -0.35 1.41 2.04 -0.95 -2.20 117.51 119.05 1ib2 h ILE 866 Ca 0.13 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.93 1ib2 h ILE 866 Cb 0.05 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1ib2 h ILE 866 CO -0.09 0.37 -0.15 1.56 0.00 0.00 0.00 178.15 179.84 1ib2 h GLN 867 N 0.44 -0.08 -0.60 2.37 4.20 -0.57 -0.56 115.11 120.30 1ib2 h GLN 867 Ca 0.09 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 1ib2 h GLN 867 Cb 0.57 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1ib2 h GLN 867 CO 0.03 -0.06 0.00 -0.07 -0.67 0.00 0.00 178.83 178.07 1ib2 h LEU 868 N -0.09 1.05 -0.67 1.46 3.38 -1.25 -3.06 115.31 116.13 1ib2 h LEU 868 Ca 0.17 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1ib2 h LEU 868 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ib2 h LEU 868 CO -0.41 1.10 0.04 0.11 0.09 0.00 0.00 178.44 179.37 1ib2 h LYS 869 N 0.97 1.07 0.00 1.13 1.79 -0.98 -2.82 116.57 117.73 1ib2 h LYS 869 Ca 0.17 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1ib2 h LYS 869 Cb 0.56 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1ib2 h LYS 869 CO 0.03 1.02 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.21 1ib2 h LEU 870 N 0.99 0.00 -1.47 2.94 3.38 -1.06 0.48 115.31 120.57 1ib2 h LEU 870 Ca 0.18 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1ib2 h LEU 870 Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ib2 h LEU 870 CO 0.02 0.14 0.47 -0.33 0.09 0.00 0.00 178.44 178.84 1ib2 h GLU 871 N 0.00 0.57 0.00 1.13 5.08 -1.40 -3.20 114.58 116.77 1ib2 h GLU 871 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ib2 h GLU 871 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ib2 h GLU 871 CO 0.02 0.38 -0.08 0.54 -1.00 0.00 0.00 179.01 178.87 1ib2 n ARG 872 N -4.49 1.44 -1.55 2.33 1.74 -0.87 -5.07 116.66 110.19 1ib2 n ARG 872 Ca 0.12 -1.52 -0.32 0.00 -0.77 0.00 0.00 57.85 55.36 1ib2 n ARG 872 Cb 0.35 -0.96 0.06 0.00 -1.02 0.00 0.00 32.46 30.89 1ib2 n ARG 872 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ib2 s ALA 873 N -1.17 2.48 0.74 7.54 0.00 0.11 -5.02 121.76 126.44 1ib2 s ALA 873 Ca 0.09 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1ib2 s ALA 873 Cb 0.08 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.98 1ib2 s ALA 873 CO 0.01 -1.38 1.07 0.95 0.00 0.00 0.00 175.76 176.41 1ib2 s THR 874 N -2.77 3.64 0.45 0.00 -4.23 -1.26 -4.83 115.64 106.64 1ib2 s THR 874 Ca 0.62 0.53 0.12 0.00 -1.18 0.00 0.00 61.69 61.78 1ib2 s THR 874 Cb -0.17 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.73 1ib2 s THR 874 CO 0.50 -0.70 2.06 -0.65 -0.54 0.00 0.00 174.62 175.30 1ib2 h PRO 875 N -0.90 0.35 -0.53 3.99 0.11 -1.98 -1.55 132.00 131.50 1ib2 h PRO 875 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1ib2 h PRO 875 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1ib2 h PRO 875 CO 0.56 0.23 -0.14 0.00 -0.21 0.00 0.00 178.00 178.45 1ib2 h ALA 876 N 1.79 0.73 -0.73 -0.75 0.00 -1.99 -1.51 119.26 116.80 1ib2 h ALA 876 Ca 0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1ib2 h ALA 876 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ib2 h ALA 876 CO -0.03 0.67 0.23 0.93 0.00 0.00 0.00 179.25 181.05 1ib2 h GLU 877 N 0.90 1.13 -0.81 0.00 5.08 -1.69 -2.19 114.58 116.99 1ib2 h GLU 877 Ca 0.13 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1ib2 h GLU 877 Cb 0.72 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1ib2 h GLU 877 CO 0.06 0.96 0.40 0.00 -1.00 0.00 0.00 179.01 179.43 1ib2 h ARG 878 N 1.08 1.17 -0.14 2.33 3.08 -1.02 -2.65 114.38 118.23 1ib2 h ARG 878 Ca 0.24 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1ib2 h ARG 878 Cb 0.30 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ib2 h ARG 878 CO -0.01 0.90 -0.22 0.37 -1.07 0.00 0.00 179.97 179.94 1ib2 h GLN 879 N 1.15 0.25 -0.60 0.04 5.75 -0.85 -0.28 115.11 120.56 1ib2 h GLN 879 Ca 0.28 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1ib2 h GLN 879 Cb 0.11 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1ib2 h GLN 879 CO -0.04 0.46 0.02 -0.07 -2.65 0.00 0.00 178.83 176.55 1ib2 h LEU 880 N 0.23 1.01 -0.32 -2.39 3.38 -1.06 0.85 115.31 117.02 1ib2 h LEU 880 Ca 0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1ib2 h LEU 880 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ib2 h LEU 880 CO 0.04 1.05 0.01 0.58 0.09 0.00 0.00 178.44 180.21 1ib2 h VAL 881 N 0.95 1.25 -0.30 1.22 2.07 -1.23 -3.09 116.25 117.13 1ib2 h VAL 881 Ca 0.17 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ib2 h VAL 881 Cb 0.53 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ib2 h VAL 881 CO 0.03 0.30 0.18 0.15 0.02 0.00 0.00 177.57 178.25 1ib2 h PHE 882 N 0.36 0.40 -0.17 1.57 3.04 -0.72 -2.31 116.94 119.12 1ib2 h PHE 882 Ca 0.09 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.09 1ib2 h PHE 882 Cb 0.43 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1ib2 h PHE 882 CO 0.03 0.30 0.13 -0.91 -2.02 0.00 0.00 178.31 175.84 1ib2 h ASN 883 N 0.38 0.00 1.32 0.41 -0.26 -0.84 0.47 115.58 117.06 1ib2 h ASN 883 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.73 1ib2 h ASN 883 Cb 0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 1ib2 h ASN 883 CO -0.02 0.00 -0.71 -0.08 -1.06 0.00 0.00 177.43 175.56 1ib2 h GLU 884 N 0.00 0.00 0.00 0.81 4.81 -1.34 -3.37 114.58 115.49 1ib2 h GLU 884 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ib2 h GLU 884 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1ib2 h GLU 884 CO -0.00 0.44 -1.77 0.44 -0.73 0.00 0.00 179.01 177.39 1ib2 n ILE 885 N -3.14 0.00 -0.22 2.32 -5.35 -0.57 -4.65 119.36 107.75 1ib2 n ILE 885 Ca -0.00 -0.40 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 1ib2 n ILE 885 Cb 0.75 0.17 0.06 0.00 -1.74 0.00 0.00 39.64 38.88 1ib2 n ILE 885 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1ib2 h LEU 886 N 0.00 -0.65 -1.51 7.28 5.85 -1.11 0.17 115.31 125.33 1ib2 h LEU 886 Ca 0.00 0.20 0.15 0.00 0.84 0.00 0.00 57.88 59.07 1ib2 h LEU 886 Cb 0.83 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1ib2 h LEU 886 CO 0.00 -0.23 0.52 1.56 -0.34 0.00 0.00 178.44 179.96 1ib2 h GLN 887 N -0.02 0.46 -0.17 1.25 4.20 -1.82 -2.35 115.11 116.66 1ib2 h GLN 887 Ca 0.31 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 1ib2 h GLN 887 Cb 0.49 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.08 1ib2 h GLN 887 CO -0.68 0.31 -0.48 0.00 -0.67 0.00 0.00 178.83 177.31 1ib2 n ALA 888 N -2.50 3.99 -0.33 3.87 0.00 -0.44 -4.80 120.51 120.30 1ib2 n ALA 888 Ca 0.15 -3.37 0.03 0.00 0.00 0.00 0.00 53.44 50.26 1ib2 n ALA 888 Cb 0.52 -0.41 0.21 0.00 0.00 0.00 0.00 19.45 19.78 1ib2 n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ib2 h ALA 889 N 1.19 1.46 -0.71 0.00 0.00 -0.45 -1.75 119.26 119.01 1ib2 h ALA 889 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ib2 h ALA 889 Cb 1.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1ib2 h ALA 889 CO 0.18 0.40 0.43 -0.92 0.00 0.00 0.00 179.25 179.35 1ib2 h TYR 890 N 1.10 0.92 -0.57 0.00 3.20 -1.87 -0.58 116.97 119.16 1ib2 h TYR 890 Ca 0.40 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.22 1ib2 h TYR 890 Cb 0.17 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1ib2 h TYR 890 CO -0.00 0.61 0.14 0.37 -1.64 0.00 0.00 178.16 177.63 1ib2 h GLN 891 N 0.97 0.88 -0.23 1.82 4.15 -1.70 -2.45 115.11 118.55 1ib2 h GLN 891 Ca 0.26 -0.18 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1ib2 h GLN 891 Cb -0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1ib2 h GLN 891 CO -0.05 0.79 -0.45 -0.07 -1.93 0.00 0.00 178.83 177.12 1ib2 h LEU 892 N 0.85 0.62 -1.31 -2.39 3.38 -1.01 -3.15 115.31 112.29 1ib2 h LEU 892 Ca 0.18 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.96 1ib2 h LEU 892 Cb 0.31 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1ib2 h LEU 892 CO -0.00 0.98 0.54 0.24 0.09 0.00 0.00 178.44 180.29 1ib2 h MET 893 N 0.47 0.73 -0.66 1.13 2.86 -0.67 0.87 114.93 119.65 1ib2 h MET 893 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ib2 h MET 893 Cb 0.97 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1ib2 h MET 893 CO 0.09 0.48 0.00 1.33 1.06 0.00 0.00 176.91 179.87 1ib2 n VAL 894 N -4.52 1.88 -3.82 -2.22 0.24 -1.12 -2.53 118.33 106.24 1ib2 n VAL 894 Ca 0.14 -1.21 -0.37 0.00 -2.04 0.00 0.00 64.34 60.86 1ib2 n VAL 894 Cb 0.34 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.77 1ib2 n VAL 894 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ib2 s ASP 895 N -0.90 6.44 0.46 -1.34 -1.08 -0.71 -4.76 116.67 114.79 1ib2 s ASP 895 Ca 0.52 0.53 0.19 0.00 -0.52 0.00 0.00 52.55 53.27 1ib2 s ASP 895 Cb 0.34 -2.09 1.16 0.00 -1.46 0.00 0.00 42.92 40.86 1ib2 s ASP 895 CO 0.25 0.39 1.93 1.62 0.52 0.00 0.00 175.17 179.88 1ib2 h VAL 896 N 3.96 0.75 0.00 1.11 3.04 -1.92 -1.96 116.25 121.23 1ib2 h VAL 896 Ca -0.54 -0.10 -0.20 0.00 -1.01 0.00 0.00 66.70 64.85 1ib2 h VAL 896 Cb 1.23 0.43 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 1ib2 h VAL 896 CO 0.59 0.05 -1.74 0.49 -1.01 0.00 0.00 177.57 175.96 1ib2 n PHE 897 N -4.45 0.00 0.17 3.17 3.01 -1.26 -4.61 117.46 113.49 1ib2 n PHE 897 Ca 0.14 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.63 1ib2 n PHE 897 Cb 0.60 -0.53 0.38 0.00 -0.01 0.00 0.00 39.48 39.92 1ib2 n PHE 897 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ib2 h GLY 898 N 2.04 0.09 1.58 1.37 0.00 -1.28 -2.90 103.07 103.97 1ib2 h GLY 898 Ca -0.29 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1ib2 h GLY 898 CO 0.01 0.06 0.22 3.45 0.00 0.00 0.00 176.54 180.28 1ib2 h ASN 899 N 0.07 0.28 -0.75 0.19 7.08 -0.06 -1.74 115.58 120.65 1ib2 h ASN 899 Ca 0.01 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.21 1ib2 h ASN 899 Cb 0.55 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 36.69 1ib2 h ASN 899 CO 0.04 0.19 0.40 1.88 -2.08 0.00 0.00 177.43 177.86 1ib2 h TYR 900 N 0.33 1.06 -0.50 4.14 -1.99 -1.79 -0.31 116.97 117.92 1ib2 h TYR 900 Ca 0.13 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 1ib2 h TYR 900 Cb 0.13 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.51 1ib2 h TYR 900 CO -0.00 0.75 0.04 0.28 -0.00 0.00 0.00 178.16 179.23 1ib2 h VAL 901 N 1.08 1.26 -0.57 -2.88 2.07 -1.45 -1.62 116.25 114.13 1ib2 h VAL 901 Ca 0.27 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ib2 h VAL 901 Cb 0.06 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1ib2 h VAL 901 CO -0.04 0.36 0.35 0.40 0.02 0.00 0.00 177.57 178.66 1ib2 h ILE 902 N 0.72 1.17 -0.82 4.57 1.08 -1.29 -2.50 117.51 120.44 1ib2 h ILE 902 Ca 0.15 -0.37 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1ib2 h ILE 902 Cb 0.46 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1ib2 h ILE 902 CO 0.02 0.17 0.52 1.56 -0.69 0.00 0.00 178.15 179.73 1ib2 h GLN 903 N 0.78 0.97 0.00 2.37 4.20 -0.81 -2.12 115.11 120.50 1ib2 h GLN 903 Ca 0.21 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ib2 h GLN 903 Cb -0.03 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1ib2 h GLN 903 CO -0.04 0.64 -0.02 0.87 -0.67 0.00 0.00 178.83 179.61 1ib2 h LYS 904 N 1.00 0.00 -0.39 1.46 1.79 -0.85 -0.84 116.57 118.74 1ib2 h LYS 904 Ca 0.34 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.65 1ib2 h LYS 904 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1ib2 h LYS 904 CO -0.13 0.02 -0.37 0.74 -1.08 0.00 0.00 179.45 178.63 1ib2 h PHE 905 N 0.00 1.11 -0.03 -1.35 0.04 -1.16 0.19 116.94 115.73 1ib2 h PHE 905 Ca -0.00 -0.33 -0.09 0.00 2.80 0.00 0.00 57.97 60.35 1ib2 h PHE 905 Cb 0.03 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1ib2 h PHE 905 CO 0.00 1.15 -0.39 0.74 -0.60 0.00 0.00 178.31 179.21 1ib2 h PHE 906 N 0.76 0.08 0.21 -0.55 -1.00 -1.08 0.26 116.94 115.63 1ib2 h PHE 906 Ca 0.07 -0.02 -0.32 0.00 2.81 0.00 0.00 57.97 60.51 1ib2 h PHE 906 Cb 0.96 -0.02 0.03 0.00 3.61 0.00 0.00 35.95 40.54 1ib2 h PHE 906 CO 0.06 0.45 -1.40 1.49 -1.61 0.00 0.00 178.31 177.30 1ib2 h GLU 907 N 0.06 0.51 0.00 1.51 4.81 -0.96 -3.41 114.58 117.10 1ib2 h GLU 907 Ca 0.00 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 58.40 1ib2 h GLU 907 Cb 0.72 0.30 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1ib2 h GLU 907 CO 0.05 1.39 0.00 1.19 -0.73 0.00 0.00 179.01 180.92 1ib2 n PHE 908 N -3.70 0.00 -2.20 0.92 3.01 0.63 -5.09 117.46 111.04 1ib2 n PHE 908 Ca -0.15 -0.10 -0.27 0.00 1.01 0.00 0.00 57.45 57.94 1ib2 n PHE 908 Cb 1.07 -0.01 0.16 0.00 -0.01 0.00 0.00 39.48 40.70 1ib2 n PHE 908 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ib2 s GLY 909 N -0.19 1.78 0.66 1.37 0.00 0.92 -5.00 107.32 106.85 1ib2 s GLY 909 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.14 1ib2 s GLY 909 CO 0.00 -0.75 1.05 -1.35 0.00 0.00 0.00 173.10 172.05 1ib2 s SER 910 N -4.86 5.81 0.30 1.64 1.04 -1.26 -4.91 113.70 111.46 1ib2 s SER 910 Ca 0.72 1.23 -0.00 0.00 0.48 0.00 0.00 55.95 58.37 1ib2 s SER 910 Cb -0.04 -2.16 0.50 0.00 0.10 0.00 0.00 66.02 64.43 1ib2 s SER 910 CO 0.50 -1.10 1.92 0.25 0.98 0.00 0.00 173.24 175.79 1ib2 h LEU 911 N -0.46 0.92 -1.06 2.42 5.85 -1.97 -1.99 115.31 119.02 1ib2 h LEU 911 Ca -0.45 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 1ib2 h LEU 911 Cb 1.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1ib2 h LEU 911 CO 0.63 0.61 0.08 -0.33 -0.34 0.00 0.00 178.44 179.09 1ib2 h GLU 912 N 1.06 0.75 -0.22 1.25 3.07 -1.99 -0.74 114.58 117.76 1ib2 h GLU 912 Ca 0.37 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1ib2 h GLU 912 Cb 0.13 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1ib2 h GLU 912 CO -0.13 0.71 -0.29 1.96 -1.40 0.00 0.00 179.01 179.86 1ib2 h GLN 913 N 0.72 0.59 -0.86 2.33 4.20 -1.77 -1.92 115.11 118.41 1ib2 h GLN 913 Ca 0.16 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1ib2 h GLN 913 Cb 0.32 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1ib2 h GLN 913 CO 0.00 0.94 0.46 0.87 -0.67 0.00 0.00 178.83 180.44 1ib2 h LYS 914 N 0.29 1.20 -0.66 1.46 1.57 -1.12 -0.85 116.57 118.46 1ib2 h LYS 914 Ca 0.03 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1ib2 h LYS 914 Cb 0.86 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1ib2 h LYS 914 CO 0.07 0.89 0.30 1.25 -0.57 0.00 0.00 179.45 181.38 1ib2 h LEU 915 N 1.20 0.88 -0.91 2.94 5.85 -1.08 0.53 115.31 124.71 1ib2 h LEU 915 Ca 0.30 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 1ib2 h LEU 915 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1ib2 h LEU 915 CO -0.05 0.78 -0.24 0.00 -0.34 0.00 0.00 178.44 178.59 1ib2 h ALA 916 N 1.13 1.08 -0.31 1.25 0.00 -0.67 -0.89 119.26 120.85 1ib2 h ALA 916 Ca 0.22 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1ib2 h ALA 916 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ib2 h ALA 916 CO -0.03 0.56 -0.28 -0.07 0.00 0.00 0.00 179.25 179.44 1ib2 h LEU 917 N 0.46 0.78 -0.88 0.00 3.38 -0.74 -1.85 115.31 116.45 1ib2 h LEU 917 Ca 0.07 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1ib2 h LEU 917 Cb 0.67 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1ib2 h LEU 917 CO 0.05 1.08 0.56 0.00 0.09 0.00 0.00 178.44 180.21 1ib2 h ALA 918 N 0.73 1.20 -0.10 1.53 0.00 -0.59 0.21 119.26 122.24 1ib2 h ALA 918 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ib2 h ALA 918 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ib2 h ALA 918 CO 0.07 0.34 -0.21 1.49 0.00 0.00 0.00 179.25 180.94 1ib2 h GLU 919 N 1.03 0.17 0.00 0.00 4.57 -0.91 -0.32 114.58 119.11 1ib2 h GLU 919 Ca 0.38 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.44 1ib2 h GLU 919 Cb 0.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1ib2 h GLU 919 CO -0.16 0.37 -0.35 0.00 -1.18 0.00 0.00 179.01 177.70 1ib2 h ARG 920 N 0.15 0.00 0.07 1.92 2.47 -0.23 -3.12 114.38 115.64 1ib2 h ARG 920 Ca 0.03 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.50 1ib2 h ARG 920 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1ib2 h ARG 920 CO 0.03 0.35 -1.15 0.82 0.56 0.00 0.00 179.97 180.58 1ib2 h ILE 921 N 0.00 1.58 -1.46 2.04 2.04 0.10 -3.46 117.51 118.35 1ib2 h ILE 921 Ca -0.00 -3.22 -0.74 0.00 1.00 0.00 0.00 64.86 61.89 1ib2 h ILE 921 Cb 0.98 2.89 0.03 0.00 -0.74 0.00 0.00 36.82 39.98 1ib2 h ILE 921 CO 0.05 0.92 0.64 -1.14 0.00 0.00 0.00 178.15 178.62 1ib2 n ARG 922 N -3.44 0.88 -0.13 2.37 0.63 -0.24 -0.37 116.66 116.36 1ib2 n ARG 922 Ca -0.05 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1ib2 n ARG 922 Cb 0.99 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1ib2 n ARG 922 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ib2 n GLY 923 N 3.35 1.28 0.15 5.14 0.00 -1.26 -4.85 105.19 109.00 1ib2 n GLY 923 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 1ib2 n GLY 923 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ib2 n HIS 924 N -2.00 0.00 -0.28 1.61 8.25 0.50 -4.82 115.22 118.48 1ib2 n HIS 924 Ca 0.00 -0.57 -0.05 0.00 -0.26 0.00 0.00 57.72 56.84 1ib2 n HIS 924 Cb 0.00 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.08 1ib2 n HIS 924 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ib2 h VAL 925 N 1.89 1.21 -0.14 1.59 2.07 -1.88 -0.32 116.25 120.66 1ib2 h VAL 925 Ca 0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ib2 h VAL 925 Cb 0.99 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ib2 h VAL 925 CO 0.00 0.21 -0.02 0.25 0.02 0.00 0.00 177.57 178.02 1ib2 h LEU 926 N 1.03 0.26 -0.48 2.57 5.85 -1.88 0.24 115.31 122.91 1ib2 h LEU 926 Ca 0.27 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1ib2 h LEU 926 Cb -0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1ib2 h LEU 926 CO -0.06 0.55 0.26 -1.28 -0.34 0.00 0.00 178.44 177.57 1ib2 h SER 927 N -0.03 0.39 -0.47 1.25 0.87 -1.86 -1.50 113.55 112.20 1ib2 h SER 927 Ca 0.04 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 1ib2 h SER 927 Cb 0.43 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1ib2 h SER 927 CO 0.01 0.27 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.38 1ib2 h LEU 928 N 0.51 0.92 -1.64 2.23 3.38 -0.96 -2.77 115.31 116.99 1ib2 h LEU 928 Ca 0.20 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1ib2 h LEU 928 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ib2 h LEU 928 CO -0.13 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1ib2 h ALA 929 N 0.88 1.71 -0.01 1.53 0.00 -0.10 -0.10 119.26 123.17 1ib2 h ALA 929 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ib2 h ALA 929 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ib2 h ALA 929 CO 0.05 0.22 -0.03 1.28 0.00 0.00 0.00 179.25 180.78 1ib2 n LEU 930 N -4.40 1.10 -4.85 0.00 4.77 -0.60 -2.33 117.00 110.69 1ib2 n LEU 930 Ca -0.01 -0.35 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1ib2 n LEU 930 Cb 0.16 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1ib2 n LEU 930 CO 0.36 0.19 -0.03 -1.58 -1.33 0.00 0.00 177.39 174.99 1ib2 s GLN 931 N -2.07 3.72 0.34 3.23 -0.44 -0.46 -4.76 119.66 119.23 1ib2 s GLN 931 Ca 0.38 0.14 0.09 0.00 -2.50 0.00 0.00 55.36 53.47 1ib2 s GLN 931 Cb 0.21 -3.22 0.82 0.00 -1.64 0.00 0.00 33.01 29.17 1ib2 s GLN 931 CO 0.37 0.70 1.83 1.98 0.50 0.00 0.00 175.29 180.67 1ib2 h MET 932 N 4.98 0.68 0.00 1.67 1.85 -1.89 -1.23 114.93 120.99 1ib2 h MET 932 Ca -0.52 -0.04 -0.38 0.00 -0.61 0.00 0.00 59.70 58.14 1ib2 h MET 932 Cb 1.22 -0.15 -0.07 0.00 0.43 0.00 0.00 31.60 33.03 1ib2 h MET 932 CO 0.61 0.45 -2.45 0.66 -0.40 0.00 0.00 176.91 175.77 1ib2 n TYR 933 N -4.61 0.00 0.18 1.39 4.02 -1.26 -4.41 117.16 112.46 1ib2 n TYR 933 Ca 0.20 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.17 1ib2 n TYR 933 Cb 0.53 -1.00 0.60 0.00 -0.02 0.00 0.00 39.34 39.46 1ib2 n TYR 933 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ib2 h GLY 934 N 2.42 0.12 2.00 2.72 0.00 -1.37 -1.76 103.07 107.21 1ib2 h GLY 934 Ca -0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1ib2 h GLY 934 CO -0.06 0.04 -0.19 0.00 0.00 0.00 0.00 176.54 176.33 1ib2 h ARG 936 N 0.00 0.00 -0.23 0.00 2.47 -1.55 -2.07 114.38 112.99 1ib2 h ARG 936 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1ib2 h ARG 936 Cb 0.38 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1ib2 h ARG 936 CO 0.02 0.77 -0.09 0.28 0.56 0.00 0.00 179.97 181.52 1ib2 h VAL 937 N 0.00 1.30 -0.59 2.04 2.07 -1.28 -1.75 116.25 118.03 1ib2 h VAL 937 Ca -0.01 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1ib2 h VAL 937 Cb 1.44 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1ib2 h VAL 937 CO 0.10 0.35 0.38 0.40 0.02 0.00 0.00 177.57 178.82 1ib2 h ILE 938 N 0.19 1.16 -0.41 4.57 1.08 -1.35 0.25 117.51 123.00 1ib2 h ILE 938 Ca 0.05 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1ib2 h ILE 938 Cb 0.57 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1ib2 h ILE 938 CO 0.03 0.16 0.27 1.56 -0.69 0.00 0.00 178.15 179.48 1ib2 h GLN 939 N 0.80 0.53 -0.51 2.37 4.20 -1.30 -0.63 115.11 120.58 1ib2 h GLN 939 Ca 0.21 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 1ib2 h GLN 939 Cb -0.07 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1ib2 h GLN 939 CO -0.04 0.35 -0.03 0.87 -0.67 0.00 0.00 178.83 179.30 1ib2 h LYS 940 N 0.55 0.88 -0.64 1.46 1.79 -0.91 -2.48 116.57 117.22 1ib2 h LYS 940 Ca 0.15 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1ib2 h LYS 940 Cb -0.06 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 1ib2 h LYS 940 CO -0.03 0.90 0.30 0.00 -1.08 0.00 0.00 179.45 179.54 1ib2 h ALA 941 N 1.15 0.83 -0.30 3.86 0.00 -0.63 -2.66 119.26 121.50 1ib2 h ALA 941 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ib2 h ALA 941 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ib2 h ALA 941 CO 0.03 0.39 0.02 -0.07 0.00 0.00 0.00 179.25 179.62 1ib2 h LEU 942 N 0.88 0.42 -1.07 0.00 3.38 -0.78 0.27 115.31 118.42 1ib2 h LEU 942 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ib2 h LEU 942 Cb 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ib2 h LEU 942 CO -0.03 0.47 -0.10 -0.08 0.09 0.00 0.00 178.44 178.80 1ib2 h GLU 943 N 0.44 0.00 0.00 1.13 4.81 -1.16 -3.36 114.58 116.43 1ib2 h GLU 943 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1ib2 h GLU 943 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ib2 h GLU 943 CO 0.01 0.10 0.00 1.19 -0.73 0.00 0.00 179.01 179.57 1ib2 n PHE 944 N -3.20 0.00 -3.43 0.92 3.01 -0.58 -5.08 117.46 109.10 1ib2 n PHE 944 Ca 0.01 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.28 1ib2 n PHE 944 Cb 0.40 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1ib2 n PHE 944 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1ib2 s ILE 945 N -0.17 4.07 0.69 4.37 -4.36 -0.02 -5.06 121.20 120.71 1ib2 s ILE 945 Ca 0.00 -0.96 -0.15 0.00 -0.26 0.00 0.00 60.65 59.27 1ib2 s ILE 945 Cb 0.00 -3.41 0.02 0.00 1.25 0.00 0.00 42.46 40.32 1ib2 s ILE 945 CO 0.00 -0.17 1.16 -2.84 0.24 0.00 0.00 174.94 173.34 1ib2 s PRO 946 N -4.20 2.46 0.31 0.37 0.02 -1.26 -4.74 135.00 127.96 1ib2 s PRO 946 Ca 0.45 1.61 0.06 0.00 0.02 0.00 0.00 61.00 63.14 1ib2 s PRO 946 Cb -0.10 -1.89 0.84 0.00 0.02 0.00 0.00 34.50 33.37 1ib2 s PRO 946 CO 0.32 -1.55 1.64 0.77 -0.33 0.00 0.00 177.00 177.84 1ib2 h SER 947 N -0.08 0.09 -0.22 2.53 0.02 -1.98 0.01 113.55 113.92 1ib2 h SER 947 Ca -0.47 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1ib2 h SER 947 Cb 1.27 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 1ib2 h SER 947 CO 0.52 -0.19 0.07 0.44 -1.14 0.00 0.00 176.83 176.53 1ib2 h ASP 948 N 0.20 0.06 1.20 3.07 5.19 -1.99 0.17 116.42 124.32 1ib2 h ASP 948 Ca 0.62 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.96 1ib2 h ASP 948 Cb 1.32 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1ib2 h ASP 948 CO -0.68 0.07 -0.43 1.56 -3.12 0.00 0.00 179.24 176.64 1ib2 h GLN 949 N 0.16 0.00 0.11 3.56 7.50 -1.42 -1.03 115.11 123.99 1ib2 h GLN 949 Ca 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.24 1ib2 h GLN 949 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1ib2 h GLN 949 CO -0.11 0.43 -0.05 1.96 -1.50 0.00 0.00 178.83 179.56 1ib2 h GLN 950 N 0.00 -0.14 -0.98 1.46 4.20 -0.72 -0.67 115.11 118.26 1ib2 h GLN 950 Ca -0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1ib2 h GLN 950 Cb 1.14 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.89 1ib2 h GLN 950 CO 0.06 0.12 0.63 -0.91 -0.67 0.00 0.00 178.83 178.05 1ib2 h ASN 951 N -0.40 1.00 -0.53 1.46 -0.26 -0.52 0.22 115.58 116.55 1ib2 h ASN 951 Ca -0.02 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1ib2 h ASN 951 Cb 0.33 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1ib2 h ASN 951 CO 0.02 0.64 0.17 -0.33 -1.06 0.00 0.00 177.43 176.87 1ib2 h GLU 952 N 1.14 0.87 0.09 0.81 5.08 -0.98 -1.98 114.58 119.61 1ib2 h GLU 952 Ca 0.42 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1ib2 h GLU 952 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ib2 h GLU 952 CO -0.17 0.76 -0.04 0.52 -1.00 0.00 0.00 179.01 179.08 1ib2 h MET 953 N 0.85 -0.11 -0.42 2.33 2.86 0.23 -3.30 114.93 117.36 1ib2 h MET 953 Ca 0.19 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1ib2 h MET 953 Cb 0.27 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1ib2 h MET 953 CO -0.01 0.42 0.29 -0.39 1.06 0.00 0.00 176.91 178.28 1ib2 h VAL 954 N -0.79 0.96 0.00 -2.22 -1.51 -0.58 -1.58 116.25 110.53 1ib2 h VAL 954 Ca -0.01 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 1ib2 h VAL 954 Cb 0.59 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1ib2 h VAL 954 CO 0.02 0.06 -0.04 0.08 -1.23 0.00 0.00 177.57 176.46 1ib2 h ARG 955 N 0.33 0.00 0.00 5.19 0.11 -1.43 -0.89 114.38 117.70 1ib2 h ARG 955 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1ib2 h ARG 955 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1ib2 h ARG 955 CO -0.04 0.04 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1ib2 n GLU 956 N -3.23 0.19 0.00 0.08 1.02 -0.59 -2.13 120.64 115.98 1ib2 n GLU 956 Ca -0.01 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1ib2 n GLU 956 Cb 0.22 -1.85 0.49 0.00 -0.02 0.00 0.00 31.44 30.28 1ib2 n GLU 956 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ib2 n LEU 957 N -2.20 0.20 -4.66 -4.62 4.32 -0.34 -4.75 117.00 104.95 1ib2 n LEU 957 Ca 0.02 0.34 -0.47 0.00 -0.02 0.00 0.00 56.01 55.88 1ib2 n LEU 957 Cb 0.24 -0.41 -0.05 0.00 -1.62 0.00 0.00 43.42 41.59 1ib2 n LEU 957 CO 0.20 0.03 1.19 -0.67 -1.22 0.00 0.00 177.39 176.93 1ib2 n ASP 958 N -1.53 2.92 0.00 -1.43 4.64 -0.90 -0.30 116.55 119.94 1ib2 n ASP 958 Ca 0.06 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.55 1ib2 n ASP 958 Cb 0.34 -1.38 0.00 0.00 -1.04 0.00 0.00 41.12 39.04 1ib2 n ASP 958 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ib2 n GLY 959 N 3.43 0.87 0.23 0.27 0.00 -1.26 -4.83 105.19 103.90 1ib2 n GLY 959 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1ib2 n GLY 959 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ib2 n HIS 960 N -2.00 0.00 0.31 1.61 8.25 0.59 -4.91 115.22 119.07 1ib2 n HIS 960 Ca 0.00 -0.26 -0.17 0.00 -0.26 0.00 0.00 57.72 57.03 1ib2 n HIS 960 Cb 0.00 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 30.97 1ib2 n HIS 960 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ib2 h VAL 961 N 3.73 0.43 -0.96 1.59 2.07 -1.85 -1.30 116.25 119.96 1ib2 h VAL 961 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ib2 h VAL 961 Cb 1.11 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1ib2 h VAL 961 CO 0.00 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.16 1ib2 h LEU 962 N -0.76 1.08 -0.31 2.57 3.38 -1.91 0.10 115.31 119.48 1ib2 h LEU 962 Ca -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ib2 h LEU 962 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ib2 h LEU 962 CO 0.11 0.77 0.19 0.50 0.09 0.00 0.00 178.44 180.10 1ib2 h LYS 963 N 1.27 0.41 -0.57 1.13 3.64 -1.90 -2.46 116.57 118.10 1ib2 h LYS 963 Ca 0.37 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1ib2 h LYS 963 Cb -0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1ib2 h LYS 963 CO -0.09 0.31 -0.05 0.00 -2.27 0.00 0.00 179.45 177.35 1ib2 h VAL 965 N 0.93 1.14 0.00 0.00 2.07 -0.65 0.27 116.25 120.01 1ib2 h VAL 965 Ca 0.16 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ib2 h VAL 965 Cb 0.61 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1ib2 h VAL 965 CO 0.04 0.21 -0.40 0.29 0.02 0.00 0.00 177.57 177.73 1ib2 n LYS 966 N -4.46 0.01 -2.58 1.57 5.02 -0.94 -3.85 118.16 112.93 1ib2 n LYS 966 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 1ib2 n LYS 966 Cb 0.13 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1ib2 n LYS 966 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ib2 s ASP 967 N -3.03 7.24 0.51 4.39 -1.08 -0.78 -4.89 116.67 119.03 1ib2 s ASP 967 Ca 0.11 2.10 0.19 0.00 -0.52 0.00 0.00 52.55 54.43 1ib2 s ASP 967 Cb 0.18 -2.61 1.27 0.00 -1.46 0.00 0.00 42.92 40.30 1ib2 s ASP 967 CO 0.67 -0.15 2.07 0.06 0.52 0.00 0.00 175.17 178.33 1ib2 h GLN 968 N 3.51 0.07 0.00 4.34 3.07 -1.91 -1.85 115.11 122.35 1ib2 h GLN 968 Ca -0.47 -0.00 -0.43 0.00 0.09 0.00 0.00 58.65 57.84 1ib2 h GLN 968 Cb 1.21 -0.02 -0.07 0.00 0.08 0.00 0.00 27.48 28.68 1ib2 h GLN 968 CO 0.66 0.05 -2.50 0.09 0.09 0.00 0.00 178.83 177.21 1ib2 n ASN 969 N -4.47 1.97 0.22 0.06 3.02 -1.26 -4.56 115.26 110.24 1ib2 n ASN 969 Ca 0.04 0.13 0.15 0.00 -0.03 0.00 0.00 54.58 54.87 1ib2 n ASN 969 Cb 0.32 -0.63 0.80 0.00 -0.61 0.00 0.00 39.78 39.67 1ib2 n ASN 969 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ib2 h GLY 970 N 0.31 0.00 1.81 7.41 0.00 -1.40 -2.52 103.07 108.67 1ib2 h GLY 970 Ca -0.64 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 1ib2 h GLY 970 CO -0.28 0.00 -0.26 3.45 0.00 0.00 0.00 176.54 179.45 1ib2 h ASN 971 N 0.00 0.22 -0.76 0.19 7.08 -0.07 -1.98 115.58 120.26 1ib2 h ASN 971 Ca 0.06 -0.07 -0.03 0.00 -3.08 0.00 0.00 56.30 53.18 1ib2 h ASN 971 Cb 0.30 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 36.45 1ib2 h ASN 971 CO -0.00 0.49 0.34 0.45 -2.08 0.00 0.00 177.43 176.63 1ib2 h HIS 972 N 0.21 1.12 -0.18 4.14 3.86 -1.72 -0.34 115.15 122.23 1ib2 h HIS 972 Ca 0.03 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1ib2 h HIS 972 Cb 0.58 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1ib2 h HIS 972 CO 0.01 0.83 0.01 0.28 0.86 0.00 0.00 177.93 179.92 1ib2 h VAL 973 N 1.10 1.24 -0.74 2.45 2.07 -1.46 -1.83 116.25 119.09 1ib2 h VAL 973 Ca 0.26 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ib2 h VAL 973 Cb 0.15 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1ib2 h VAL 973 CO -0.03 0.25 0.45 0.58 0.02 0.00 0.00 177.57 178.84 1ib2 h VAL 974 N 0.08 1.21 -0.56 2.57 2.07 -1.18 0.02 116.25 120.46 1ib2 h VAL 974 Ca 0.05 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ib2 h VAL 974 Cb 0.36 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1ib2 h VAL 974 CO 0.01 0.21 0.37 1.56 0.02 0.00 0.00 177.57 179.74 1ib2 h GLN 975 N 1.01 0.73 -0.65 1.57 4.20 -0.99 -1.70 115.11 119.28 1ib2 h GLN 975 Ca 0.27 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 1ib2 h GLN 975 Cb -0.04 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1ib2 h GLN 975 CO -0.05 0.48 0.16 -0.22 -0.67 0.00 0.00 178.83 178.54 1ib2 h LYS 976 N 0.75 1.01 -0.59 1.46 1.63 -0.78 -1.71 116.57 118.35 1ib2 h LYS 976 Ca 0.21 -0.22 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1ib2 h LYS 976 Cb -0.08 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.36 1ib2 h LYS 976 CO -0.05 0.89 0.33 0.00 -3.45 0.00 0.00 179.45 177.18 1ib2 h ILE 978 N 0.64 1.23 -0.01 0.00 2.04 -0.82 0.05 117.51 120.65 1ib2 h ILE 978 Ca 0.25 -0.71 -0.17 0.00 1.00 0.00 0.00 64.86 65.23 1ib2 h ILE 978 Cb 0.11 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1ib2 h ILE 978 CO -0.14 0.29 -0.78 -0.33 0.00 0.00 0.00 178.15 177.18 1ib2 h GLU 979 N 0.96 0.10 0.00 2.37 5.08 -0.66 -3.41 114.58 119.02 1ib2 h GLU 979 Ca 0.23 -0.10 -0.26 0.00 -1.00 0.00 0.00 59.36 58.23 1ib2 h GLU 979 Cb 0.17 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1ib2 h GLU 979 CO -0.02 0.83 -1.96 0.00 -1.00 0.00 0.00 179.01 176.86 1ib2 s VAL 981 N -2.34 4.61 0.17 0.00 1.01 -0.02 -5.02 120.40 118.82 1ib2 s VAL 981 Ca -0.10 1.18 -0.33 0.00 0.00 0.00 0.00 61.98 62.73 1ib2 s VAL 981 Cb 0.04 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 1ib2 s VAL 981 CO 0.54 0.11 1.47 0.00 0.00 0.00 0.00 175.10 177.21 1ib2 n GLN 982 N 0.44 1.91 -0.25 2.72 6.02 -1.26 -4.85 117.38 122.11 1ib2 n GLN 982 Ca -0.01 0.69 0.20 0.00 -0.01 0.00 0.00 57.00 57.86 1ib2 n GLN 982 Cb 0.52 -2.39 0.51 0.00 1.02 0.00 0.00 30.24 29.90 1ib2 n GLN 982 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ib2 h PRO 983 N 5.06 0.39 0.00 -1.09 0.13 -1.94 0.13 132.00 134.67 1ib2 h PRO 983 Ca -0.45 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1ib2 h PRO 983 Cb 1.28 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ib2 h PRO 983 CO 0.82 0.26 -0.13 -0.56 -0.23 0.00 0.00 178.00 178.16 1ib2 h GLN 984 N 0.40 0.00 -0.00 0.86 -0.00 -2.03 -0.45 115.11 113.89 1ib2 h GLN 984 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 1ib2 h GLN 984 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 1ib2 h GLN 984 CO -0.19 0.13 -0.04 0.43 -0.00 0.00 0.00 178.83 179.16 1ib2 n SER 985 N -4.09 0.40 -0.62 0.06 7.64 0.03 -3.21 113.62 113.83 1ib2 n SER 985 Ca -0.02 -0.79 0.09 0.00 1.01 0.00 0.00 58.87 59.16 1ib2 n SER 985 Cb 0.21 -0.07 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 1ib2 n SER 985 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ib2 n LEU 986 N -0.85 2.24 -0.35 -3.43 4.77 -0.19 -4.59 117.00 114.60 1ib2 n LEU 986 Ca 0.18 -0.89 0.09 0.00 -0.03 0.00 0.00 56.01 55.36 1ib2 n LEU 986 Cb 0.23 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.58 1ib2 n LEU 986 CO 0.21 0.40 1.20 -0.61 -1.33 0.00 0.00 177.39 177.26 1ib2 h GLN 987 N 3.02 0.85 0.00 3.23 5.75 -1.50 0.53 115.11 126.98 1ib2 h GLN 987 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1ib2 h GLN 987 Cb 0.73 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1ib2 h GLN 987 CO 0.00 0.56 -0.10 0.27 -2.65 0.00 0.00 178.83 176.91 1ib2 h PHE 988 N 0.87 0.00 -0.02 3.99 -5.15 -1.86 0.13 116.94 114.90 1ib2 h PHE 988 Ca 0.52 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 58.08 1ib2 h PHE 988 Cb 0.65 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.83 1ib2 h PHE 988 CO -0.01 0.10 -0.80 0.82 -2.00 0.00 0.00 178.31 176.42 1ib2 h ILE 989 N 0.00 1.34 -0.53 0.88 2.04 -1.22 -1.89 117.51 118.13 1ib2 h ILE 989 Ca -0.00 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.73 1ib2 h ILE 989 Cb 0.31 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1ib2 h ILE 989 CO 0.01 0.64 0.28 0.40 0.00 0.00 0.00 178.15 179.49 1ib2 h ILE 990 N 0.19 1.18 -0.91 -0.67 1.08 -1.00 -2.48 117.51 114.91 1ib2 h ILE 990 Ca -0.09 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 63.92 1ib2 h ILE 990 Cb 1.48 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 1ib2 h ILE 990 CO 0.16 0.20 0.60 0.44 -0.69 0.00 0.00 178.15 178.86 1ib2 h ASP 991 N 0.71 1.03 0.63 1.72 3.32 -0.73 -1.29 116.42 121.80 1ib2 h ASP 991 Ca 0.19 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ib2 h ASP 991 Cb 0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1ib2 h ASP 991 CO -0.03 0.74 -0.00 0.00 -1.72 0.00 0.00 179.24 178.23 1ib2 h ALA 992 N 1.44 1.00 -0.00 3.45 0.00 -0.89 -2.47 119.26 121.79 1ib2 h ALA 992 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ib2 h ALA 992 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ib2 h ALA 992 CO -0.08 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.31 1ib2 n PHE 993 N -3.10 0.00 -1.67 0.00 0.99 -0.49 -4.79 117.46 108.40 1ib2 n PHE 993 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.00 1ib2 n PHE 993 Cb 0.22 -0.11 -0.04 0.00 -1.00 0.00 0.00 39.48 38.55 1ib2 n PHE 993 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1ib2 n LYS 994 N -0.80 2.61 -0.79 -1.08 3.00 -0.93 -0.59 118.16 119.57 1ib2 n LYS 994 Ca 0.18 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 1ib2 n LYS 994 Cb 0.24 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 32.42 1ib2 n LYS 994 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ib2 n GLY 995 N 4.36 1.10 0.48 3.14 0.00 -1.26 -4.82 105.19 108.19 1ib2 n GLY 995 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1ib2 n GLY 995 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ib2 n GLN 996 N -2.00 0.94 -0.30 1.61 1.13 0.24 -4.66 117.38 114.34 1ib2 n GLN 996 Ca 0.00 -1.31 -0.03 0.00 -1.94 0.00 0.00 57.00 53.71 1ib2 n GLN 996 Cb 0.00 -1.22 0.08 0.00 0.11 0.00 0.00 30.24 29.21 1ib2 n GLN 996 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ib2 h VAL 997 N 2.14 1.19 -0.23 5.09 2.07 -1.86 0.31 116.25 124.96 1ib2 h VAL 997 Ca 0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ib2 h VAL 997 Cb 0.51 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ib2 h VAL 997 CO 0.00 0.20 0.11 0.15 0.02 0.00 0.00 177.57 178.05 1ib2 h PHE 998 N 1.10 0.33 -0.73 1.57 3.04 -1.87 0.42 116.94 120.80 1ib2 h PHE 998 Ca 0.31 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.21 1ib2 h PHE 998 Cb -0.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 1ib2 h PHE 998 CO -0.02 0.33 0.34 0.00 -2.02 0.00 0.00 178.31 176.94 1ib2 h ALA 999 N 0.97 0.95 -0.04 2.41 0.00 -1.78 -2.67 119.26 119.10 1ib2 h ALA 999 Ca 0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1ib2 h ALA 999 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ib2 h ALA 999 CO -0.01 0.53 -0.58 -0.07 0.00 0.00 0.00 179.25 179.12 1ib2 h LEU 1000N 1.03 0.15 -0.90 0.00 3.38 -0.79 -2.98 115.31 115.20 1ib2 h LEU 1000Ca 0.25 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1ib2 h LEU 1000Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ib2 h LEU 1000CO -0.03 0.69 -0.03 0.28 0.09 0.00 0.00 178.44 179.44 1ib2 h SER 1001N 0.10 0.00 -0.51 -0.43 0.02 -0.72 -0.50 113.55 111.51 1ib2 h SER 1001Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ib2 h SER 1001Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1ib2 h SER 1001CO 0.08 0.03 0.01 0.35 -1.14 0.00 0.00 176.83 176.16 1ib2 n THR 1002N -3.12 2.67 -4.65 -2.27 -2.24 -1.02 -2.52 114.28 101.13 1ib2 n THR 1002Ca 0.02 -1.55 -0.34 0.00 -2.27 0.00 0.00 64.05 59.92 1ib2 n THR 1002Cb 0.40 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 1ib2 n THR 1002CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ib2 s HIS 1003N -2.81 2.90 0.54 4.78 5.04 -1.03 -4.80 115.29 119.91 1ib2 s HIS 1003Ca 0.52 -0.12 0.27 0.00 -1.54 0.00 0.00 55.06 54.19 1ib2 s HIS 1003Cb 0.40 -1.75 1.64 0.00 0.04 0.00 0.00 32.58 32.92 1ib2 s HIS 1003CO 0.14 0.20 2.19 -1.00 -2.34 0.00 0.00 174.74 173.93 1ib2 h PRO 1004N 5.62 0.00 0.00 2.88 0.13 -1.91 -0.61 132.00 138.11 1ib2 h PRO 1004Ca -0.43 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.30 1ib2 h PRO 1004Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1ib2 h PRO 1004CO 0.54 0.04 -2.40 0.66 -0.23 0.00 0.00 178.00 176.61 1ib2 n TYR 1005N -3.90 0.00 -0.13 1.56 0.53 -1.26 -4.45 117.16 109.51 1ib2 n TYR 1005Ca -0.03 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.96 1ib2 n TYR 1005Cb 0.13 -0.92 0.46 0.00 -1.03 0.00 0.00 39.34 37.97 1ib2 n TYR 1005CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1ib2 h GLY 1006N 0.48 0.74 2.00 2.72 0.00 -1.65 -1.80 103.07 105.54 1ib2 h GLY 1006Ca -0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1ib2 h GLY 1006CO -0.24 0.12 -0.12 0.00 0.00 0.00 0.00 176.54 176.31 1ib2 h ARG 1008N 0.00 0.52 -0.45 0.00 2.47 -1.56 -2.47 114.38 112.90 1ib2 h ARG 1008Ca -0.00 -0.40 -0.07 0.00 -1.26 0.00 0.00 59.98 58.24 1ib2 h ARG 1008Cb 0.24 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 1ib2 h ARG 1008CO 0.02 1.03 -0.01 0.28 0.56 0.00 0.00 179.97 181.84 1ib2 h VAL 1009N 0.37 1.26 -0.59 2.04 2.07 -1.25 -2.31 116.25 117.84 1ib2 h VAL 1009Ca -0.03 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1ib2 h VAL 1009Cb 1.28 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1ib2 h VAL 1009CO 0.13 0.37 0.37 0.40 0.02 0.00 0.00 177.57 178.85 1ib2 h ILE 1010N 0.64 1.09 -0.88 4.57 1.08 -1.36 -1.36 117.51 121.30 1ib2 h ILE 1010Ca 0.13 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1ib2 h ILE 1010Cb 0.51 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.51 1ib2 h ILE 1010CO 0.03 0.13 0.53 1.56 -0.69 0.00 0.00 178.15 179.70 1ib2 h GLN 1011N 0.73 1.19 -0.61 2.37 4.20 -1.24 -2.13 115.11 119.62 1ib2 h GLN 1011Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1ib2 h GLN 1011Cb -0.00 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 1ib2 h GLN 1011CO -0.09 0.84 0.36 0.00 -0.67 0.00 0.00 178.83 179.27 1ib2 h ARG 1012N 1.21 0.84 -0.55 1.46 2.47 -0.90 -2.14 114.38 116.77 1ib2 h ARG 1012Ca 0.31 -0.08 0.07 0.00 -1.26 0.00 0.00 59.98 59.02 1ib2 h ARG 1012Cb -0.04 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 28.05 1ib2 h ARG 1012CO -0.06 0.61 0.22 0.82 0.56 0.00 0.00 179.97 182.13 1ib2 h ILE 1013N 0.83 0.85 0.00 2.04 1.08 -0.78 -0.96 117.51 120.57 1ib2 h ILE 1013Ca 0.22 -0.15 -0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1ib2 h ILE 1013Cb -0.00 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1ib2 h ILE 1013CO -0.04 0.08 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.23 1ib2 h LEU 1014N 0.43 0.00 0.13 1.44 3.38 -0.91 -1.94 115.31 117.82 1ib2 h LEU 1014Ca 0.26 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 1ib2 h LEU 1014Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ib2 h LEU 1014CO -0.24 0.20 -1.51 -0.33 0.09 0.00 0.00 178.44 176.64 1ib2 h GLU 1015N 0.00 0.27 0.00 1.13 5.08 -0.72 -3.42 114.58 116.92 1ib2 h GLU 1015Ca -0.00 -0.46 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1ib2 h GLU 1015Cb 0.37 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1ib2 h GLU 1015CO 0.03 1.14 -1.64 0.72 -1.00 0.00 0.00 179.01 178.26 1ib2 n HIS 1016N -3.48 0.00 -1.61 4.33 8.25 -0.44 -5.06 115.22 117.22 1ib2 n HIS 1016Ca -0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.99 1ib2 n HIS 1016Cb 1.05 -0.41 0.06 0.00 1.12 0.00 0.00 29.99 31.81 1ib2 n HIS 1016CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ib2 s LEU 1018N -5.60 3.41 0.44 0.00 1.43 -1.26 -4.75 118.68 112.35 1ib2 s LEU 1018Ca 0.59 1.84 0.16 0.00 -1.03 0.00 0.00 54.13 55.69 1ib2 s LEU 1018Cb -0.14 -4.53 1.09 0.00 0.03 0.00 0.00 46.19 42.64 1ib2 s LEU 1018CO 0.54 -1.35 1.96 -0.65 0.23 0.00 0.00 176.35 177.08 1ib2 h PRO 1019N 0.15 0.35 0.00 1.29 0.11 -1.98 0.24 132.00 132.15 1ib2 h PRO 1019Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ib2 h PRO 1019Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ib2 h PRO 1019CO 0.56 0.23 0.00 0.38 -0.21 0.00 0.00 178.00 178.96 1ib2 h ASP 1020N 0.36 0.00 0.14 -2.05 2.03 -2.00 -0.69 116.42 114.20 1ib2 h ASP 1020Ca 0.31 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.25 1ib2 h ASP 1020Cb 0.72 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.17 1ib2 h ASP 1020CO -0.08 0.00 -2.16 0.00 -1.03 0.00 0.00 179.24 175.96 1ib2 n GLN 1021N -2.91 0.68 0.13 4.15 6.02 0.68 -4.30 117.38 121.84 1ib2 n GLN 1021Ca 0.01 0.17 0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1ib2 n GLN 1021Cb 0.27 -1.63 0.07 0.00 1.02 0.00 0.00 30.24 29.98 1ib2 n GLN 1021CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1ib2 h THR 1022N 0.02 1.10 -0.04 5.09 1.35 -1.01 -3.34 112.91 116.08 1ib2 h THR 1022Ca -0.47 -2.33 0.04 0.00 -0.55 0.00 0.00 66.41 63.10 1ib2 h THR 1022Cb 2.04 2.39 -0.06 0.00 -1.73 0.00 0.00 68.15 70.80 1ib2 h THR 1022CO 0.02 0.58 -0.38 0.25 -0.25 0.00 0.00 175.52 175.75 1ib2 h LEU 1023N 0.00 -1.15 -1.74 3.87 5.85 -1.31 0.16 115.31 120.99 1ib2 h LEU 1023Ca -0.01 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1ib2 h LEU 1023Cb 1.34 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1ib2 h LEU 1023CO 0.08 -0.42 -0.15 1.55 -0.34 0.00 0.00 178.44 179.16 1ib2 h PRO 1024N -0.51 0.00 0.05 5.25 0.13 -1.78 -0.45 132.00 134.69 1ib2 h PRO 1024Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ib2 h PRO 1024Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1ib2 h PRO 1024CO -0.32 0.15 -0.02 0.82 -0.23 0.00 0.00 178.00 178.39 1ib2 h ILE 1025N 0.00 1.22 -0.42 -3.56 1.08 -1.47 -2.63 117.51 111.74 1ib2 h ILE 1025Ca -0.00 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1ib2 h ILE 1025Cb 0.27 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1ib2 h ILE 1025CO 0.02 0.23 0.28 -0.07 -0.69 0.00 0.00 178.15 177.92 1ib2 h LEU 1026N -0.48 0.46 -0.42 1.44 3.38 -0.40 -0.87 115.31 118.43 1ib2 h LEU 1026Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ib2 h LEU 1026Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ib2 h LEU 1026CO 0.01 0.33 0.27 -0.08 0.09 0.00 0.00 178.44 179.06 1ib2 h GLU 1027N 0.54 0.56 -0.13 1.13 4.81 -0.96 0.17 114.58 120.70 1ib2 h GLU 1027Ca 0.16 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1ib2 h GLU 1027Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1ib2 h GLU 1027CO -0.03 0.39 -0.52 0.93 -0.73 0.00 0.00 179.01 179.04 1ib2 h GLU 1028N 0.56 0.37 -0.44 1.92 5.08 -1.00 -1.57 114.58 119.50 1ib2 h GLU 1028Ca 0.15 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ib2 h GLU 1028Cb -0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ib2 h GLU 1028CO -0.03 0.81 0.10 -0.07 -1.00 0.00 0.00 179.01 178.82 1ib2 h LEU 1029N 0.29 0.68 -0.77 1.33 3.38 -0.63 -2.56 115.31 117.03 1ib2 h LEU 1029Ca 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ib2 h LEU 1029Cb 1.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1ib2 h LEU 1029CO 0.09 0.74 0.28 0.45 0.09 0.00 0.00 178.44 180.10 1ib2 h HIS 1030N 0.59 1.19 -0.49 1.13 3.86 -0.48 -0.91 115.15 120.04 1ib2 h HIS 1030Ca 0.14 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1ib2 h HIS 1030Cb 0.33 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1ib2 h HIS 1030CO 0.02 0.91 0.32 1.96 0.86 0.00 0.00 177.93 182.01 1ib2 h GLN 1031N 1.12 0.59 -0.26 2.45 4.20 -1.13 -3.01 115.11 119.07 1ib2 h GLN 1031Ca 0.25 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1ib2 h GLN 1031Cb 0.25 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ib2 h GLN 1031CO -0.02 0.39 0.00 0.72 -0.67 0.00 0.00 178.83 179.26 1ib2 n HIS 1032N -4.47 0.87 -0.27 2.96 8.25 -0.97 -4.72 115.22 116.87 1ib2 n HIS 1032Ca 0.05 -0.85 0.03 0.00 -0.26 0.00 0.00 57.72 56.69 1ib2 n HIS 1032Cb 0.09 -0.29 0.17 0.00 1.12 0.00 0.00 29.99 31.08 1ib2 n HIS 1032CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ib2 h THR 1033N 1.75 0.83 -0.50 1.59 2.02 -1.04 -0.68 112.91 116.89 1ib2 h THR 1033Ca 0.00 -0.22 0.10 0.00 0.77 0.00 0.00 66.41 67.06 1ib2 h THR 1033Cb 1.37 0.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.81 1ib2 h THR 1033CO 0.20 0.12 -0.12 -0.08 0.37 0.00 0.00 175.52 176.01 1ib2 h GLU 1034N 0.65 0.01 -0.18 6.66 4.81 -1.85 -1.10 114.58 123.57 1ib2 h GLU 1034Ca 0.39 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1ib2 h GLU 1034Cb 0.44 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1ib2 h GLU 1034CO -0.29 0.00 -0.52 1.96 -0.73 0.00 0.00 179.01 179.43 1ib2 h GLN 1035N 0.01 0.67 -0.99 1.92 4.20 -1.82 -3.33 115.11 115.77 1ib2 h GLN 1035Ca 0.24 -0.48 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1ib2 h GLN 1035Cb 0.36 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1ib2 h GLN 1035CO -0.50 1.10 0.65 -0.07 -0.67 0.00 0.00 178.83 179.34 1ib2 h LEU 1036N 0.36 1.09 -2.34 1.46 3.38 -0.41 -2.24 115.31 116.62 1ib2 h LEU 1036Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ib2 h LEU 1036Cb 1.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ib2 h LEU 1036CO 0.11 0.76 -0.04 -0.37 0.09 0.00 0.00 178.44 178.99 1ib2 h VAL 1037N 1.27 0.27 -0.01 1.22 -1.51 -1.34 -1.18 116.25 114.97 1ib2 h VAL 1037Ca 0.39 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 1ib2 h VAL 1037Cb -0.04 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1ib2 h VAL 1037CO -0.11 0.04 -0.44 0.00 -1.23 0.00 0.00 177.57 175.82 1ib2 n GLN 1038N -3.39 0.93 -2.97 5.19 6.02 -0.86 -2.18 117.38 120.13 1ib2 n GLN 1038Ca -0.02 -0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 55.91 1ib2 n GLN 1038Cb 0.16 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 1ib2 n GLN 1038CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ib2 s ASP 1039N -2.55 7.18 0.52 1.08 2.15 -0.54 -4.76 116.67 119.76 1ib2 s ASP 1039Ca 0.19 1.59 0.18 0.00 0.43 0.00 0.00 52.55 54.95 1ib2 s ASP 1039Cb 0.18 -2.49 1.31 0.00 -0.30 0.00 0.00 42.92 41.63 1ib2 s ASP 1039CO 0.58 0.00 2.12 0.06 -0.17 0.00 0.00 175.17 177.77 1ib2 h GLN 1040N 3.36 0.00 0.00 4.34 3.07 -1.92 -2.13 115.11 121.83 1ib2 h GLN 1040Ca -0.47 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.04 1ib2 h GLN 1040Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.71 1ib2 h GLN 1040CO 0.65 0.00 -1.84 0.66 0.09 0.00 0.00 178.83 178.39 1ib2 n TYR 1041N -4.49 0.00 -0.15 0.06 0.53 -1.26 -4.63 117.16 107.21 1ib2 n TYR 1041Ca -0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.94 1ib2 n TYR 1041Cb 0.19 -0.58 0.37 0.00 -1.03 0.00 0.00 39.34 38.29 1ib2 n TYR 1041CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1ib2 h GLY 1042N 1.59 0.88 1.85 2.72 0.00 -1.41 -2.02 103.07 106.67 1ib2 h GLY 1042Ca -0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1ib2 h GLY 1042CO -0.03 0.22 0.04 3.45 0.00 0.00 0.00 176.54 180.22 1ib2 h ASN 1043N 0.71 0.17 0.14 0.19 7.08 -0.60 -1.97 115.58 121.30 1ib2 h ASN 1043Ca 0.29 -0.01 -0.13 0.00 -3.08 0.00 0.00 56.30 53.37 1ib2 h ASN 1043Cb 0.24 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.43 1ib2 h ASN 1043CO -0.09 0.18 -0.48 1.88 -2.08 0.00 0.00 177.43 176.84 1ib2 h TYR 1044N 0.20 0.48 -0.50 4.14 -1.99 -1.64 0.87 116.97 118.54 1ib2 h TYR 1044Ca 0.05 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 1ib2 h TYR 1044Cb 0.07 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 1ib2 h TYR 1044CO 0.00 0.80 0.10 0.28 -0.00 0.00 0.00 178.16 179.34 1ib2 h VAL 1045N 0.32 1.25 -0.53 -2.88 2.07 -1.38 -0.70 116.25 114.39 1ib2 h VAL 1045Ca 0.02 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1ib2 h VAL 1045Cb 0.97 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1ib2 h VAL 1045CO 0.08 0.32 0.09 0.40 0.02 0.00 0.00 177.57 178.49 1ib2 h ILE 1046N 0.70 1.25 -0.96 4.57 1.08 -1.21 -2.17 117.51 120.77 1ib2 h ILE 1046Ca 0.15 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.73 1ib2 h ILE 1046Cb 0.37 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 1ib2 h ILE 1046CO 0.01 0.34 0.63 1.56 -0.69 0.00 0.00 178.15 179.99 1ib2 h GLN 1047N 0.77 1.13 -0.35 2.37 4.20 -0.58 -1.43 115.11 121.21 1ib2 h GLN 1047Ca 0.16 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1ib2 h GLN 1047Cb 0.40 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1ib2 h GLN 1047CO 0.01 0.75 0.09 1.25 -0.67 0.00 0.00 178.83 180.26 1ib2 h HIS 1048N 1.16 0.16 -0.73 2.96 2.76 -0.51 0.22 115.15 121.17 1ib2 h HIS 1048Ca 0.40 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.55 1ib2 h HIS 1048Cb 0.10 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1ib2 h HIS 1048CO -0.00 0.05 0.31 0.28 -1.30 0.00 0.00 177.93 177.27 1ib2 h VAL 1049N 0.22 1.24 -0.46 5.26 2.07 -0.96 0.25 116.25 123.87 1ib2 h VAL 1049Ca 0.16 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1ib2 h VAL 1049Cb 0.16 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ib2 h VAL 1049CO -0.19 0.30 -0.01 -0.07 0.02 0.00 0.00 177.57 177.62 1ib2 h LEU 1050N 1.05 0.73 0.08 2.57 3.38 -0.18 0.52 115.31 123.45 1ib2 h LEU 1050Ca 0.25 -0.17 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1ib2 h LEU 1050Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ib2 h LEU 1050CO -0.03 0.80 -1.24 -0.33 0.09 0.00 0.00 178.44 177.74 1ib2 h GLU 1051N 0.71 0.17 0.00 1.13 5.08 0.03 -3.40 114.58 118.30 1ib2 h GLU 1051Ca 0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ib2 h GLU 1051Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ib2 h GLU 1051CO 0.02 1.10 0.00 0.72 -1.00 0.00 0.00 179.01 179.85 1ib2 n HIS 1052N -3.44 0.00 -1.67 4.33 8.25 0.81 -5.09 115.22 118.41 1ib2 n HIS 1052Ca -0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 1ib2 n HIS 1052Cb 1.00 0.00 0.15 0.00 1.12 0.00 0.00 29.99 32.26 1ib2 n HIS 1052CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ib2 s GLY 1053N -0.41 1.64 0.54 -1.41 0.00 0.18 -5.00 107.32 102.86 1ib2 s GLY 1053Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.75 1ib2 s GLY 1053CO 0.00 -0.15 1.04 0.50 0.00 0.00 0.00 173.10 174.48 1ib2 s ARG 1054N -5.54 3.60 0.21 2.90 0.52 -1.26 -4.84 118.95 114.53 1ib2 s ARG 1054Ca 0.67 1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 57.00 1ib2 s ARG 1054Cb -0.10 -2.07 0.27 0.00 0.52 0.00 0.00 34.95 33.56 1ib2 s ARG 1054CO 0.53 -0.58 1.75 -1.35 0.02 0.00 0.00 175.30 175.66 1ib2 h PRO 1055N 0.92 0.42 -0.65 3.54 0.11 -1.96 -0.91 132.00 133.46 1ib2 h PRO 1055Ca -0.48 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.73 1ib2 h PRO 1055Cb 1.21 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 1ib2 h PRO 1055CO 0.59 0.28 0.16 0.93 -0.21 0.00 0.00 178.00 179.74 1ib2 h GLU 1056N 0.43 0.28 -0.21 1.05 3.07 -2.00 0.95 114.58 118.16 1ib2 h GLU 1056Ca 0.30 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.99 1ib2 h GLU 1056Cb 0.35 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ib2 h GLU 1056CO -0.29 0.18 -0.51 -0.44 -1.40 0.00 0.00 179.01 176.55 1ib2 h ASP 1057N 0.29 0.65 -0.12 1.42 3.32 -1.74 -2.89 116.42 117.35 1ib2 h ASP 1057Ca 0.35 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1ib2 h ASP 1057Cb 0.54 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1ib2 h ASP 1057CO -0.43 1.05 -0.23 0.11 -1.72 0.00 0.00 179.24 178.01 1ib2 h LYS 1058N 0.46 0.55 -0.59 3.56 1.57 -0.08 -2.92 116.57 119.13 1ib2 h LYS 1058Ca 0.02 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1ib2 h LYS 1058Cb 1.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1ib2 h LYS 1058CO 0.10 0.75 0.07 0.77 -0.57 0.00 0.00 179.45 180.56 1ib2 h SER 1059N 0.49 0.93 -0.66 0.86 0.02 -0.79 -0.66 113.55 113.74 1ib2 h SER 1059Ca 0.07 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1ib2 h SER 1059Cb 0.67 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1ib2 h SER 1059CO 0.05 0.95 0.14 0.11 -1.14 0.00 0.00 176.83 176.94 1ib2 h LYS 1060N 0.91 1.07 -0.31 3.45 1.57 -1.36 -0.01 116.57 121.90 1ib2 h LYS 1060Ca 0.18 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1ib2 h LYS 1060Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ib2 h LYS 1060CO 0.01 0.97 -0.06 0.82 -0.57 0.00 0.00 179.45 180.63 1ib2 h ILE 1061N 1.00 1.28 -1.00 1.86 2.04 -1.32 -2.47 117.51 118.90 1ib2 h ILE 1061Ca 0.21 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 65.04 1ib2 h ILE 1061Cb 0.39 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1ib2 h ILE 1061CO 0.01 0.35 0.65 0.58 0.00 0.00 0.00 178.15 179.73 1ib2 h VAL 1062N 0.37 1.11 -0.58 1.67 2.07 -0.85 -1.06 116.25 118.99 1ib2 h VAL 1062Ca 0.08 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ib2 h VAL 1062Cb 0.54 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1ib2 h VAL 1062CO 0.03 0.22 0.38 0.00 0.02 0.00 0.00 177.57 178.22 1ib2 h ALA 1063N 1.45 1.67 -0.24 1.67 0.00 -0.61 0.98 119.26 124.17 1ib2 h ALA 1063Ca 0.42 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1ib2 h ALA 1063Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ib2 h ALA 1063CO -0.16 0.28 -0.39 0.93 0.00 0.00 0.00 179.25 179.92 1ib2 h GLU 1064N 0.71 0.56 0.03 0.00 4.39 -0.77 -3.10 114.58 116.40 1ib2 h GLU 1064Ca 0.23 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.42 1ib2 h GLU 1064Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ib2 h GLU 1064CO -0.06 0.86 -0.99 0.82 -1.16 0.00 0.00 179.01 178.48 1ib2 h ILE 1065N 0.47 1.43 -2.17 3.13 5.03 -0.82 -3.44 117.51 121.14 1ib2 h ILE 1065Ca 0.04 -2.58 -0.60 0.00 -0.12 0.00 0.00 64.86 61.60 1ib2 h ILE 1065Cb 0.88 2.53 0.05 0.00 -3.03 0.00 0.00 36.82 37.25 1ib2 h ILE 1065CO 0.08 0.76 0.76 -1.14 -0.68 0.00 0.00 178.15 177.93 1ib2 n ARG 1066N -3.70 1.99 -0.39 2.37 0.63 0.25 -0.74 116.66 117.09 1ib2 n ARG 1066Ca -0.07 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1ib2 n ARG 1066Cb 0.87 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1ib2 n ARG 1066CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ib2 n GLY 1067N 3.34 1.07 0.10 5.14 0.00 -1.26 -4.81 105.19 108.76 1ib2 n GLY 1067Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1ib2 n GLY 1067CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ib2 n ASN 1068N 0.00 0.83 -0.20 1.61 3.02 0.09 -4.86 115.26 115.75 1ib2 n ASN 1068Ca 0.00 -1.71 -0.01 0.00 -0.03 0.00 0.00 54.58 52.84 1ib2 n ASN 1068Cb 0.00 -0.09 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1ib2 n ASN 1068CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1ib2 h VAL 1069N 2.53 0.79 0.20 2.41 2.07 -1.83 -1.53 116.25 120.89 1ib2 h VAL 1069Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ib2 h VAL 1069Cb 0.93 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ib2 h VAL 1069CO 0.00 0.08 -0.20 0.25 0.02 0.00 0.00 177.57 177.71 1ib2 h LEU 1070N 0.42 -0.54 -0.49 2.57 5.85 -1.91 -1.46 115.31 119.74 1ib2 h LEU 1070Ca 0.29 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 1ib2 h LEU 1070Cb 0.35 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1ib2 h LEU 1070CO -0.29 -0.30 -0.44 1.62 -0.34 0.00 0.00 178.44 178.70 1ib2 h VAL 1071N -0.43 1.29 0.00 1.05 3.04 -1.88 -3.21 116.25 116.11 1ib2 h VAL 1071Ca 0.00 -1.62 -0.11 0.00 -1.01 0.00 0.00 66.70 63.96 1ib2 h VAL 1071Cb 0.41 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 1ib2 h VAL 1071CO -0.05 0.53 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.44 1ib2 h LEU 1072N 0.60 0.00 -1.78 3.16 3.38 -1.29 -3.08 115.31 116.30 1ib2 h LEU 1072Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ib2 h LEU 1072Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1ib2 h LEU 1072CO 0.09 0.52 -0.02 0.28 0.09 0.00 0.00 178.44 179.41 1ib2 h SER 1073N 0.00 0.10 -0.41 -0.43 0.02 -1.26 -1.50 113.55 110.06 1ib2 h SER 1073Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ib2 h SER 1073Cb 1.14 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1ib2 h SER 1073CO 0.07 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 1ib2 n GLN 1074N -4.45 2.00 -3.65 3.45 6.02 -1.16 -1.17 117.38 118.41 1ib2 n GLN 1074Ca -0.02 -1.54 -0.36 0.00 -0.01 0.00 0.00 57.00 55.07 1ib2 n GLN 1074Cb 0.14 -1.35 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 1ib2 n GLN 1074CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ib2 s HIS 1075N -1.45 3.44 0.23 1.08 2.46 -0.62 -4.87 115.29 115.56 1ib2 s HIS 1075Ca 0.30 0.45 -0.16 0.00 0.47 0.00 0.00 55.06 56.12 1ib2 s HIS 1075Cb 0.16 -2.23 0.26 0.00 -0.13 0.00 0.00 32.58 30.63 1ib2 s HIS 1075CO 0.21 0.28 1.56 -0.22 -2.47 0.00 0.00 174.74 174.10 1ib2 h LYS 1076N 6.62 -0.03 0.04 2.88 3.64 -1.90 -0.49 116.57 127.34 1ib2 h LYS 1076Ca -0.41 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.60 1ib2 h LYS 1076Cb 1.16 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1ib2 h LYS 1076CO 0.75 -0.02 -2.09 1.19 -2.27 0.00 0.00 179.45 177.01 1ib2 n PHE 1077N -5.49 0.64 0.26 1.91 3.01 -1.26 -4.35 117.46 112.17 1ib2 n PHE 1077Ca 0.10 0.18 0.08 0.00 1.01 0.00 0.00 57.45 58.82 1ib2 n PHE 1077Cb 0.41 -1.08 0.65 0.00 -0.01 0.00 0.00 39.48 39.45 1ib2 n PHE 1077CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ib2 h ALA 1078N -0.24 1.97 -0.48 4.37 0.00 -1.41 -1.08 119.26 122.39 1ib2 h ALA 1078Ca -0.50 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1ib2 h ALA 1078Cb 1.78 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1ib2 h ALA 1078CO -0.11 0.00 0.32 0.66 0.00 0.00 0.00 179.25 180.13 1ib2 h SER 1079N 0.00 0.30 -0.69 0.00 4.64 -0.45 -0.16 113.55 117.20 1ib2 h SER 1079Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1ib2 h SER 1079Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1ib2 h SER 1079CO 0.00 0.19 0.28 0.78 -0.87 0.00 0.00 176.83 177.21 1ib2 h ASN 1080N 0.34 0.95 -0.40 4.97 2.35 -1.41 -1.15 115.58 121.23 1ib2 h ASN 1080Ca 0.21 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1ib2 h ASN 1080Cb 0.40 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1ib2 h ASN 1080CO -0.05 0.86 -0.14 0.58 -1.65 0.00 0.00 177.43 177.04 1ib2 h VAL 1081N 0.98 1.28 -0.55 2.81 2.07 -1.14 -1.42 116.25 120.29 1ib2 h VAL 1081Ca 0.23 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1ib2 h VAL 1081Cb 0.21 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1ib2 h VAL 1081CO -0.02 0.42 0.34 0.58 0.02 0.00 0.00 177.57 178.91 1ib2 h VAL 1082N 0.60 1.08 -0.19 2.57 2.07 -1.03 -0.23 116.25 121.13 1ib2 h VAL 1082Ca 0.10 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1ib2 h VAL 1082Cb 0.67 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1ib2 h VAL 1082CO 0.05 0.12 -0.00 -0.08 0.02 0.00 0.00 177.57 177.68 1ib2 h GLU 1083N 0.68 0.06 0.00 1.57 4.22 -1.06 -1.60 114.58 118.44 1ib2 h GLU 1083Ca 0.21 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.62 1ib2 h GLU 1083Cb -0.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ib2 h GLU 1083CO -0.08 0.04 -0.14 0.87 -2.18 0.00 0.00 179.01 177.51 1ib2 h LYS 1084N 0.06 0.00 -0.21 1.92 1.79 -0.72 -1.81 116.57 117.60 1ib2 h LYS 1084Ca 0.09 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1ib2 h LYS 1084Cb 0.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ib2 h LYS 1084CO -0.15 0.14 -0.16 0.00 -1.08 0.00 0.00 179.45 178.21 1ib2 h VAL 1086N 0.16 1.18 -0.01 0.00 2.07 -0.77 0.46 116.25 119.34 1ib2 h VAL 1086Ca 0.04 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 66.90 1ib2 h VAL 1086Cb 0.68 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1ib2 h VAL 1086CO 0.04 0.22 -0.96 0.74 0.02 0.00 0.00 177.57 177.63 1ib2 h THR 1087N 1.22 1.34 -0.09 2.57 2.02 -1.17 -3.39 112.91 115.41 1ib2 h THR 1087Ca 0.37 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1ib2 h THR 1087Cb -0.02 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1ib2 h THR 1087CO -0.11 0.70 0.00 1.41 0.37 0.00 0.00 175.52 177.89 1ib2 n HIS 1088N -3.81 0.10 -1.62 3.16 8.25 0.36 -5.03 115.22 116.64 1ib2 n HIS 1088Ca -0.08 -0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 56.93 1ib2 n HIS 1088Cb 0.84 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 32.03 1ib2 n HIS 1088CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ib2 s ALA 1089N -0.79 2.29 1.35 -1.41 0.00 0.14 -5.02 121.76 118.32 1ib2 s ALA 1089Ca 0.12 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 1ib2 s ALA 1089Cb 0.08 -3.07 0.35 0.00 0.00 0.00 0.00 23.12 20.47 1ib2 s ALA 1089CO 0.11 -1.73 0.96 -1.54 0.00 0.00 0.00 175.76 173.55 1ib2 s SER 1090N -4.03 -0.51 0.06 0.00 1.04 -1.26 -4.62 113.70 104.37 1ib2 s SER 1090Ca 0.61 1.05 -0.31 0.00 0.48 0.00 0.00 55.95 57.78 1ib2 s SER 1090Cb -0.14 -1.55 -0.18 0.00 0.10 0.00 0.00 66.02 64.25 1ib2 s SER 1090CO 0.53 -5.05 1.52 -0.09 0.98 0.00 0.00 173.24 171.13 1ib2 h ARG 1091N -3.21 -0.81 -0.53 4.02 9.65 -2.00 -0.68 114.38 120.82 1ib2 h ARG 1091Ca -0.49 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1ib2 h ARG 1091Cb 1.34 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 30.08 1ib2 h ARG 1091CO 0.35 -0.51 0.34 1.79 2.80 0.00 0.00 179.97 184.74 1ib2 h THR 1092N -0.92 1.14 -0.28 0.20 1.35 -2.00 -2.50 112.91 109.91 1ib2 h THR 1092Ca -0.09 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.43 1ib2 h THR 1092Cb 0.67 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1ib2 h THR 1092CO 0.14 0.14 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.20 1ib2 h GLU 1093N 0.73 0.52 -0.83 4.72 5.08 -1.84 -1.52 114.58 121.43 1ib2 h GLU 1093Ca 0.19 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ib2 h GLU 1093Cb -0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1ib2 h GLU 1093CO -0.04 0.70 0.54 0.00 -1.00 0.00 0.00 179.01 179.21 1ib2 h ARG 1094N 0.29 1.05 0.67 2.33 3.08 -0.88 -1.77 114.38 119.14 1ib2 h ARG 1094Ca 0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1ib2 h ARG 1094Cb 0.48 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ib2 h ARG 1094CO 0.02 0.69 -0.42 0.00 -1.07 0.00 0.00 179.97 179.20 1ib2 h ALA 1095N 1.33 -1.06 -1.00 0.04 0.00 -1.24 -0.11 119.26 117.22 1ib2 h ALA 1095Ca 0.32 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.24 1ib2 h ALA 1095Cb -0.05 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 1ib2 h ALA 1095CO -0.09 -1.11 0.61 0.28 0.00 0.00 0.00 179.25 178.94 1ib2 h VAL 1096N -1.03 0.62 -0.18 0.00 2.07 -1.04 0.18 116.25 116.88 1ib2 h VAL 1096Ca -0.08 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 1ib2 h VAL 1096Cb 0.83 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ib2 h VAL 1096CO 0.08 0.12 -0.32 -0.07 0.02 0.00 0.00 177.57 177.40 1ib2 h LEU 1097N 0.64 0.59 -0.27 2.57 3.38 -0.89 -1.74 115.31 119.59 1ib2 h LEU 1097Ca 0.60 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1ib2 h LEU 1097Cb 1.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ib2 h LEU 1097CO -0.40 1.02 0.07 0.40 0.09 0.00 0.00 178.44 179.62 1ib2 h ILE 1098N 0.18 1.21 -0.13 1.22 2.04 -0.09 -2.80 117.51 119.15 1ib2 h ILE 1098Ca 0.01 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1ib2 h ILE 1098Cb 0.91 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 1ib2 h ILE 1098CO 0.07 0.23 -0.30 -0.78 0.00 0.00 0.00 178.15 177.37 1ib2 h ASP 1099N 0.26 -0.94 -1.05 1.72 3.58 -0.69 -1.43 116.42 117.86 1ib2 h ASP 1099Ca 0.08 0.14 0.29 0.00 0.42 0.00 0.00 57.03 57.96 1ib2 h ASP 1099Cb 0.28 0.40 -0.12 0.00 1.72 0.00 0.00 39.33 41.62 1ib2 h ASP 1099CO 0.00 -0.34 0.65 -0.08 -2.88 0.00 0.00 179.24 176.58 1ib2 h GLU 1100N -0.38 0.40 0.00 0.28 4.81 -1.12 0.61 114.58 119.17 1ib2 h GLU 1100Ca 0.10 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1ib2 h GLU 1100Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1ib2 h GLU 1100CO -0.34 0.26 -0.40 0.28 -0.73 0.00 0.00 179.01 178.08 1ib2 h VAL 1101N 0.41 0.86 0.14 0.32 2.07 -1.01 -2.53 116.25 116.51 1ib2 h VAL 1101Ca 0.66 -1.69 -0.18 0.00 0.82 0.00 0.00 66.70 66.31 1ib2 h VAL 1101Cb 1.56 2.05 0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1ib2 h VAL 1101CO -0.42 0.39 -0.81 0.00 0.02 0.00 0.00 177.57 176.75 1ib2 n THR 1103N -4.13 0.00 -3.12 0.00 -2.24 -0.88 -4.74 114.28 99.18 1ib2 n THR 1103Ca -0.14 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1ib2 n THR 1103Cb 0.82 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1ib2 n THR 1103CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1ib2 s MET 1104N -2.21 3.88 0.26 -0.78 0.00 -0.95 -4.99 119.30 114.50 1ib2 s MET 1104Ca 0.36 0.50 0.11 0.00 0.00 0.00 0.00 55.69 56.66 1ib2 s MET 1104Cb 0.21 -2.47 -0.05 0.00 0.00 0.00 0.00 34.83 32.52 1ib2 s MET 1104CO 0.41 0.13 -0.14 0.54 0.00 0.00 0.00 175.02 175.96 1ib2 s ASN 1105N -2.60 3.88 -0.41 1.11 4.22 -1.26 -0.31 114.94 119.56 1ib2 s ASN 1105Ca 0.51 -0.88 0.05 0.00 -2.14 0.00 0.00 52.86 50.41 1ib2 s ASN 1105Cb -0.10 -0.47 0.20 0.00 1.28 0.00 0.00 41.25 42.15 1ib2 s ASN 1105CO 0.23 0.04 0.43 -0.67 -2.04 0.00 0.00 177.10 175.09 1ib2 n ASP 1106N -0.55 -0.55 0.00 3.54 2.03 0.13 -4.57 116.55 116.58 1ib2 n ASP 1106Ca -0.07 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.73 1ib2 n ASP 1106Cb 0.59 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1ib2 n ASP 1106CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ib2 n GLY 1107N 2.41 2.90 0.00 0.27 0.00 -1.26 -3.10 105.19 106.41 1ib2 n GLY 1107Ca 0.26 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1ib2 n GLY 1107CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ib2 n PRO 1108N 12.91 0.44 -2.25 1.61 -0.02 -1.26 -4.86 135.00 141.57 1ib2 n PRO 1108Ca 0.00 0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1ib2 n PRO 1108Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1ib2 n PRO 1108CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ib2 n HIS 1109N -1.09 -0.50 -2.20 6.00 8.25 -1.18 -5.17 115.22 119.33 1ib2 n HIS 1109Ca 0.11 -0.57 -0.26 0.00 -0.26 0.00 0.00 57.72 56.74 1ib2 n HIS 1109Cb 0.08 0.11 0.06 0.00 1.12 0.00 0.00 29.99 31.36 1ib2 n HIS 1109CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ib2 s SER 1110N -1.51 4.96 0.07 0.41 1.04 -1.26 0.21 113.70 117.62 1ib2 s SER 1110Ca 0.07 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.87 1ib2 s SER 1110Cb -0.00 -1.27 -0.11 0.00 0.10 0.00 0.00 66.02 64.74 1ib2 s SER 1110CO 0.05 -1.51 1.47 0.00 0.98 0.00 0.00 173.24 174.23 1ib2 h ALA 1111N -0.56 0.27 -0.98 5.32 0.00 -0.82 -2.93 119.26 119.54 1ib2 h ALA 1111Ca -0.45 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.37 1ib2 h ALA 1111Cb 1.30 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1ib2 h ALA 1111CO 0.61 0.01 0.62 -0.07 0.00 0.00 0.00 179.25 180.42 1ib2 h LEU 1112N 0.09 0.84 0.17 0.00 3.38 -1.79 -1.43 115.31 116.58 1ib2 h LEU 1112Ca 0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ib2 h LEU 1112Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ib2 h LEU 1112CO 0.02 0.41 -0.20 0.22 0.09 0.00 0.00 178.44 178.97 1ib2 h TYR 1113N 0.88 -0.54 -0.73 1.13 3.20 -1.86 -1.84 116.97 117.21 1ib2 h TYR 1113Ca 0.51 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.32 1ib2 h TYR 1113Cb 0.64 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1ib2 h TYR 1113CO -0.00 -0.30 0.23 1.15 -1.64 0.00 0.00 178.16 177.59 1ib2 h THR 1114N -0.42 1.26 -0.35 1.81 2.02 -1.28 -3.28 112.91 112.67 1ib2 h THR 1114Ca 0.01 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1ib2 h THR 1114Cb 0.41 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ib2 h THR 1114CO -0.07 0.36 -0.08 0.24 0.37 0.00 0.00 175.52 176.34 1ib2 h MET 1115N 1.09 0.67 -0.85 6.66 2.86 -1.13 -3.20 114.93 121.03 1ib2 h MET 1115Ca 0.24 -0.25 0.20 0.00 -2.06 0.00 0.00 59.70 57.82 1ib2 h MET 1115Cb 0.31 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1ib2 h MET 1115CO -0.01 0.83 0.58 0.00 1.06 0.00 0.00 176.91 179.37 1ib2 h MET 1116N 0.46 0.31 -0.21 1.72 -0.00 -1.39 -1.95 114.93 113.87 1ib2 h MET 1116Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1ib2 h MET 1116Cb 0.58 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1ib2 h MET 1116CO 0.03 0.20 0.00 0.36 -0.00 0.00 0.00 176.91 177.51 1ib2 n LYS 1117N -4.46 2.32 -2.86 -0.10 2.85 -1.23 -4.55 118.16 110.14 1ib2 n LYS 1117Ca 0.18 -2.07 -0.39 0.00 -1.05 0.00 0.00 58.31 54.98 1ib2 n LYS 1117Cb 0.71 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.56 1ib2 n LYS 1117CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ib2 s ASP 1118N -1.65 7.47 0.64 -5.58 2.15 -0.78 -4.95 116.67 113.97 1ib2 s ASP 1118Ca 0.32 1.79 0.39 0.00 0.43 0.00 0.00 52.55 55.48 1ib2 s ASP 1118Cb 0.21 -2.55 2.19 0.00 -0.30 0.00 0.00 42.92 42.46 1ib2 s ASP 1118CO 0.30 0.13 2.32 0.06 -0.17 0.00 0.00 175.17 177.80 1ib2 h GLN 1119N 4.00 0.00 0.00 4.34 3.07 -1.93 -2.63 115.11 121.95 1ib2 h GLN 1119Ca -0.46 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.07 1ib2 h GLN 1119Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 1ib2 h GLN 1119CO 0.67 0.00 -1.73 0.66 0.09 0.00 0.00 178.83 178.52 1ib2 n TYR 1120N -3.37 0.00 0.31 0.06 4.02 -1.26 -4.67 117.16 112.26 1ib2 n TYR 1120Ca -0.03 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.06 1ib2 n TYR 1120Cb 0.09 -0.48 1.02 0.00 -0.02 0.00 0.00 39.34 39.96 1ib2 n TYR 1120CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ib2 h ALA 1121N -0.28 1.11 -0.41 -0.72 0.00 -1.16 -2.77 119.26 115.02 1ib2 h ALA 1121Ca -0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ib2 h ALA 1121Cb 1.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ib2 h ALA 1121CO -0.14 0.02 0.13 -2.95 0.00 0.00 0.00 179.25 176.31 1ib2 h ASN 1122N 0.00 0.53 -0.08 0.00 7.08 -1.05 -2.36 115.58 119.71 1ib2 h ASN 1122Ca -0.00 -0.06 -0.08 0.00 -3.08 0.00 0.00 56.30 53.08 1ib2 h ASN 1122Cb 0.14 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 36.22 1ib2 h ASN 1122CO 0.00 0.51 -0.17 1.88 -2.08 0.00 0.00 177.43 177.57 1ib2 h TYR 1123N 0.58 0.49 -0.51 4.14 -1.99 -1.78 -0.39 116.97 117.51 1ib2 h TYR 1123Ca 0.14 -0.08 -0.13 0.00 2.00 0.00 0.00 58.73 60.66 1ib2 h TYR 1123Cb 0.17 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1ib2 h TYR 1123CO 0.01 0.60 -0.19 0.28 -0.00 0.00 0.00 178.16 178.86 1ib2 h VAL 1124N 0.41 1.27 -0.45 -2.88 2.07 -1.58 -1.48 116.25 113.61 1ib2 h VAL 1124Ca 0.07 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1ib2 h VAL 1124Cb 0.54 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1ib2 h VAL 1124CO 0.03 0.47 0.11 0.58 0.02 0.00 0.00 177.57 178.79 1ib2 h VAL 1125N 0.88 1.23 0.75 2.57 2.07 -1.07 -0.34 116.25 122.34 1ib2 h VAL 1125Ca 0.12 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1ib2 h VAL 1125Cb 0.77 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ib2 h VAL 1125CO 0.06 0.28 -0.50 -0.61 0.02 0.00 0.00 177.57 176.82 1ib2 h GLN 1126N 0.59 -1.14 -0.45 1.57 4.15 -0.91 -2.43 115.11 116.49 1ib2 h GLN 1126Ca 0.14 0.08 0.12 0.00 0.77 0.00 0.00 58.65 59.76 1ib2 h GLN 1126Cb 0.31 0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1ib2 h GLN 1126CO 0.00 -0.76 0.32 -0.22 -1.93 0.00 0.00 178.83 176.24 1ib2 h LYS 1127N -1.19 0.05 -0.14 1.69 1.63 -1.23 0.24 116.57 117.63 1ib2 h LYS 1127Ca -0.10 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 1ib2 h LYS 1127Cb 0.96 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1ib2 h LYS 1127CO 0.07 0.03 -0.26 0.52 -3.45 0.00 0.00 179.45 176.37 1ib2 h MET 1128N 0.05 0.25 0.54 1.90 2.86 -0.65 -2.54 114.93 117.34 1ib2 h MET 1128Ca 0.21 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1ib2 h MET 1128Cb 0.78 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.43 1ib2 h MET 1128CO -0.01 0.49 -0.26 0.82 1.06 0.00 0.00 176.91 179.01 1ib2 h ILE 1129N 0.22 0.00 -0.16 -1.22 1.08 -0.08 0.44 117.51 117.79 1ib2 h ILE 1129Ca 0.04 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1ib2 h ILE 1129Cb 0.58 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1ib2 h ILE 1129CO 0.04 0.00 0.55 0.44 -0.69 0.00 0.00 178.15 178.49 1ib2 h ASP 1130N -1.05 0.00 0.00 1.72 3.32 -1.41 -1.58 116.42 117.42 1ib2 h ASP 1130Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ib2 h ASP 1130Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1ib2 h ASP 1130CO 0.12 0.00 -1.10 1.33 -1.72 0.00 0.00 179.24 177.87 1ib2 n VAL 1131N -3.00 0.00 -1.82 -1.35 0.24 -0.96 -5.01 118.33 106.42 1ib2 n VAL 1131Ca 0.02 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1ib2 n VAL 1131Cb 0.63 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1ib2 n VAL 1131CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib2 s ALA 1132N -2.30 3.69 0.27 2.33 0.00 0.15 -4.93 121.76 120.97 1ib2 s ALA 1132Ca -0.01 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 1ib2 s ALA 1132Cb 0.05 -3.75 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 1ib2 s ALA 1132CO 0.29 -1.24 1.62 0.39 0.00 0.00 0.00 175.76 176.82 1ib2 n GLU 1133N 6.05 2.71 -0.12 0.00 1.02 -1.26 -4.48 120.64 124.56 1ib2 n GLU 1133Ca 0.17 0.97 0.05 0.00 -0.02 0.00 0.00 57.16 58.33 1ib2 n GLU 1133Cb 0.40 -2.76 0.11 0.00 -0.02 0.00 0.00 31.44 29.17 1ib2 n GLU 1133CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ib2 n PRO 1134N 2.55 -0.03 0.03 3.49 -0.02 -1.26 -0.59 135.00 139.17 1ib2 n PRO 1134Ca 0.10 0.50 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1ib2 n PRO 1134Cb 0.36 -0.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.96 1ib2 n PRO 1134CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ib2 h GLY 1135N 0.00 -0.94 2.00 -1.23 0.00 -2.02 -2.60 103.07 98.28 1ib2 h GLY 1135Ca 0.21 0.60 -0.11 0.00 0.00 0.00 0.00 47.33 48.03 1ib2 h GLY 1135CO -0.31 -0.23 -0.52 1.46 0.00 0.00 0.00 176.54 176.94 1ib2 h GLN 1136N -0.59 0.00 -0.54 4.80 4.20 -1.19 -3.28 115.11 118.52 1ib2 h GLN 1136Ca 0.04 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.82 1ib2 h GLN 1136Cb 0.68 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 1ib2 h GLN 1136CO -0.38 0.52 0.21 -0.09 -0.67 0.00 0.00 178.83 178.42 1ib2 h ARG 1137N 0.00 0.40 0.29 1.46 2.43 -1.06 -0.16 114.38 117.74 1ib2 h ARG 1137Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ib2 h ARG 1137Cb 1.17 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1ib2 h ARG 1137CO 0.07 0.26 -0.43 -0.22 -1.51 0.00 0.00 179.97 178.14 1ib2 h LYS 1138N 0.41 -0.73 -0.65 0.20 3.64 -1.55 -2.45 116.57 115.44 1ib2 h LYS 1138Ca 0.26 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.81 1ib2 h LYS 1138Cb 0.27 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.13 1ib2 h LYS 1138CO -0.24 -0.48 -0.29 0.82 -2.27 0.00 0.00 179.45 176.98 1ib2 h ILE 1139N -0.75 0.19 -0.04 2.00 2.04 -1.53 0.74 117.51 120.17 1ib2 h ILE 1139Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ib2 h ILE 1139Cb 0.69 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1ib2 h ILE 1139CO -0.13 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.44 1ib2 h VAL 1140N -0.10 0.00 -0.25 1.67 2.07 -0.79 -0.85 116.25 117.99 1ib2 h VAL 1140Ca 0.27 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 1ib2 h VAL 1140Cb 0.55 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ib2 h VAL 1140CO -0.72 0.00 0.26 0.24 0.02 0.00 0.00 177.57 177.37 1ib2 h MET 1141N -0.17 0.00 -0.92 1.57 2.86 -1.00 -0.31 114.93 116.96 1ib2 h MET 1141Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ib2 h MET 1141Cb 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1ib2 h MET 1141CO -0.13 0.00 0.59 1.25 1.06 0.00 0.00 176.91 179.69 1ib2 h HIS 1142N 0.00 1.17 -0.01 -0.22 6.17 0.59 0.38 115.15 123.24 1ib2 h HIS 1142Ca 0.12 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1ib2 h HIS 1142Cb 0.63 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.17 1ib2 h HIS 1142CO 0.00 0.75 -0.05 1.17 0.71 0.00 0.00 177.93 180.51 1ib2 n LYS 1143N -4.42 1.04 0.01 5.26 0.00 -0.17 -3.03 118.16 116.86 1ib2 n LYS 1143Ca 0.10 -0.37 0.11 0.00 0.00 0.00 0.00 58.31 58.15 1ib2 n LYS 1143Cb 0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.48 1ib2 n LYS 1143CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ib2 n ILE 1144N -0.65 0.12 -0.07 3.15 2.08 0.97 -4.53 119.36 120.43 1ib2 n ILE 1144Ca 0.18 -0.33 -0.09 0.00 0.56 0.00 0.00 62.75 63.06 1ib2 n ILE 1144Cb 0.25 0.21 -0.07 0.00 -0.75 0.00 0.00 39.64 39.29 1ib2 n ILE 1144CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1ib2 h ARG 1145N 0.00 -0.29 -5.08 0.38 2.43 -0.45 -3.33 114.38 108.04 1ib2 h ARG 1145Ca 0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1ib2 h ARG 1145Cb 0.82 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 1ib2 h ARG 1145CO 0.00 -0.19 0.96 -2.30 -1.51 0.00 0.00 179.97 176.93 1ib2 n PRO 1146N -4.47 0.13 -2.78 0.20 -0.02 -1.26 -4.75 135.00 122.03 1ib2 n PRO 1146Ca -0.03 -0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 60.54 1ib2 n PRO 1146Cb 0.23 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ib2 n PRO 1146CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1ib2 n HIS 1147N 10.47 3.59 0.30 6.00 -0.00 -1.25 -4.67 115.22 129.66 1ib2 n HIS 1147Ca 0.39 -3.03 0.12 0.00 0.46 0.00 0.00 57.72 55.65 1ib2 n HIS 1147Cb 0.37 -1.80 0.08 0.00 -0.12 0.00 0.00 29.99 28.52 1ib2 n HIS 1147CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 1ib2 h ILE 1148N 3.86 0.00 -0.02 3.57 2.10 -1.92 -3.56 117.51 121.54 1ib2 h ILE 1148Ca 0.30 -0.79 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1ib2 h ILE 1148Cb 0.72 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1ib2 h ILE 1148CO 1.38 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.45