#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs9 n GLY 706 N 0.00 -0.78 3.72 -0.02 0.00 -1.17 -4.69 105.19 102.24 3hs9 n GLY 706 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3hs9 n GLY 706 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hs9 s TYR 707 N -1.38 3.64 -0.21 1.61 5.04 -1.26 -5.01 117.35 119.79 3hs9 s TYR 707 Ca 0.16 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.43 3hs9 s TYR 707 Cb -0.01 -3.19 0.04 0.00 0.35 0.00 0.00 41.96 39.15 3hs9 s TYR 707 CO 0.11 -0.33 -0.13 0.08 -1.34 0.00 0.00 175.55 173.94 3hs9 s VAL 708 N 0.52 1.91 0.32 3.14 1.01 -1.26 -4.98 120.40 121.07 3hs9 s VAL 708 Ca 0.52 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 3hs9 s VAL 708 Cb -0.25 -1.91 -0.12 0.00 0.00 0.00 0.00 36.38 34.10 3hs9 s VAL 708 CO 0.30 0.23 1.43 0.00 0.00 0.00 0.00 175.10 177.06 3hs9 n ALA 709 N 4.60 1.85 -1.60 5.51 0.00 -1.26 -4.96 120.51 124.64 3hs9 n ALA 709 Ca -0.16 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 3hs9 n ALA 709 Cb 0.46 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.63 3hs9 n ALA 709 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hs9 n PRO 710 N 1.13 0.89 -0.83 0.00 -0.04 -1.26 -4.79 135.00 130.10 3hs9 n PRO 710 Ca 0.06 0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 63.57 3hs9 n PRO 710 Cb 0.36 -2.37 0.17 0.00 -0.04 0.00 0.00 33.50 31.63 3hs9 n PRO 710 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hs9 s LYS 711 N -3.22 0.77 -0.10 0.54 1.02 -1.26 -4.84 119.74 112.65 3hs9 s LYS 711 Ca 0.79 1.21 -0.06 0.00 0.02 0.00 0.00 55.97 57.93 3hs9 s LYS 711 Cb -0.38 -1.72 0.04 0.00 -0.52 0.00 0.00 37.83 35.25 3hs9 s LYS 711 CO 0.44 -2.69 0.24 0.00 -0.92 0.00 0.00 175.35 172.42 3hs9 s ALA 712 N -2.69 -0.55 -0.11 5.17 0.00 -0.85 -4.84 121.76 117.90 3hs9 s ALA 712 Ca 0.66 0.88 -0.40 0.00 0.00 0.00 0.00 51.96 53.10 3hs9 s ALA 712 Cb -0.22 -0.55 -0.18 0.00 0.00 0.00 0.00 23.12 22.17 3hs9 s ALA 712 CO 0.59 -0.17 1.39 0.28 0.00 0.00 0.00 175.76 177.85 3hs9 n VAL 713 N 3.85 0.06 -0.08 0.00 0.31 -1.26 -2.50 118.33 118.70 3hs9 n VAL 713 Ca -0.22 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 3hs9 n VAL 713 Cb 0.55 -0.62 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 3hs9 n VAL 713 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3hs9 n TRP 714 N 3.06 0.00 -3.71 3.52 8.01 0.40 -4.88 117.44 123.83 3hs9 n TRP 714 Ca 0.23 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 56.12 3hs9 n TRP 714 Cb 0.11 -0.67 -0.15 0.00 -2.01 0.00 0.00 31.31 28.59 3hs9 n TRP 714 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 3hs9 s LEU 715 N -5.77 2.15 0.81 -0.99 2.96 0.04 -4.65 118.68 113.23 3hs9 s LEU 715 Ca -0.19 -1.79 -0.13 0.00 -0.22 0.00 0.00 54.13 51.80 3hs9 s LEU 715 Cb 0.06 -0.84 0.08 0.00 0.50 0.00 0.00 46.19 45.99 3hs9 s LEU 715 CO 0.44 -0.39 1.18 -2.84 -1.32 0.00 0.00 176.35 173.42 3hs9 s PRO 716 N 1.44 1.68 0.17 0.98 0.02 -1.26 -1.44 135.00 136.59 3hs9 s PRO 716 Ca 0.11 1.65 -0.09 0.00 0.02 0.00 0.00 61.00 62.69 3hs9 s PRO 716 Cb -0.18 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.59 3hs9 s PRO 716 CO -0.21 -2.16 1.56 0.00 -0.33 0.00 0.00 177.00 175.87 3hs9 h ALA 717 N -1.00 0.73 0.00 -1.55 0.00 -1.86 -2.68 119.26 112.91 3hs9 h ALA 717 Ca -0.46 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3hs9 h ALA 717 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hs9 h ALA 717 CO 0.46 0.67 0.00 1.33 0.00 0.00 0.00 179.25 181.71 3hs9 n VAL 718 N -4.11 0.88 1.03 0.00 0.24 -1.26 0.24 118.33 115.36 3hs9 n VAL 718 Ca -0.00 0.26 0.11 0.00 -2.04 0.00 0.00 64.34 62.67 3hs9 n VAL 718 Cb 0.46 -1.17 0.06 0.00 -1.47 0.00 0.00 33.84 31.73 3hs9 n VAL 718 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3hs9 n LYS 719 N -2.10 0.33 -2.76 7.34 4.76 -1.01 -4.45 118.16 120.27 3hs9 n LYS 719 Ca 0.02 -0.25 -0.04 0.00 -2.87 0.00 0.00 58.31 55.17 3hs9 n LYS 719 Cb 0.21 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.94 3hs9 n LYS 719 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hs9 n ALA 720 N -1.12 2.93 -3.35 7.82 0.00 -1.02 -5.00 120.51 120.78 3hs9 n ALA 720 Ca 0.06 -2.87 -0.21 0.00 0.00 0.00 0.00 53.44 50.42 3hs9 n ALA 720 Cb 0.36 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3hs9 n ALA 720 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hs9 n LYS 721 N -0.38 -2.51 0.00 0.00 5.02 -1.13 -1.04 118.16 118.12 3hs9 n LYS 721 Ca 0.07 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3hs9 n LYS 721 Cb 0.81 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 3hs9 n LYS 721 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hs9 n GLY 722 N -0.92 1.95 3.63 0.72 0.00 0.14 -4.69 105.19 106.02 3hs9 n GLY 722 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3hs9 n GLY 722 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hs9 s LEU 723 N 0.00 3.90 -0.14 0.99 2.96 -0.21 -1.12 118.68 125.06 3hs9 s LEU 723 Ca 0.00 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3hs9 s LEU 723 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3hs9 s LEU 723 CO 0.00 -1.00 -0.10 -0.70 -1.32 0.00 0.00 176.35 173.23 3hs9 s GLU 724 N 3.96 3.45 -0.03 1.98 2.12 -0.60 -3.86 118.70 125.70 3hs9 s GLU 724 Ca 0.52 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 55.27 3hs9 s GLU 724 Cb -0.15 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 3hs9 s GLU 724 CO 0.20 0.18 -0.22 0.42 -0.54 0.00 0.00 175.26 175.30 3hs9 s ILE 725 N 0.46 1.79 0.05 -3.70 1.01 -0.52 -1.04 121.20 119.24 3hs9 s ILE 725 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3hs9 s ILE 725 Cb -0.15 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3hs9 s ILE 725 CO 0.04 0.50 -0.10 -0.55 0.00 0.00 0.00 174.94 174.84 3hs9 s SER 726 N -0.31 1.08 0.36 3.58 0.15 -0.63 -0.45 113.70 117.47 3hs9 s SER 726 Ca 0.03 -0.57 -0.16 0.00 0.70 0.00 0.00 55.95 55.95 3hs9 s SER 726 Cb -0.11 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.26 3hs9 s SER 726 CO 0.01 -0.17 0.75 -0.83 1.20 0.00 0.00 173.24 174.20 3hs9 s GLY 727 N -1.63 0.34 0.05 9.45 0.00 -1.04 -0.84 107.32 113.65 3hs9 s GLY 727 Ca -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 3hs9 s GLY 727 CO 0.01 -0.31 0.07 -0.37 0.00 0.00 0.00 173.10 172.50 3hs9 n THR 728 N -0.52 0.00 -3.99 0.90 5.66 -0.37 -2.00 114.28 113.96 3hs9 n THR 728 Ca -0.07 -0.22 -0.11 0.00 -3.05 0.00 0.00 64.05 60.60 3hs9 n THR 728 Cb 0.60 0.14 -0.12 0.00 -1.55 0.00 0.00 70.33 69.41 3hs9 n THR 728 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3hs9 s PHE 729 N -5.33 0.31 0.11 1.09 0.08 -1.26 -1.48 117.98 111.50 3hs9 s PHE 729 Ca 0.04 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 3hs9 s PHE 729 Cb -0.00 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 3hs9 s PHE 729 CO 0.03 -0.13 0.01 0.95 -0.10 0.00 0.00 175.22 175.98 3hs9 s THR 730 N -1.14 0.30 -0.28 0.64 -4.23 0.16 -4.68 115.64 106.42 3hs9 s THR 730 Ca -0.11 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3hs9 s THR 730 Cb -0.08 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 71.98 3hs9 s THR 730 CO -0.01 -0.66 0.12 -2.28 -0.54 0.00 0.00 174.62 171.26 3hs9 s HIS 731 N -3.90 0.40 -0.06 3.99 2.46 -1.26 -1.54 115.29 115.38 3hs9 s HIS 731 Ca 0.18 -0.86 0.02 0.00 0.47 0.00 0.00 55.06 54.86 3hs9 s HIS 731 Cb 0.07 -0.93 0.02 0.00 -0.13 0.00 0.00 32.58 31.61 3hs9 s HIS 731 CO -0.02 -0.79 -0.08 -0.98 -2.47 0.00 0.00 174.74 170.40 3hs9 s ARG 732 N 2.07 1.25 -1.59 2.88 1.70 -0.72 -4.60 118.95 119.94 3hs9 s ARG 732 Ca 0.08 -0.25 -0.09 0.00 -0.47 0.00 0.00 55.73 55.00 3hs9 s ARG 732 Cb -0.16 -1.13 0.08 0.00 -0.57 0.00 0.00 34.95 33.17 3hs9 s ARG 732 CO -0.32 -0.04 0.48 1.04 -1.08 0.00 0.00 175.30 175.37 3hs9 n GLN 733 N 3.99 -2.48 -3.44 3.89 3.00 -1.26 -2.56 117.38 118.52 3hs9 n GLN 733 Ca -0.23 0.30 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 3hs9 n GLN 733 Cb 0.51 -4.55 0.08 0.00 0.00 0.00 0.00 30.24 26.28 3hs9 n GLN 733 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hs9 n GLY 734 N -1.81 -0.39 2.99 1.08 0.00 -1.26 -5.03 105.19 100.77 3hs9 n GLY 734 Ca -0.14 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hs9 n GLY 734 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hs9 s HIS 735 N -3.32 -0.10 -0.13 1.61 3.76 -1.06 -5.09 115.29 110.96 3hs9 s HIS 735 Ca 0.31 0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 55.33 3hs9 s HIS 735 Cb -0.14 0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 3hs9 s HIS 735 CO 0.68 -0.07 0.31 0.42 -0.85 0.00 0.00 174.74 175.23 3hs9 s ILE 736 N -0.05 5.28 -0.02 0.60 1.01 -1.26 -1.76 121.20 125.01 3hs9 s ILE 736 Ca -0.01 0.59 0.05 0.00 0.00 0.00 0.00 60.65 61.27 3hs9 s ILE 736 Cb -0.01 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3hs9 s ILE 736 CO 0.00 0.43 -0.15 -0.31 0.00 0.00 0.00 174.94 174.90 3hs9 s TYR 737 N 0.17 1.41 -0.39 3.97 2.02 -0.59 0.04 117.35 123.98 3hs9 s TYR 737 Ca 0.18 -0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 56.33 3hs9 s TYR 737 Cb -0.13 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3hs9 s TYR 737 CO 0.05 -0.05 0.90 1.41 -1.57 0.00 0.00 175.55 176.29 3hs9 s MET 738 N -0.26 3.75 -0.47 -0.62 -2.45 -0.52 -0.67 119.30 118.07 3hs9 s MET 738 Ca 0.04 0.42 -0.18 0.00 -1.25 0.00 0.00 55.69 54.73 3hs9 s MET 738 Cb -0.07 -3.83 0.05 0.00 1.25 0.00 0.00 34.83 32.23 3hs9 s MET 738 CO -0.00 -1.00 0.51 -1.21 1.05 0.00 0.00 175.02 174.37 3hs9 s GLU 739 N 3.47 3.08 0.32 4.11 0.41 -0.55 -1.70 118.70 127.84 3hs9 s GLU 739 Ca 0.37 -0.98 0.08 0.00 -0.41 0.00 0.00 54.97 54.02 3hs9 s GLU 739 Cb -0.12 -4.07 -0.04 0.00 -1.78 0.00 0.00 34.13 28.12 3hs9 s GLU 739 CO 0.20 -1.07 0.19 -1.64 -0.49 0.00 0.00 175.26 172.45 3hs9 s MET 740 N 2.23 2.55 -0.05 1.61 -1.94 0.32 -1.24 119.30 122.79 3hs9 s MET 740 Ca 0.11 -1.40 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 3hs9 s MET 740 Cb -0.20 -2.32 0.02 0.00 2.01 0.00 0.00 34.83 34.34 3hs9 s MET 740 CO 0.11 0.15 -0.02 1.21 -0.01 0.00 0.00 175.02 176.46 3hs9 s ASN 741 N -3.89 0.94 -0.16 3.03 3.84 -0.02 -1.13 114.94 117.55 3hs9 s ASN 741 Ca 0.38 -0.09 -0.05 0.00 0.21 0.00 0.00 52.86 53.30 3hs9 s ASN 741 Cb -0.05 -0.39 -0.03 0.00 -0.55 0.00 0.00 41.25 40.23 3hs9 s ASN 741 CO 0.24 -0.09 0.02 -0.36 -2.79 0.00 0.00 177.10 174.12 3hs9 s PHE 742 N 1.16 3.16 -0.04 0.43 2.99 0.68 -1.60 117.98 124.76 3hs9 s PHE 742 Ca -0.08 -0.04 0.05 0.00 0.00 0.00 0.00 56.93 56.87 3hs9 s PHE 742 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 43.02 40.88 3hs9 s PHE 742 CO -0.01 0.14 -0.18 0.99 -0.00 0.00 0.00 175.22 176.15 3hs9 s THR 743 N 0.17 1.52 -0.53 0.64 2.01 -0.21 0.55 115.64 119.79 3hs9 s THR 743 Ca 0.02 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 3hs9 s THR 743 Cb -0.13 -1.29 0.13 0.00 0.01 0.00 0.00 72.50 71.22 3hs9 s THR 743 CO 0.01 0.43 0.44 0.21 -0.69 0.00 0.00 174.62 175.03 3hs9 s ASN 744 N -0.08 5.96 -0.21 3.53 3.84 -0.36 -1.56 114.94 126.06 3hs9 s ASN 744 Ca -0.02 -1.94 0.15 0.00 0.21 0.00 0.00 52.86 51.26 3hs9 s ASN 744 Cb -0.11 -2.10 0.71 0.00 -0.55 0.00 0.00 41.25 39.19 3hs9 s ASN 744 CO 0.02 -0.75 1.62 0.29 -2.79 0.00 0.00 177.10 175.49 3hs9 n LYS 745 N 4.95 4.11 -2.96 0.43 5.02 -0.28 0.18 118.16 129.60 3hs9 n LYS 745 Ca -0.09 -3.04 -0.19 0.00 -2.02 0.00 0.00 58.31 52.98 3hs9 n LYS 745 Cb 0.41 -2.10 0.03 0.00 -0.02 0.00 0.00 35.03 33.35 3hs9 n LYS 745 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hs9 s ALA 746 N -2.80 4.49 0.21 7.82 0.00 -1.24 -4.85 121.76 125.39 3hs9 s ALA 746 Ca 0.50 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.69 3hs9 s ALA 746 Cb 0.39 -1.64 0.15 0.00 0.00 0.00 0.00 23.12 22.02 3hs9 s ALA 746 CO 0.13 -0.57 1.49 1.25 0.00 0.00 0.00 175.76 178.06 3hs9 h LEU 747 N 0.38 0.29 -9.24 0.00 5.85 -1.92 -3.42 115.31 107.25 3hs9 h LEU 747 Ca -0.37 -0.19 -0.55 0.00 0.84 0.00 0.00 57.88 57.61 3hs9 h LEU 747 Cb 1.28 -0.09 -0.14 0.00 0.37 0.00 0.00 40.66 42.09 3hs9 h LEU 747 CO 0.44 0.90 -0.69 -1.10 -0.34 0.00 0.00 178.44 177.64 3hs9 s GLN 748 N -3.58 1.65 0.75 1.25 -0.21 -1.26 -4.79 119.66 113.47 3hs9 s GLN 748 Ca -0.04 -1.82 -0.15 0.00 0.02 0.00 0.00 55.36 53.37 3hs9 s GLN 748 Cb 0.11 -1.45 0.05 0.00 1.00 0.00 0.00 33.01 32.72 3hs9 s GLN 748 CO 0.81 0.13 1.20 -2.39 -2.12 0.00 0.00 175.29 172.93 3hs9 n HIS 749 N -0.65 1.40 -4.98 0.91 1.44 -1.26 -4.55 115.22 107.52 3hs9 n HIS 749 Ca -0.05 0.41 -0.28 0.00 -2.01 0.00 0.00 57.72 55.79 3hs9 n HIS 749 Cb 0.63 -2.15 -0.16 0.00 0.12 0.00 0.00 29.99 28.43 3hs9 n HIS 749 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3hs9 s MET 750 N -3.81 1.91 0.35 -1.40 -1.94 0.47 -4.95 119.30 109.91 3hs9 s MET 750 Ca 0.76 -0.71 0.07 0.00 -1.71 0.00 0.00 55.69 54.10 3hs9 s MET 750 Cb -0.32 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 3hs9 s MET 750 CO 0.48 0.34 0.27 0.95 -0.01 0.00 0.00 175.02 177.05 3hs9 s THR 751 N -0.18 0.06 -1.18 2.05 -4.23 -1.26 -0.28 115.64 110.61 3hs9 s THR 751 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3hs9 s THR 751 Cb -0.11 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 3hs9 s THR 751 CO 0.01 0.00 0.80 0.47 -0.54 0.00 0.00 174.62 175.37 3hs9 n ASP 752 N -1.61 -3.81 -4.75 3.99 8.00 -1.26 0.92 116.55 118.03 3hs9 n ASP 752 Ca 0.06 -0.83 -0.40 0.00 0.71 0.00 0.00 54.79 54.33 3hs9 n ASP 752 Cb 0.62 -4.25 -0.05 0.00 -0.02 0.00 0.00 41.12 37.42 3hs9 n ASP 752 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hs9 s PHE 753 N -3.52 3.85 -0.07 1.24 0.08 -1.26 -3.80 117.98 114.51 3hs9 s PHE 753 Ca 0.25 1.67 -0.26 0.00 0.12 0.00 0.00 56.93 58.72 3hs9 s PHE 753 Cb -0.06 -2.89 0.06 0.00 -0.57 0.00 0.00 43.02 39.56 3hs9 s PHE 753 CO 0.80 0.36 0.58 0.00 -0.10 0.00 0.00 175.22 176.86 3hs9 s ALA 754 N -0.54 -1.50 -0.01 5.36 0.00 -0.82 -4.78 121.76 119.47 3hs9 s ALA 754 Ca 0.40 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.53 3hs9 s ALA 754 Cb -0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 3hs9 s ALA 754 CO 0.27 -0.33 -0.10 -1.50 0.00 0.00 0.00 175.76 174.10 3hs9 s ILE 755 N -1.00 0.81 -0.03 0.00 2.07 -1.26 -0.91 121.20 120.88 3hs9 s ILE 755 Ca -0.10 -0.42 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 3hs9 s ILE 755 Cb -0.02 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.89 3hs9 s ILE 755 CO 0.07 0.24 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.18 3hs9 s GLN 756 N -0.12 0.78 -0.07 3.50 -0.21 -0.69 -4.90 119.66 117.95 3hs9 s GLN 756 Ca 0.02 -0.18 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 3hs9 s GLN 756 Cb -0.05 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 33.14 3hs9 s GLN 756 CO -0.00 0.01 0.34 -0.06 -2.12 0.00 0.00 175.29 173.46 3hs9 s PHE 757 N 0.50 3.62 0.82 0.91 0.40 -1.26 -1.19 117.98 121.78 3hs9 s PHE 757 Ca -0.07 0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 3hs9 s PHE 757 Cb -0.10 -2.26 0.12 0.00 0.51 0.00 0.00 43.02 41.28 3hs9 s PHE 757 CO 0.00 0.52 1.17 1.21 0.70 0.00 0.00 175.22 178.82 3hs9 s ASN 758 N -0.55 4.15 0.26 1.36 2.47 0.31 -4.99 114.94 117.96 3hs9 s ASN 758 Ca 0.21 0.46 -0.31 0.00 0.42 0.00 0.00 52.86 53.64 3hs9 s ASN 758 Cb -0.15 -0.85 -0.12 0.00 -1.45 0.00 0.00 41.25 38.68 3hs9 s ASN 758 CO 0.09 -2.08 1.53 0.29 -3.72 0.00 0.00 177.10 173.21 3hs9 n LYS 759 N -3.32 2.44 -3.69 0.43 5.02 -1.26 -4.73 118.16 113.04 3hs9 n LYS 759 Ca 0.11 0.87 -0.13 0.00 -2.02 0.00 0.00 58.31 57.13 3hs9 n LYS 759 Cb 0.60 -2.61 -0.07 0.00 -0.02 0.00 0.00 35.03 32.94 3hs9 n LYS 759 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hs9 s ASN 760 N 0.47 -0.27 0.34 4.39 2.20 -1.20 -4.70 114.94 116.17 3hs9 s ASN 760 Ca 0.67 0.04 0.12 0.00 -0.94 0.00 0.00 52.86 52.75 3hs9 s ASN 760 Cb -0.56 0.40 1.05 0.00 -2.00 0.00 0.00 41.25 40.14 3hs9 s ASN 760 CO 0.48 -0.61 1.61 0.28 -2.94 0.00 0.00 177.10 175.92 3hs9 h SER 761 N 3.23 0.16 -0.03 3.54 0.02 -0.59 0.23 113.55 120.10 3hs9 h SER 761 Ca -0.31 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3hs9 h SER 761 Cb 1.19 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3hs9 h SER 761 CO 0.43 -0.30 0.00 0.49 -1.14 0.00 0.00 176.83 176.31 3hs9 n PHE 762 N -5.25 0.00 -2.97 3.45 3.72 -1.26 -4.46 117.46 110.70 3hs9 n PHE 762 Ca 0.31 -0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.60 3hs9 n PHE 762 Cb 1.00 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.58 3hs9 n PHE 762 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hs9 n GLY 763 N 1.06 0.25 3.75 1.37 0.00 0.77 -4.75 105.19 107.63 3hs9 n GLY 763 Ca 0.11 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3hs9 n GLY 763 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hs9 s VAL 764 N -3.15 4.44 -0.19 1.61 1.01 -1.26 -1.57 120.40 121.29 3hs9 s VAL 764 Ca 0.24 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.94 3hs9 s VAL 764 Cb -0.11 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.09 3hs9 s VAL 764 CO 0.33 0.41 0.50 -0.51 0.00 0.00 0.00 175.10 175.83 3hs9 s ILE 765 N -0.51 -0.00 0.61 2.22 2.07 0.24 -4.84 121.20 121.00 3hs9 s ILE 765 Ca 0.41 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.49 3hs9 s ILE 765 Cb -0.23 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 3hs9 s ILE 765 CO 0.28 0.00 1.10 -2.16 -1.91 0.00 0.00 174.94 172.25 3hs9 s PRO 766 N 0.31 3.10 0.01 3.50 0.04 -1.26 0.11 135.00 140.81 3hs9 s PRO 766 Ca -0.00 1.40 0.26 0.00 0.04 0.00 0.00 61.00 62.69 3hs9 s PRO 766 Cb -0.04 -1.99 0.63 0.00 0.04 0.00 0.00 34.50 33.15 3hs9 s PRO 766 CO 0.00 -1.01 1.51 0.43 0.04 0.00 0.00 177.00 177.97 3hs9 n SER 767 N -1.99 0.42 -3.94 6.66 7.64 -0.05 -4.71 113.62 117.65 3hs9 n SER 767 Ca 0.10 -0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 3hs9 n SER 767 Cb 0.52 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 3hs9 n SER 767 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hs9 s THR 768 N -3.02 0.03 1.00 0.44 -4.23 -1.26 -5.05 115.64 103.55 3hs9 s THR 768 Ca 0.11 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 3hs9 s THR 768 Cb 0.17 -1.97 0.19 0.00 1.34 0.00 0.00 72.50 72.23 3hs9 s THR 768 CO 0.67 -0.12 1.09 -2.84 -0.54 0.00 0.00 174.62 172.88 3hs9 s PRO 769 N -3.98 0.45 0.10 3.99 0.02 -1.26 -4.94 135.00 129.37 3hs9 s PRO 769 Ca 0.19 0.55 -0.31 0.00 0.02 0.00 0.00 61.00 61.45 3hs9 s PRO 769 Cb 0.01 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.70 3hs9 s PRO 769 CO 0.04 -2.73 1.78 -1.17 -0.33 0.00 0.00 177.00 174.59 3hs9 s LEU 770 N -6.46 4.39 -1.05 -5.54 2.96 -1.26 -4.92 118.68 106.79 3hs9 s LEU 770 Ca 0.65 2.66 -0.09 0.00 -0.22 0.00 0.00 54.13 57.13 3hs9 s LEU 770 Cb -0.19 -3.56 0.27 0.00 0.50 0.00 0.00 46.19 43.21 3hs9 s LEU 770 CO 0.58 -0.97 1.04 0.00 -1.32 0.00 0.00 176.35 175.67 3hs9 s ALA 771 N 2.85 4.61 -0.41 5.97 0.00 -1.26 -4.82 121.76 128.70 3hs9 s ALA 771 Ca 0.79 -3.76 0.03 0.00 0.00 0.00 0.00 51.96 49.01 3hs9 s ALA 771 Cb -0.44 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.33 3hs9 s ALA 771 CO 0.35 -2.21 0.30 -1.50 0.00 0.00 0.00 175.76 172.70 3hs9 s ILE 772 N -1.04 0.48 -0.96 0.00 -1.16 -1.26 -4.96 121.20 112.30 3hs9 s ILE 772 Ca 0.28 -2.42 -0.01 0.00 -0.51 0.00 0.00 60.65 58.00 3hs9 s ILE 772 Cb -0.10 -1.35 0.33 0.00 0.61 0.00 0.00 42.46 41.95 3hs9 s ILE 772 CO -0.08 -1.12 1.87 0.00 -2.81 0.00 0.00 174.94 172.79 3hs9 n HIS 773 N 3.24 2.86 -3.66 3.50 1.44 -1.26 -4.68 115.22 116.66 3hs9 n HIS 773 Ca 0.22 -2.52 -0.15 0.00 -2.01 0.00 0.00 57.72 53.26 3hs9 n HIS 773 Cb 0.43 -1.17 -0.08 0.00 0.12 0.00 0.00 29.99 29.28 3hs9 n HIS 773 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3hs9 s THR 774 N -4.57 0.02 -0.03 0.61 2.01 -1.26 -5.13 115.64 107.28 3hs9 s THR 774 Ca 0.43 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 3hs9 s THR 774 Cb 0.27 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3hs9 s THR 774 CO -0.22 -0.07 0.89 -2.16 -0.69 0.00 0.00 174.62 172.37 3hs9 s PRO 775 N -0.57 4.51 -0.40 4.92 0.05 -1.26 -4.73 135.00 137.52 3hs9 s PRO 775 Ca -0.07 1.24 -0.24 0.00 0.05 0.00 0.00 61.00 61.98 3hs9 s PRO 775 Cb -0.03 -3.46 0.02 0.00 0.05 0.00 0.00 34.50 31.07 3hs9 s PRO 775 CO 0.04 -0.04 0.83 -1.17 0.05 0.00 0.00 177.00 176.71 3hs9 s LEU 776 N 1.04 4.11 0.29 -3.56 2.96 0.61 -4.89 118.68 119.24 3hs9 s LEU 776 Ca 0.47 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 54.56 3hs9 s LEU 776 Cb -0.20 -3.08 -0.07 0.00 0.50 0.00 0.00 46.19 43.35 3hs9 s LEU 776 CO 0.24 -0.84 0.61 -0.04 -1.32 0.00 0.00 176.35 175.00 3hs9 s MET 777 N 3.30 3.76 0.10 1.98 -1.94 -1.26 -0.40 119.30 124.84 3hs9 s MET 777 Ca 0.33 0.26 -0.35 0.00 -1.71 0.00 0.00 55.69 54.22 3hs9 s MET 777 Cb -0.12 -2.58 -0.17 0.00 2.01 0.00 0.00 34.83 33.97 3hs9 s MET 777 CO 0.20 0.20 1.10 -2.30 -0.01 0.00 0.00 175.02 174.20 3hs9 n PRO 778 N -0.65 0.66 -0.88 2.03 -0.02 -1.26 -0.77 135.00 134.10 3hs9 n PRO 778 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3hs9 n PRO 778 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3hs9 n PRO 778 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hs9 n ASN 779 N 1.97 -3.77 -4.78 2.55 3.02 0.48 -4.97 115.26 109.75 3hs9 n ASN 779 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 3hs9 n ASN 779 Cb 0.18 -2.63 -0.06 0.00 -0.61 0.00 0.00 39.78 36.66 3hs9 n ASN 779 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hs9 s GLN 780 N -1.36 4.43 -0.06 3.52 0.74 0.05 -4.82 119.66 122.15 3hs9 s GLN 780 Ca 0.00 1.41 -0.01 0.00 0.05 0.00 0.00 55.36 56.81 3hs9 s GLN 780 Cb 0.00 -2.70 0.03 0.00 1.10 0.00 0.00 33.01 31.43 3hs9 s GLN 780 CO 0.00 0.12 -0.01 0.45 -0.55 0.00 0.00 175.29 175.30 3hs9 s SER 781 N -1.58 1.38 0.00 6.67 0.15 -1.26 -1.22 113.70 117.84 3hs9 s SER 781 Ca 0.53 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 57.11 3hs9 s SER 781 Cb -0.20 -0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 3hs9 s SER 781 CO 0.25 -0.15 -0.09 0.27 1.20 0.00 0.00 173.24 174.72 3hs9 s ILE 782 N 1.66 0.68 -0.29 6.45 -4.36 0.19 -4.98 121.20 120.55 3hs9 s ILE 782 Ca 0.00 -0.48 -0.22 0.00 -0.26 0.00 0.00 60.65 59.69 3hs9 s ILE 782 Cb -0.13 -0.59 -0.01 0.00 1.25 0.00 0.00 42.46 42.98 3hs9 s ILE 782 CO -0.04 0.11 0.70 -1.81 0.24 0.00 0.00 174.94 174.13 3hs9 s ASP 783 N -0.43 6.60 -0.11 4.36 1.11 -1.26 -0.23 116.67 126.72 3hs9 s ASP 783 Ca 0.02 0.62 -0.01 0.00 0.18 0.00 0.00 52.55 53.36 3hs9 s ASP 783 Cb -0.04 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 3hs9 s ASP 783 CO -0.00 -0.50 -0.05 -0.69 1.18 0.00 0.00 175.17 175.11 3hs9 s VAL 784 N 2.71 3.86 -0.40 -1.27 1.01 -0.29 -4.98 120.40 121.04 3hs9 s VAL 784 Ca 0.29 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3hs9 s VAL 784 Cb -0.15 -2.63 0.11 0.00 0.00 0.00 0.00 36.38 33.71 3hs9 s VAL 784 CO 0.11 0.56 0.13 -0.55 0.00 0.00 0.00 175.10 175.35 3hs9 s SER 785 N -0.35 4.73 -0.35 3.32 0.15 -1.26 -0.52 113.70 119.43 3hs9 s SER 785 Ca 0.06 -2.38 -0.18 0.00 0.70 0.00 0.00 55.95 54.14 3hs9 s SER 785 Cb -0.12 -1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 62.52 3hs9 s SER 785 CO 0.02 -0.36 0.51 -0.22 1.20 0.00 0.00 173.24 174.39 3hs9 s LEU 786 N 0.59 4.35 0.41 3.45 2.96 -0.69 -4.98 118.68 124.77 3hs9 s LEU 786 Ca 0.12 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.78 3hs9 s LEU 786 Cb -0.21 -2.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.80 3hs9 s LEU 786 CO -0.05 -0.47 0.99 -2.16 -1.32 0.00 0.00 176.35 173.33 3hs9 s PRO 787 N 2.38 4.19 0.18 0.98 0.04 -1.26 -1.43 135.00 140.08 3hs9 s PRO 787 Ca 0.19 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.61 3hs9 s PRO 787 Cb -0.15 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 3hs9 s PRO 787 CO 0.13 -0.08 -0.14 -0.51 0.04 0.00 0.00 177.00 176.44 3hs9 s LEU 788 N -2.88 2.52 0.19 -3.56 1.43 0.11 -0.87 118.68 115.62 3hs9 s LEU 788 Ca 0.60 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3hs9 s LEU 788 Cb -0.16 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 3hs9 s LEU 788 CO 0.20 -0.17 0.18 0.54 0.23 0.00 0.00 176.35 177.33 3hs9 s ASN 789 N -3.09 0.13 -0.38 2.29 2.20 0.12 -4.19 114.94 112.01 3hs9 s ASN 789 Ca 0.19 -1.26 0.05 0.00 -0.94 0.00 0.00 52.86 50.90 3hs9 s ASN 789 Cb -0.01 0.40 0.46 0.00 -2.00 0.00 0.00 41.25 40.09 3hs9 s ASN 789 CO 0.05 -0.87 1.38 0.35 -2.94 0.00 0.00 177.10 175.08 3hs9 n THR 790 N -0.26 2.78 0.64 0.54 -2.24 -1.26 -0.59 114.28 113.91 3hs9 n THR 790 Ca -0.00 -3.93 0.11 0.00 -2.27 0.00 0.00 64.05 57.95 3hs9 n THR 790 Cb 0.65 -1.15 0.14 0.00 -2.10 0.00 0.00 70.33 67.87 3hs9 n THR 790 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hs9 n LEU 791 N -0.75 3.08 -4.97 3.22 4.77 -1.09 -4.73 117.00 116.53 3hs9 n LEU 791 Ca 0.48 -1.22 -0.25 0.00 -0.03 0.00 0.00 56.01 54.99 3hs9 n LEU 791 Cb 0.89 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.99 3hs9 n LEU 791 CO 0.49 0.59 0.60 -0.83 -1.33 0.00 0.00 177.39 176.91 3hs9 s GLY 792 N -1.66 1.76 -0.06 -0.72 0.00 -0.61 -4.96 107.32 101.07 3hs9 s GLY 792 Ca 0.31 -1.46 -0.36 0.00 0.00 0.00 0.00 44.72 43.20 3hs9 s GLY 792 CO 0.29 -0.91 1.69 -1.55 0.00 0.00 0.00 173.10 172.62 3hs9 n PRO 793 N -2.98 1.73 -3.23 2.90 -0.04 -1.26 -4.58 135.00 127.54 3hs9 n PRO 793 Ca 0.13 0.63 -0.35 0.00 -0.04 0.00 0.00 63.50 63.87 3hs9 n PRO 793 Cb 0.60 -2.38 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 3hs9 n PRO 793 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hs9 s VAL 794 N 2.69 4.72 -0.30 0.52 1.01 -1.26 -3.24 120.40 124.53 3hs9 s VAL 794 Ca 0.90 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 3hs9 s VAL 794 Cb -0.83 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 31.92 3hs9 s VAL 794 CO 0.52 0.19 0.83 -0.32 0.00 0.00 0.00 175.10 176.32 3hs9 s MET 795 N -2.06 0.42 -0.01 2.72 0.00 -0.98 -4.69 119.30 114.70 3hs9 s MET 795 Ca 0.41 1.02 -0.32 0.00 0.00 0.00 0.00 55.69 56.80 3hs9 s MET 795 Cb -0.15 0.61 -0.10 0.00 0.00 0.00 0.00 34.83 35.18 3hs9 s MET 795 CO 0.20 -0.18 1.92 1.17 0.00 0.00 0.00 175.02 178.12 3hs9 n LYS 796 N 5.22 2.54 -3.40 4.11 4.81 -1.26 0.06 118.16 130.25 3hs9 n LYS 796 Ca -0.09 0.93 -0.19 0.00 -0.87 0.00 0.00 58.31 58.09 3hs9 n LYS 796 Cb 0.51 -2.83 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 3hs9 n LYS 796 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3hs9 s MET 797 N 4.11 2.93 -0.18 1.64 -1.94 -1.26 -4.86 119.30 119.74 3hs9 s MET 797 Ca 0.90 -1.16 -0.02 0.00 -1.71 0.00 0.00 55.69 53.70 3hs9 s MET 797 Cb -0.56 -2.72 0.06 0.00 2.01 0.00 0.00 34.83 33.62 3hs9 s MET 797 CO 0.46 -0.05 0.02 -2.00 -0.01 0.00 0.00 175.02 173.45 3hs9 s GLU 798 N -4.19 0.72 0.63 2.03 2.56 -1.26 -2.95 118.70 116.23 3hs9 s GLU 798 Ca 0.47 -0.38 -0.17 0.00 0.00 0.00 0.00 54.97 54.89 3hs9 s GLU 798 Cb -0.09 -1.99 -0.02 0.00 2.00 0.00 0.00 34.13 34.03 3hs9 s GLU 798 CO 0.31 -0.59 1.13 -2.14 -0.56 0.00 0.00 175.26 173.41 3hs9 s PRO 799 N 1.85 2.92 0.56 4.30 0.02 -1.26 -4.96 135.00 138.42 3hs9 s PRO 799 Ca -0.00 1.53 0.36 0.00 0.02 0.00 0.00 61.00 62.90 3hs9 s PRO 799 Cb -0.16 -1.95 1.47 0.00 0.02 0.00 0.00 34.50 33.87 3hs9 s PRO 799 CO -0.08 -1.18 1.72 1.25 -0.33 0.00 0.00 177.00 178.38 3hs9 h LEU 800 N 0.42 0.00 -2.77 -5.54 5.85 -1.93 -1.52 115.31 109.82 3hs9 h LEU 800 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hs9 h LEU 800 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hs9 h LEU 800 CO 0.55 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.19 3hs9 n ASN 801 N -3.92 2.64 -4.73 1.25 6.94 -1.26 -4.43 115.26 111.74 3hs9 n ASN 801 Ca 0.24 -1.94 -0.42 0.00 -0.02 0.00 0.00 54.58 52.44 3hs9 n ASN 801 Cb 1.27 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 38.50 3hs9 n ASN 801 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3hs9 s ASN 802 N -0.98 6.75 -0.13 0.53 2.47 -0.57 -1.12 114.94 121.89 3hs9 s ASN 802 Ca 0.17 2.52 0.02 0.00 0.42 0.00 0.00 52.86 55.99 3hs9 s ASN 802 Cb 0.09 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.30 3hs9 s ASN 802 CO 0.12 -0.65 -0.19 -0.22 -3.72 0.00 0.00 177.10 172.44 3hs9 s LEU 803 N 0.16 1.97 -0.17 3.21 2.96 -0.35 -4.73 118.68 121.73 3hs9 s LEU 803 Ca 0.61 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 3hs9 s LEU 803 Cb -0.39 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3hs9 s LEU 803 CO 0.38 0.05 0.38 -1.10 -1.32 0.00 0.00 176.35 174.73 3hs9 s GLN 804 N 0.94 4.23 0.13 1.98 -0.21 -1.26 -1.45 119.66 124.02 3hs9 s GLN 804 Ca -0.05 0.21 0.09 0.00 0.02 0.00 0.00 55.36 55.63 3hs9 s GLN 804 Cb -0.15 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.34 3hs9 s GLN 804 CO -0.03 0.09 -0.22 0.08 -2.12 0.00 0.00 175.29 173.09 3hs9 s VAL 805 N 0.91 1.88 -0.07 1.09 1.01 0.72 -0.53 120.40 125.41 3hs9 s VAL 805 Ca 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3hs9 s VAL 805 Cb -0.14 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3hs9 s VAL 805 CO 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.03 3hs9 s ALA 806 N -1.37 0.84 -0.07 5.51 0.00 -0.34 -0.91 121.76 125.43 3hs9 s ALA 806 Ca 0.11 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3hs9 s ALA 806 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3hs9 s ALA 806 CO 0.05 -0.21 -0.16 0.08 0.00 0.00 0.00 175.76 175.52 3hs9 s VAL 807 N 1.37 2.91 -0.00 0.00 1.01 0.11 -1.70 120.40 124.09 3hs9 s VAL 807 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3hs9 s VAL 807 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3hs9 s VAL 807 CO -0.03 0.57 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 3hs9 s LYS 808 N -0.41 2.36 0.00 2.72 2.20 -0.08 0.15 119.74 126.67 3hs9 s LYS 808 Ca 0.04 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 3hs9 s LYS 808 Cb -0.12 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3hs9 s LYS 808 CO 0.02 0.59 0.00 0.27 -0.36 0.00 0.00 175.35 175.87 3hs9 n ASN 809 N 1.86 0.71 0.07 1.43 6.94 -0.64 -1.94 115.26 123.68 3hs9 n ASN 809 Ca -0.16 -0.89 0.06 0.00 -0.02 0.00 0.00 54.58 53.57 3hs9 n ASN 809 Cb 0.52 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 38.24 3hs9 n ASN 809 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3hs9 n ASN 810 N -2.04 0.26 -0.11 0.53 0.23 0.26 -3.56 115.26 110.83 3hs9 n ASN 810 Ca 0.00 0.60 -0.20 0.00 -0.53 0.00 0.00 54.58 54.44 3hs9 n ASN 810 Cb 0.00 -0.64 -0.08 0.00 -2.08 0.00 0.00 39.78 36.98 3hs9 n ASN 810 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3hs9 n ILE 811 N -1.82 1.51 -3.77 1.53 2.08 -1.26 -5.05 119.36 112.58 3hs9 n ILE 811 Ca 0.01 -0.10 -0.06 0.00 0.56 0.00 0.00 62.75 63.15 3hs9 n ILE 811 Cb 0.08 -2.08 0.02 0.00 -0.75 0.00 0.00 39.64 36.91 3hs9 n ILE 811 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3hs9 n ASP 812 N -4.39 -1.93 -4.56 4.38 -0.08 -1.23 -5.13 116.55 103.60 3hs9 n ASP 812 Ca -0.34 -2.24 -0.35 0.00 -1.51 0.00 0.00 54.79 50.34 3hs9 n ASP 812 Cb 0.68 3.19 -0.11 0.00 2.34 0.00 0.00 41.12 47.22 3hs9 n ASP 812 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3hs9 s VAL 813 N -2.15 4.61 -0.08 5.18 1.01 -1.26 -1.62 120.40 126.08 3hs9 s VAL 813 Ca 0.17 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3hs9 s VAL 813 Cb -0.04 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3hs9 s VAL 813 CO 0.09 0.41 -0.23 -0.36 0.00 0.00 0.00 175.10 175.01 3hs9 s PHE 814 N 0.83 2.53 -0.15 5.22 0.08 0.12 -4.97 117.98 121.65 3hs9 s PHE 814 Ca 0.04 -0.81 -0.06 0.00 0.12 0.00 0.00 56.93 56.21 3hs9 s PHE 814 Cb -0.14 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3hs9 s PHE 814 CO 0.02 -0.27 0.07 0.71 -0.10 0.00 0.00 175.22 175.66 3hs9 s TYR 815 N 0.04 3.33 0.19 0.36 2.02 -1.26 0.06 117.35 122.09 3hs9 s TYR 815 Ca -0.09 0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.73 3hs9 s TYR 815 Cb -0.15 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3hs9 s TYR 815 CO 0.06 0.36 0.34 -0.59 -1.57 0.00 0.00 175.55 174.15 3hs9 s PHE 816 N -0.20 0.41 0.11 2.71 -0.71 -0.08 -4.99 117.98 115.23 3hs9 s PHE 816 Ca 0.08 -0.76 0.08 0.00 -1.04 0.00 0.00 56.93 55.29 3hs9 s PHE 816 Cb -0.12 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 3hs9 s PHE 816 CO 0.01 -0.80 -0.19 -1.12 -1.34 0.00 0.00 175.22 171.79 3hs9 s SER 817 N -2.99 2.37 0.06 1.98 0.01 -1.26 -0.20 113.70 113.66 3hs9 s SER 817 Ca 0.20 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 3hs9 s SER 817 Cb 0.02 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.16 3hs9 s SER 817 CO 0.03 -0.00 0.38 0.00 0.41 0.00 0.00 173.24 174.06 3hs9 s LEU 819 N -2.14 4.15 -0.07 0.00 1.43 -1.26 -1.21 118.68 119.57 3hs9 s LEU 819 Ca -0.04 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 3hs9 s LEU 819 Cb -0.00 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3hs9 s LEU 819 CO -0.04 -0.13 1.67 -0.63 0.23 0.00 0.00 176.35 177.46 3hs9 s ILE 820 N 1.72 3.56 0.02 -0.59 1.01 -0.27 -4.96 121.20 121.69 3hs9 s ILE 820 Ca 0.06 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 3hs9 s ILE 820 Cb -0.16 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3hs9 s ILE 820 CO 0.10 -0.09 1.85 -2.16 0.00 0.00 0.00 174.94 174.64 3hs9 s PRO 821 N 4.18 4.16 0.62 2.79 0.04 -1.26 -4.86 135.00 140.67 3hs9 s PRO 821 Ca 0.74 2.47 0.39 0.00 0.04 0.00 0.00 61.00 64.64 3hs9 s PRO 821 Cb -0.33 -4.03 2.04 0.00 0.04 0.00 0.00 34.50 32.22 3hs9 s PRO 821 CO 0.30 -0.90 2.25 -0.07 0.04 0.00 0.00 177.00 178.62 3hs9 h LEU 822 N 10.23 0.00 -2.24 -3.56 4.07 -1.93 -2.55 115.31 119.33 3hs9 h LEU 822 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3hs9 h LEU 822 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3hs9 h LEU 822 CO 0.94 0.02 0.00 -0.55 -1.08 0.00 0.00 178.44 177.77 3hs9 h ASN 823 N 0.00 0.00 1.64 -0.43 -1.07 -1.93 -1.30 115.58 112.49 3hs9 h ASN 823 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 3hs9 h ASN 823 Cb 0.14 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.39 3hs9 h ASN 823 CO 0.00 0.00 -0.08 -0.37 0.07 0.00 0.00 177.43 177.06 3hs9 h VAL 824 N 0.00 0.14 -0.09 6.14 -1.51 -1.82 -2.66 116.25 116.45 3hs9 h VAL 824 Ca 0.00 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3hs9 h VAL 824 Cb 0.18 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3hs9 h VAL 824 CO 0.00 0.07 0.00 0.18 -1.23 0.00 0.00 177.57 176.59 3hs9 n LEU 825 N -3.13 1.64 -4.71 4.19 4.77 -0.49 -4.80 117.00 114.47 3hs9 n LEU 825 Ca 0.03 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 3hs9 n LEU 825 Cb 0.49 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hs9 n LEU 825 CO 0.33 0.31 0.65 -0.36 -1.33 0.00 0.00 177.39 176.99 3hs9 s PHE 826 N -1.89 3.63 0.28 -1.77 0.08 -1.01 -1.59 117.98 115.71 3hs9 s PHE 826 Ca 0.35 1.62 -0.08 0.00 0.12 0.00 0.00 56.93 58.94 3hs9 s PHE 826 Cb 0.19 -3.08 -0.06 0.00 -0.57 0.00 0.00 43.02 39.50 3hs9 s PHE 826 CO 0.30 -0.03 0.58 0.14 -0.10 0.00 0.00 175.22 176.12 3hs9 s VAL 827 N 1.13 4.95 -1.23 -0.44 -7.23 -0.00 -4.93 120.40 112.64 3hs9 s VAL 827 Ca 0.49 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 3hs9 s VAL 827 Cb -0.20 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.06 3hs9 s VAL 827 CO 0.25 -0.24 0.73 -0.62 -0.31 0.00 0.00 175.10 174.91 3hs9 n GLU 828 N -0.64 0.00 -2.25 4.82 1.02 -1.26 -3.19 120.64 119.14 3hs9 n GLU 828 Ca -0.00 0.25 -0.24 0.00 -0.02 0.00 0.00 57.16 57.15 3hs9 n GLU 828 Cb 0.53 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3hs9 n GLU 828 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hs9 n ASP 829 N -1.23 4.66 -0.68 1.62 2.03 -1.26 -4.74 116.55 116.96 3hs9 n ASP 829 Ca 0.00 -3.66 0.10 0.00 0.52 0.00 0.00 54.79 51.75 3hs9 n ASP 829 Cb 0.04 -0.40 0.05 0.00 -0.72 0.00 0.00 41.12 40.09 3hs9 n ASP 829 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hs9 n GLY 830 N -0.60 0.41 3.56 0.27 0.00 -1.19 -4.84 105.19 102.80 3hs9 n GLY 830 Ca 0.40 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3hs9 n GLY 830 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hs9 s LYS 831 N -1.94 3.16 0.62 1.61 2.20 -1.26 -3.92 119.74 120.20 3hs9 s LYS 831 Ca 0.21 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.93 3hs9 s LYS 831 Cb 0.17 -5.14 -0.03 0.00 -1.51 0.00 0.00 37.83 31.31 3hs9 s LYS 831 CO 0.36 -2.64 1.12 -0.12 -0.36 0.00 0.00 175.35 173.71 3hs9 n MET 832 N 8.92 1.03 -2.51 4.03 0.00 -1.26 -5.01 117.12 122.32 3hs9 n MET 832 Ca 0.33 0.40 -0.36 0.00 -0.00 0.00 0.00 57.70 58.07 3hs9 n MET 832 Cb 0.49 -2.33 -0.04 0.00 0.00 0.00 0.00 33.22 31.34 3hs9 n MET 832 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3hs9 s GLU 833 N -3.00 4.07 0.13 2.12 -6.30 -1.26 -4.84 118.70 109.62 3hs9 s GLU 833 Ca 0.78 1.52 -0.19 0.00 -2.50 0.00 0.00 54.97 54.58 3hs9 s GLU 833 Cb -0.40 -2.47 -0.05 0.00 0.00 0.00 0.00 34.13 31.21 3hs9 s GLU 833 CO 0.44 -0.23 1.77 0.00 0.02 0.00 0.00 175.26 177.27 3hs9 h ARG 834 N 2.32 0.26 -0.76 4.30 3.08 -1.95 1.14 114.38 122.78 3hs9 h ARG 834 Ca -0.49 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 3hs9 h ARG 834 Cb 1.22 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3hs9 h ARG 834 CO 0.62 0.17 0.28 1.96 -1.07 0.00 0.00 179.97 181.93 3hs9 h GLN 835 N 0.27 1.16 -0.73 0.04 1.08 -1.98 0.35 115.11 115.30 3hs9 h GLN 835 Ca 0.09 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 3hs9 h GLN 835 Cb -0.01 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 3hs9 h GLN 835 CO -0.04 0.96 0.21 0.28 -0.95 0.00 0.00 178.83 179.29 3hs9 h VAL 836 N 1.12 1.26 0.31 -0.54 2.07 -1.73 -0.01 116.25 118.73 3hs9 h VAL 836 Ca 0.25 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3hs9 h VAL 836 Cb 0.26 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3hs9 h VAL 836 CO -0.02 0.36 -0.21 0.15 0.02 0.00 0.00 177.57 177.88 3hs9 h PHE 837 N 1.09 -0.56 -0.33 1.57 3.57 0.20 -0.39 116.94 122.09 3hs9 h PHE 837 Ca 0.23 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.80 3hs9 h PHE 837 Cb 0.33 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 3hs9 h PHE 837 CO 0.03 -0.33 -0.32 1.25 -2.23 0.00 0.00 178.31 176.71 3hs9 h LEU 838 N -0.52 -1.04 -0.72 0.59 6.46 -0.11 0.40 115.31 120.37 3hs9 h LEU 838 Ca -0.03 0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.78 3hs9 h LEU 838 Cb 0.44 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 3hs9 h LEU 838 CO 0.01 -0.33 -0.41 0.00 -0.62 0.00 0.00 178.44 177.10 3hs9 h ALA 839 N 0.69 0.89 -0.12 1.25 0.00 -0.97 -1.78 119.26 119.22 3hs9 h ALA 839 Ca 0.15 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 3hs9 h ALA 839 Cb 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hs9 h ALA 839 CO -0.49 0.64 -0.72 1.15 0.00 0.00 0.00 179.25 179.83 3hs9 h THR 840 N 0.41 1.31 -0.39 0.00 2.02 -0.63 -0.55 112.91 115.09 3hs9 h THR 840 Ca 0.03 -1.96 0.03 0.00 0.77 0.00 0.00 66.41 65.29 3hs9 h THR 840 Cb 0.90 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 3hs9 h THR 840 CO 0.08 0.61 0.18 -0.25 0.37 0.00 0.00 175.52 176.50 3hs9 h TRP 841 N 0.39 0.32 -0.79 3.16 2.91 -0.16 -0.54 115.95 121.25 3hs9 h TRP 841 Ca -0.06 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.07 3hs9 h TRP 841 Cb 1.36 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.87 3hs9 h TRP 841 CO 0.10 0.16 0.52 -0.22 -1.03 0.00 0.00 178.44 177.96 3hs9 h LYS 842 N 0.36 0.71 -0.00 2.65 3.64 -1.25 -3.31 116.57 119.37 3hs9 h LYS 842 Ca 0.17 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3hs9 h LYS 842 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hs9 h LYS 842 CO -0.13 0.47 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.91 3hs9 h ASP 843 N 0.73 0.15 -1.91 4.20 3.45 0.42 -3.45 116.42 120.01 3hs9 h ASP 843 Ca 0.36 -0.77 -0.65 0.00 0.43 0.00 0.00 57.03 56.41 3hs9 h ASP 843 Cb 0.43 -0.05 0.04 0.00 -0.56 0.00 0.00 39.33 39.20 3hs9 h ASP 843 CO -0.14 0.90 0.75 -0.38 -1.57 0.00 0.00 179.24 178.81 3hs9 n ILE 844 N -4.58 0.15 -1.19 0.35 -0.00 -0.53 -4.86 119.36 108.71 3hs9 n ILE 844 Ca -0.10 -0.03 -0.43 0.00 -0.00 0.00 0.00 62.75 62.19 3hs9 n ILE 844 Cb 0.46 -1.30 -0.04 0.00 -0.00 0.00 0.00 39.64 38.76 3hs9 n ILE 844 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3hs9 n PRO 845 N 3.99 0.00 0.24 0.38 -0.02 -1.26 -4.85 135.00 133.48 3hs9 n PRO 845 Ca 0.20 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3hs9 n PRO 845 Cb 0.23 -1.00 0.43 0.00 -0.02 0.00 0.00 33.50 33.14 3hs9 n PRO 845 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3hs9 h ASN 846 N 1.52 0.00 0.34 2.55 2.35 -1.92 -1.00 115.58 119.42 3hs9 h ASN 846 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3hs9 h ASN 846 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3hs9 h ASN 846 CO 0.50 0.00 -0.04 -1.84 -1.65 0.00 0.00 177.43 174.40 3hs9 n GLU 847 N -3.05 0.70 -0.30 0.81 0.28 -1.26 -2.80 120.64 115.02 3hs9 n GLU 847 Ca 0.02 -0.13 0.07 0.00 -0.16 0.00 0.00 57.16 56.97 3hs9 n GLU 847 Cb 0.41 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 32.00 3hs9 n GLU 847 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hs9 n ASN 848 N -1.04 2.80 -4.73 -1.84 4.13 -0.38 -4.87 115.26 109.33 3hs9 n ASN 848 Ca 0.17 -2.10 -0.36 0.00 1.68 0.00 0.00 54.58 53.97 3hs9 n ASN 848 Cb 0.23 -0.37 -0.08 0.00 -1.54 0.00 0.00 39.78 38.03 3hs9 n ASN 848 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3hs9 s GLU 849 N -1.50 4.22 0.05 3.52 2.12 -1.12 -3.28 118.70 122.71 3hs9 s GLU 849 Ca 0.32 -0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.63 3hs9 s GLU 849 Cb 0.18 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3hs9 s GLU 849 CO 0.20 0.27 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.50 3hs9 s LEU 850 N 0.41 2.18 -0.10 2.70 1.43 -0.03 -4.98 118.68 120.28 3hs9 s LEU 850 Ca 0.12 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3hs9 s LEU 850 Cb -0.12 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 3hs9 s LEU 850 CO 0.01 0.09 -0.09 -1.10 0.23 0.00 0.00 176.35 175.49 3hs9 s GLN 851 N -1.22 3.12 0.06 1.70 -1.52 -1.26 -0.46 119.66 120.08 3hs9 s GLN 851 Ca 0.05 -0.60 0.03 0.00 -1.95 0.00 0.00 55.36 52.88 3hs9 s GLN 851 Cb -0.08 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 30.03 3hs9 s GLN 851 CO 0.02 0.43 -0.09 -0.06 -0.25 0.00 0.00 175.29 175.34 3hs9 s PHE 852 N -0.18 0.80 -0.24 0.91 0.08 0.15 -4.97 117.98 114.53 3hs9 s PHE 852 Ca 0.01 -0.56 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 3hs9 s PHE 852 Cb -0.13 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.84 3hs9 s PHE 852 CO 0.03 -0.07 0.01 -0.65 -0.10 0.00 0.00 175.22 174.44 3hs9 s GLN 853 N -1.99 3.48 -0.59 0.44 -1.52 -1.26 0.47 119.66 118.69 3hs9 s GLN 853 Ca -0.05 -0.57 -0.25 0.00 -1.95 0.00 0.00 55.36 52.54 3hs9 s GLN 853 Cb -0.07 -3.17 0.04 0.00 -0.22 0.00 0.00 33.01 29.59 3hs9 s GLN 853 CO -0.00 -0.21 1.01 0.42 -0.25 0.00 0.00 175.29 176.26 3hs9 s ILE 854 N 1.54 4.27 0.74 1.08 -1.09 0.17 -4.91 121.20 122.99 3hs9 s ILE 854 Ca 0.06 0.28 -0.11 0.00 -2.23 0.00 0.00 60.65 58.65 3hs9 s ILE 854 Cb -0.15 -4.62 0.04 0.00 -1.58 0.00 0.00 42.46 36.15 3hs9 s ILE 854 CO 0.00 -1.27 1.08 -0.54 -1.23 0.00 0.00 174.94 172.98 3hs9 s LYS 855 N 4.27 2.51 -0.57 2.79 -0.14 -1.26 -1.32 119.74 126.02 3hs9 s LYS 855 Ca 0.31 1.06 -0.02 0.00 -1.36 0.00 0.00 55.97 55.96 3hs9 s LYS 855 Cb -0.12 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 3hs9 s LYS 855 CO 0.18 -1.43 0.03 0.39 -0.76 0.00 0.00 175.35 173.77 3hs9 n GLU 856 N -3.37 -0.95 -4.66 1.68 -0.58 -0.93 -4.90 120.64 106.93 3hs9 n GLU 856 Ca 0.08 -0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.48 3hs9 n GLU 856 Cb 0.53 -1.22 -0.13 0.00 -0.57 0.00 0.00 31.44 30.05 3hs9 n GLU 856 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hs9 n HIS 858 N 3.36 0.00 -2.98 0.00 8.25 -1.26 -4.45 115.22 118.14 3hs9 n HIS 858 Ca -0.18 -0.34 -0.36 0.00 -0.26 0.00 0.00 57.72 56.58 3hs9 n HIS 858 Cb 0.53 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 3hs9 n HIS 858 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hs9 s LEU 859 N -0.69 4.32 0.87 2.41 1.43 -1.26 -5.07 118.68 120.69 3hs9 s LEU 859 Ca 0.00 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 54.53 3hs9 s LEU 859 Cb 0.00 -3.79 0.12 0.00 0.03 0.00 0.00 46.19 42.56 3hs9 s LEU 859 CO 0.00 -0.03 1.21 0.54 0.23 0.00 0.00 176.35 178.31 3hs9 s ASN 860 N -1.68 3.92 0.15 2.29 2.20 -1.26 -4.79 114.94 115.77 3hs9 s ASN 860 Ca 0.47 0.66 -0.18 0.00 -0.94 0.00 0.00 52.86 52.87 3hs9 s ASN 860 Cb -0.17 -1.03 0.05 0.00 -2.00 0.00 0.00 41.25 38.10 3hs9 s ASN 860 CO 0.21 -2.26 1.69 0.00 -2.94 0.00 0.00 177.10 173.80 3hs9 h ALA 861 N -1.31 0.23 -0.63 3.54 0.00 -1.99 -0.71 119.26 118.40 3hs9 h ALA 861 Ca -0.46 0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.67 3hs9 h ALA 861 Cb 1.30 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 3hs9 h ALA 861 CO 0.57 -0.45 0.22 -0.44 0.00 0.00 0.00 179.25 179.16 3hs9 h ASP 862 N 0.02 0.19 -0.33 0.00 3.45 -1.98 0.56 116.42 118.34 3hs9 h ASP 862 Ca 0.15 0.09 -0.16 0.00 0.43 0.00 0.00 57.03 57.54 3hs9 h ASP 862 Cb 0.23 0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3hs9 h ASP 862 CO -0.31 0.11 -0.44 0.74 -1.57 0.00 0.00 179.24 177.77 3hs9 h THR 863 N 0.39 1.28 -0.44 0.35 2.02 -1.74 -0.77 112.91 114.00 3hs9 h THR 863 Ca 0.33 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3hs9 h THR 863 Cb 0.44 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3hs9 h THR 863 CO -0.34 0.53 0.22 0.58 0.37 0.00 0.00 175.52 176.88 3hs9 h VAL 864 N 0.66 1.17 0.00 3.16 2.07 -0.69 0.19 116.25 122.82 3hs9 h VAL 864 Ca 0.04 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3hs9 h VAL 864 Cb 1.04 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hs9 h VAL 864 CO 0.10 0.19 -0.36 0.28 0.02 0.00 0.00 177.57 177.80 3hs9 h SER 865 N 0.56 0.00 0.14 0.57 0.02 -0.79 -1.72 113.55 112.34 3hs9 h SER 865 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3hs9 h SER 865 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3hs9 h SER 865 CO -0.02 0.36 -0.07 -1.28 -1.14 0.00 0.00 176.83 174.68 3hs9 h SER 866 N 0.00 -0.16 -0.97 3.07 0.87 -0.82 -2.72 113.55 112.82 3hs9 h SER 866 Ca -0.00 -0.31 0.15 0.00 -1.23 0.00 0.00 61.79 60.40 3hs9 h SER 866 Cb 0.69 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 62.61 3hs9 h SER 866 CO 0.05 0.42 0.61 0.11 -0.53 0.00 0.00 176.83 177.49 3hs9 h LYS 867 N -0.95 0.78 -0.08 2.24 1.57 -0.93 -2.26 116.57 116.94 3hs9 h LYS 867 Ca -0.02 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 3hs9 h LYS 867 Cb 0.46 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hs9 h LYS 867 CO 0.03 0.52 -0.84 1.25 -0.57 0.00 0.00 179.45 179.84 3hs9 h LEU 868 N 0.81 0.75 -1.36 2.94 5.85 -1.39 -2.91 115.31 120.00 3hs9 h LEU 868 Ca 0.51 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3hs9 h LEU 868 Cb 0.72 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hs9 h LEU 868 CO -0.28 1.31 -0.31 -0.61 -0.34 0.00 0.00 178.44 178.21 3hs9 h GLN 869 N 0.40 0.00 0.00 1.25 4.15 -1.09 -1.22 115.11 118.60 3hs9 h GLN 869 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3hs9 h GLN 869 Cb 1.46 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.15 3hs9 h GLN 869 CO 0.16 0.31 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.40 3hs9 h ASN 870 N 0.00 0.00 -0.51 -0.69 2.35 -1.23 -2.08 115.58 113.42 3hs9 h ASN 870 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hs9 h ASN 870 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3hs9 h ASN 870 CO 0.04 0.06 0.00 0.59 -1.65 0.00 0.00 177.43 176.47 3hs9 n ASN 871 N -3.67 4.51 -1.25 5.81 4.13 -0.70 -3.05 115.26 121.03 3hs9 n ASN 871 Ca -0.02 -2.61 -0.11 0.00 1.68 0.00 0.00 54.58 53.52 3hs9 n ASN 871 Cb 0.16 -0.55 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 3hs9 n ASN 871 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hs9 n ASN 872 N 0.58 -3.53 -4.29 6.41 5.03 -0.78 -4.85 115.26 113.83 3hs9 n ASN 872 Ca 0.23 -0.02 -0.38 0.00 0.87 0.00 0.00 54.58 55.28 3hs9 n ASN 872 Cb 0.89 -2.74 -0.12 0.00 -1.02 0.00 0.00 39.78 36.78 3hs9 n ASN 872 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hs9 s VAL 873 N -2.56 3.82 0.09 2.41 1.01 -0.55 -4.67 120.40 119.96 3hs9 s VAL 873 Ca 0.02 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 3hs9 s VAL 873 Cb -0.01 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3hs9 s VAL 873 CO 0.02 -0.11 0.38 -0.31 0.00 0.00 0.00 175.10 175.08 3hs9 s TYR 874 N 1.43 3.55 -0.42 5.22 2.02 -0.26 -2.75 117.35 126.14 3hs9 s TYR 874 Ca -0.01 0.71 -0.11 0.00 -0.37 0.00 0.00 57.07 57.29 3hs9 s TYR 874 Cb -0.19 -2.10 0.07 0.00 -0.40 0.00 0.00 41.96 39.33 3hs9 s TYR 874 CO 0.03 0.50 0.28 0.99 -1.57 0.00 0.00 175.55 175.78 3hs9 s THR 875 N -1.46 4.54 0.08 -0.71 2.01 -1.26 -2.10 115.64 116.73 3hs9 s THR 875 Ca 0.35 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 61.15 3hs9 s THR 875 Cb -0.13 -3.71 -0.25 0.00 0.01 0.00 0.00 72.50 68.41 3hs9 s THR 875 CO 0.20 -0.47 1.13 0.40 -0.69 0.00 0.00 174.62 175.18 3hs9 h ILE 876 N 5.96 1.50 -1.53 1.82 1.08 0.18 -3.48 117.51 123.04 3hs9 h ILE 876 Ca -0.25 -3.14 0.09 0.00 -0.39 0.00 0.00 64.86 61.17 3hs9 h ILE 876 Cb 1.09 2.86 -0.23 0.00 -3.07 0.00 0.00 36.82 37.47 3hs9 h ILE 876 CO 0.77 0.89 0.57 0.00 -0.69 0.00 0.00 178.15 179.69 3hs9 s ALA 877 N -2.67 -1.95 -0.12 1.87 0.00 -1.22 -4.92 121.76 112.75 3hs9 s ALA 877 Ca -0.03 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3hs9 s ALA 877 Cb 0.08 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3hs9 s ALA 877 CO 0.85 -0.30 -0.12 0.21 0.00 0.00 0.00 175.76 176.40 3hs9 s LYS 878 N -1.03 1.98 -0.13 0.00 2.20 -1.26 -1.28 119.74 120.22 3hs9 s LYS 878 Ca -0.01 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3hs9 s LYS 878 Cb -0.01 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3hs9 s LYS 878 CO 0.01 -0.20 -0.17 0.50 -0.36 0.00 0.00 175.35 175.13 3hs9 s ARG 879 N 1.42 2.49 -0.53 4.03 3.52 0.58 -4.98 118.95 125.47 3hs9 s ARG 879 Ca 0.02 -0.65 -0.17 0.00 -0.13 0.00 0.00 55.73 54.79 3hs9 s ARG 879 Cb -0.13 -2.10 0.10 0.00 -1.56 0.00 0.00 34.95 31.26 3hs9 s ARG 879 CO -0.07 -0.08 0.56 1.21 -0.81 0.00 0.00 175.30 176.11 3hs9 s ASN 880 N 1.02 6.18 -0.25 -2.12 3.04 -1.26 -0.39 114.94 121.16 3hs9 s ASN 880 Ca -0.05 -1.43 0.01 0.00 0.04 0.00 0.00 52.86 51.44 3hs9 s ASN 880 Cb -0.15 -2.25 0.06 0.00 -1.54 0.00 0.00 41.25 37.38 3hs9 s ASN 880 CO -0.03 -0.90 -0.05 -0.69 -3.04 0.00 0.00 177.10 172.39 3hs9 s VAL 881 N 2.11 1.63 -0.20 -5.21 1.01 -0.76 -4.74 120.40 114.24 3hs9 s VAL 881 Ca 0.08 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 3hs9 s VAL 881 Cb -0.25 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3hs9 s VAL 881 CO 0.06 -0.15 0.17 -0.62 0.00 0.00 0.00 175.10 174.57 3hs9 n GLU 882 N 4.62 -1.16 -0.59 2.72 -0.58 -1.26 -3.29 120.64 121.11 3hs9 n GLU 882 Ca -0.11 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3hs9 n GLU 882 Cb 0.44 -3.03 0.00 0.00 -0.57 0.00 0.00 31.44 28.28 3hs9 n GLU 882 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hs9 n GLY 883 N -0.85 0.00 3.62 0.62 0.00 -1.26 -4.93 105.19 102.39 3hs9 n GLY 883 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3hs9 n GLY 883 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hs9 s GLN 884 N -1.17 4.03 0.24 1.61 -0.21 -1.21 -4.41 119.66 118.54 3hs9 s GLN 884 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 3hs9 s GLN 884 Cb 0.00 -3.63 -0.09 0.00 1.00 0.00 0.00 33.01 30.30 3hs9 s GLN 884 CO 0.00 -0.18 1.00 -0.51 -2.12 0.00 0.00 175.29 173.48 3hs9 s ASP 885 N 1.50 7.49 -0.11 5.90 1.01 0.34 -1.83 116.67 130.98 3hs9 s ASP 885 Ca 0.13 2.05 -0.00 0.00 0.71 0.00 0.00 52.55 55.43 3hs9 s ASP 885 Cb -0.15 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.19 3hs9 s ASP 885 CO 0.09 0.02 -0.08 -0.32 0.21 0.00 0.00 175.17 175.09 3hs9 s MET 886 N -1.10 1.61 -0.14 8.23 1.75 0.47 -0.16 119.30 129.96 3hs9 s MET 886 Ca 0.43 -0.29 -0.02 0.00 -1.25 0.00 0.00 55.69 54.56 3hs9 s MET 886 Cb -0.28 -1.63 -0.02 0.00 2.84 0.00 0.00 34.83 35.74 3hs9 s MET 886 CO 0.35 -0.25 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.86 3hs9 s LEU 887 N 1.64 2.92 -0.21 4.11 1.43 0.10 -0.31 118.68 128.36 3hs9 s LEU 887 Ca 0.04 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3hs9 s LEU 887 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3hs9 s LEU 887 CO -0.08 0.16 0.05 -0.31 0.23 0.00 0.00 176.35 176.40 3hs9 s TYR 888 N 0.40 3.11 -0.05 0.29 2.02 -0.40 0.42 117.35 123.13 3hs9 s TYR 888 Ca -0.08 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 3hs9 s TYR 888 Cb -0.15 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.30 3hs9 s TYR 888 CO 0.04 -0.17 0.10 -0.65 -1.57 0.00 0.00 175.55 173.30 3hs9 s GLN 889 N 1.06 -0.01 0.02 -0.62 -0.21 0.12 0.20 119.66 120.22 3hs9 s GLN 889 Ca 0.03 0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.84 3hs9 s GLN 889 Cb -0.14 -0.34 -0.04 0.00 1.00 0.00 0.00 33.01 33.50 3hs9 s GLN 889 CO 0.03 -0.27 -0.01 -1.54 -2.12 0.00 0.00 175.29 171.38 3hs9 s SER 890 N 1.83 5.01 0.02 5.90 1.04 -0.89 0.16 113.70 126.77 3hs9 s SER 890 Ca -0.01 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3hs9 s SER 890 Cb -0.12 -1.26 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 3hs9 s SER 890 CO -0.04 0.25 -0.04 -1.48 0.98 0.00 0.00 173.24 172.91 3hs9 s LEU 891 N -1.74 2.20 -0.14 2.42 2.34 0.13 -1.10 118.68 122.80 3hs9 s LEU 891 Ca 0.21 -0.44 0.02 0.00 0.06 0.00 0.00 54.13 53.98 3hs9 s LEU 891 Cb -0.11 -0.02 0.01 0.00 -0.56 0.00 0.00 46.19 45.50 3hs9 s LEU 891 CO 0.12 -0.21 -0.21 -0.75 -1.06 0.00 0.00 176.35 174.24 3hs9 s LYS 892 N -1.25 3.06 1.08 1.48 2.20 -1.26 0.62 119.74 125.66 3hs9 s LYS 892 Ca -0.11 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 54.48 3hs9 s LYS 892 Cb -0.08 -2.46 0.25 0.00 -1.51 0.00 0.00 37.83 34.02 3hs9 s LYS 892 CO -0.00 0.01 1.23 -0.51 -0.36 0.00 0.00 175.35 175.72 3hs9 s LEU 893 N 0.77 1.80 0.14 5.43 1.43 -0.31 -0.82 118.68 127.12 3hs9 s LEU 893 Ca -0.08 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3hs9 s LEU 893 Cb -0.16 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3hs9 s LEU 893 CO -0.01 -3.41 1.37 0.71 0.23 0.00 0.00 176.35 175.25 3hs9 h THR 894 N -2.10 1.33 0.00 5.49 1.35 -1.62 -3.00 112.91 114.36 3hs9 h THR 894 Ca -0.44 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3hs9 h THR 894 Cb 1.26 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3hs9 h THR 894 CO 0.35 0.64 0.00 -0.46 -0.25 0.00 0.00 175.52 175.79 3hs9 n ASN 895 N -3.88 1.74 0.00 5.36 6.94 -1.26 -4.89 115.26 119.27 3hs9 n ASN 895 Ca -0.06 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 3hs9 n ASN 895 Cb 0.73 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3hs9 n ASN 895 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hs9 n GLY 896 N 0.25 2.82 3.64 4.83 0.00 -1.13 -5.01 105.19 110.59 3hs9 n GLY 896 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 3hs9 n GLY 896 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hs9 n ILE 897 N -1.17 0.12 -3.37 -0.61 5.41 -1.26 -4.66 119.36 113.81 3hs9 n ILE 897 Ca 0.00 -0.02 -0.36 0.00 1.00 0.00 0.00 62.75 63.37 3hs9 n ILE 897 Cb 0.00 -1.13 -0.06 0.00 -0.71 0.00 0.00 39.64 37.74 3hs9 n ILE 897 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 3hs9 s TRP 898 N 1.54 3.64 -0.13 1.39 0.52 -1.26 -1.16 118.94 123.48 3hs9 s TRP 898 Ca 0.87 1.07 0.00 0.00 0.02 0.00 0.00 56.10 58.06 3hs9 s TRP 898 Cb -0.91 -2.37 0.02 0.00 -1.15 0.00 0.00 33.47 29.07 3hs9 s TRP 898 CO 0.50 0.48 -0.12 0.42 0.02 0.00 0.00 176.95 178.24 3hs9 s ILE 899 N -1.38 1.39 -0.08 2.03 1.09 0.20 -4.07 121.20 120.39 3hs9 s ILE 899 Ca 0.35 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.36 3hs9 s ILE 899 Cb -0.16 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 3hs9 s ILE 899 CO 0.19 0.43 -0.00 -0.76 -0.10 0.00 0.00 174.94 174.69 3hs9 s LEU 900 N 1.52 3.54 0.04 2.97 1.02 -0.02 0.21 118.68 127.97 3hs9 s LEU 900 Ca 0.04 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.34 3hs9 s LEU 900 Cb -0.13 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3hs9 s LEU 900 CO -0.09 0.37 -0.09 0.00 0.02 0.00 0.00 176.35 176.56 3hs9 s ALA 901 N -0.89 0.71 -0.19 4.21 0.00 0.41 0.30 121.76 126.32 3hs9 s ALA 901 Ca 0.14 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3hs9 s ALA 901 Cb -0.11 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3hs9 s ALA 901 CO 0.03 0.04 -0.19 -2.00 0.00 0.00 0.00 175.76 173.63 3hs9 s GLU 902 N -1.50 2.89 -0.10 0.00 2.12 0.59 0.14 118.70 122.84 3hs9 s GLU 902 Ca -0.07 -0.87 -0.01 0.00 0.36 0.00 0.00 54.97 54.38 3hs9 s GLU 902 Cb -0.09 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 3hs9 s GLU 902 CO 0.01 -0.25 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.25 3hs9 s LEU 903 N 1.28 3.17 -0.25 2.70 2.96 0.17 -0.47 118.68 128.23 3hs9 s LEU 903 Ca 0.04 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3hs9 s LEU 903 Cb -0.14 -1.72 0.06 0.00 0.50 0.00 0.00 46.19 44.90 3hs9 s LEU 903 CO -0.12 0.28 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.50 3hs9 s ARG 904 N -0.31 2.00 -0.13 1.98 3.52 -0.11 0.03 118.95 125.93 3hs9 s ARG 904 Ca 0.05 -1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 54.42 3hs9 s ARG 904 Cb -0.13 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 3hs9 s ARG 904 CO 0.02 -0.58 -0.07 0.42 -0.81 0.00 0.00 175.30 174.28 3hs9 s ILE 905 N 1.22 3.61 -0.06 4.11 1.01 0.77 -2.58 121.20 129.28 3hs9 s ILE 905 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3hs9 s ILE 905 Cb -0.20 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.76 3hs9 s ILE 905 CO -0.05 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.41 3hs9 s GLN 906 N 0.06 0.54 0.53 2.79 0.00 -1.26 0.13 119.66 122.44 3hs9 s GLN 906 Ca -0.02 0.10 -0.20 0.00 -0.00 0.00 0.00 55.36 55.25 3hs9 s GLN 906 Cb -0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 33.01 31.93 3hs9 s GLN 906 CO 0.03 -0.26 0.69 -2.30 0.00 0.00 0.00 175.29 173.46 3hs9 n PRO 907 N 4.90 0.72 0.00 9.60 -0.02 -1.26 -3.02 135.00 145.92 3hs9 n PRO 907 Ca -0.11 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3hs9 n PRO 907 Cb 0.50 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3hs9 n PRO 907 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hs9 n GLY 908 N 1.59 1.94 3.69 -1.23 0.00 -1.26 -4.98 105.19 104.95 3hs9 n GLY 908 Ca 0.12 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3hs9 n GLY 908 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hs9 s ASN 909 N 0.00 6.62 -0.38 1.61 2.47 -1.17 -4.98 114.94 119.12 3hs9 s ASN 909 Ca 0.00 0.74 -0.02 0.00 0.42 0.00 0.00 52.86 54.00 3hs9 s ASN 909 Cb 0.00 -2.28 0.19 0.00 -1.45 0.00 0.00 41.25 37.71 3hs9 s ASN 909 CO 0.00 -0.08 2.20 -0.81 -3.72 0.00 0.00 177.10 174.70 3hs9 n PRO 910 N 4.18 2.01 -3.87 0.43 -0.04 -1.26 -4.56 135.00 131.89 3hs9 n PRO 910 Ca -0.06 -1.88 -0.22 0.00 -0.04 0.00 0.00 63.50 61.30 3hs9 n PRO 910 Cb 0.51 -1.79 -0.17 0.00 -0.04 0.00 0.00 33.50 32.01 3hs9 n PRO 910 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hs9 s ASN 911 N 0.08 1.45 -0.01 3.54 -0.87 -1.26 -2.19 114.94 115.68 3hs9 s ASN 911 Ca 0.40 -0.11 -0.10 0.00 -1.57 0.00 0.00 52.86 51.48 3hs9 s ASN 911 Cb 0.30 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.25 41.01 3hs9 s ASN 911 CO -0.06 -0.16 0.31 -0.31 -2.57 0.00 0.00 177.10 174.32 3hs9 s TYR 912 N 1.70 3.64 -0.19 2.20 2.02 -0.43 -4.77 117.35 121.51 3hs9 s TYR 912 Ca 0.01 0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 57.34 3hs9 s TYR 912 Cb -0.13 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 3hs9 s TYR 912 CO -0.04 0.64 0.23 0.99 -1.57 0.00 0.00 175.55 175.79 3hs9 s THR 913 N -1.17 5.34 -0.25 -0.71 2.01 -1.07 0.41 115.64 120.20 3hs9 s THR 913 Ca 0.24 0.38 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 3hs9 s THR 913 Cb -0.14 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.83 3hs9 s THR 913 CO 0.13 0.38 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.13 3hs9 s LEU 914 N 0.66 3.15 -0.38 4.42 2.96 0.18 -0.94 118.68 128.72 3hs9 s LEU 914 Ca 0.12 -0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 52.91 3hs9 s LEU 914 Cb -0.13 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3hs9 s LEU 914 CO 0.03 -0.13 0.26 -0.44 -1.32 0.00 0.00 176.35 174.74 3hs9 s SER 915 N 1.26 5.97 -0.22 3.68 0.01 0.38 0.35 113.70 125.13 3hs9 s SER 915 Ca -0.02 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 3hs9 s SER 915 Cb -0.17 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 3hs9 s SER 915 CO -0.06 -0.38 0.03 -0.76 0.41 0.00 0.00 173.24 172.48 3hs9 s LEU 916 N 1.65 3.35 -0.31 2.44 1.43 0.40 -0.30 118.68 127.34 3hs9 s LEU 916 Ca 0.04 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3hs9 s LEU 916 Cb -0.19 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3hs9 s LEU 916 CO 0.09 0.03 0.09 -0.54 0.23 0.00 0.00 176.35 176.26 3hs9 s LYS 917 N 1.19 3.03 0.06 1.70 1.02 0.15 -0.85 119.74 126.04 3hs9 s LYS 917 Ca 0.04 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.19 3hs9 s LYS 917 Cb -0.14 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3hs9 s LYS 917 CO 0.02 -0.48 -0.17 0.00 -0.92 0.00 0.00 175.35 173.80 3hs9 h ARG 919 N 4.61 0.16 -4.17 0.00 2.43 -1.89 -3.28 114.38 112.23 3hs9 h ARG 919 Ca -0.42 -0.06 -0.69 0.00 -0.81 0.00 0.00 59.98 58.00 3hs9 h ARG 919 Cb 1.18 -0.01 -0.35 0.00 -0.42 0.00 0.00 29.97 30.37 3hs9 h ARG 919 CO 0.42 0.47 -0.49 0.00 -1.51 0.00 0.00 179.97 178.86 3hs9 s ALA 920 N -4.31 3.29 -2.05 2.80 0.00 -1.26 -4.98 121.76 115.25 3hs9 s ALA 920 Ca -0.04 -2.79 0.18 0.00 0.00 0.00 0.00 51.96 49.31 3hs9 s ALA 920 Cb 0.14 -2.48 0.94 0.00 0.00 0.00 0.00 23.12 21.72 3hs9 s ALA 920 CO 0.75 -1.90 1.62 -2.30 0.00 0.00 0.00 175.76 173.92 3hs9 n PRO 921 N 4.20 1.16 0.17 0.00 -0.02 -1.24 -2.92 135.00 136.35 3hs9 n PRO 921 Ca 0.01 -0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.38 3hs9 n PRO 921 Cb 0.40 -1.29 0.32 0.00 -0.02 0.00 0.00 33.50 32.91 3hs9 n PRO 921 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hs9 h GLU 922 N 0.47 0.00 -0.22 -0.52 4.11 -1.93 -3.18 114.58 113.31 3hs9 h GLU 922 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 3hs9 h GLU 922 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hs9 h GLU 922 CO 0.00 0.00 -0.20 0.28 0.07 0.00 0.00 179.01 179.16 3hs9 h VAL 923 N 0.00 1.32 -1.15 -1.06 2.07 -1.96 -3.38 116.25 112.08 3hs9 h VAL 923 Ca 0.00 -1.36 0.33 0.00 0.82 0.00 0.00 66.70 66.49 3hs9 h VAL 923 Cb 0.82 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 32.22 3hs9 h VAL 923 CO 0.00 0.42 0.77 0.28 0.02 0.00 0.00 177.57 179.06 3hs9 h SER 924 N 0.21 0.27 -0.98 0.57 0.02 -1.74 0.45 113.55 112.35 3hs9 h SER 924 Ca 0.04 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3hs9 h SER 924 Cb 0.75 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 3hs9 h SER 924 CO 0.05 0.01 0.63 -0.61 -1.14 0.00 0.00 176.83 175.78 3hs9 h GLN 925 N 0.21 1.30 0.00 3.45 4.15 -1.78 -1.55 115.11 120.90 3hs9 h GLN 925 Ca 0.63 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.79 3hs9 h GLN 925 Cb 1.97 -0.29 -0.02 0.00 0.21 0.00 0.00 27.48 29.35 3hs9 h GLN 925 CO -0.22 0.87 -0.79 1.88 -1.93 0.00 0.00 178.83 178.64 3hs9 h TYR 926 N 1.33 0.00 -0.22 3.99 0.05 -0.37 -2.47 116.97 119.29 3hs9 h TYR 926 Ca 0.36 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.09 3hs9 h TYR 926 Cb -0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 3hs9 h TYR 926 CO 0.00 0.79 -0.03 0.82 -1.05 0.00 0.00 178.16 178.69 3hs9 h ILE 927 N 0.00 1.27 -0.25 -2.88 1.08 -1.11 -3.01 117.51 112.61 3hs9 h ILE 927 Ca -0.01 -0.99 0.04 0.00 -0.39 0.00 0.00 64.86 63.52 3hs9 h ILE 927 Cb 1.53 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.71 3hs9 h ILE 927 CO 0.10 0.30 0.01 0.22 -0.69 0.00 0.00 178.15 178.09 3hs9 h TYR 928 N 0.16 0.00 -1.07 1.37 3.20 -1.25 -0.24 116.97 119.14 3hs9 h TYR 928 Ca 0.06 0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.23 3hs9 h TYR 928 Cb 0.47 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.69 3hs9 h TYR 928 CO 0.05 -0.03 0.71 0.37 -1.64 0.00 0.00 178.16 177.61 3hs9 h GLN 929 N 0.09 0.29 0.11 1.82 4.15 -1.46 0.41 115.11 120.51 3hs9 h GLN 929 Ca 0.12 -0.02 -0.32 0.00 0.77 0.00 0.00 58.65 59.20 3hs9 h GLN 929 Cb 0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3hs9 h GLN 929 CO -0.19 0.19 -1.64 0.28 -1.93 0.00 0.00 178.83 175.54 3hs9 h VAL 930 N 0.30 1.02 -0.59 2.39 2.07 -1.29 -2.16 116.25 117.98 3hs9 h VAL 930 Ca 0.59 -2.69 0.04 0.00 0.82 0.00 0.00 66.70 65.45 3hs9 h VAL 930 Cb 1.69 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 34.09 3hs9 h VAL 930 CO -0.24 0.79 0.35 1.88 0.02 0.00 0.00 177.57 180.37 3hs9 h TYR 931 N 0.06 0.64 -0.22 1.57 0.05 0.66 -1.58 116.97 118.16 3hs9 h TYR 931 Ca -0.28 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 3hs9 h TYR 931 Cb 2.02 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.55 3hs9 h TYR 931 CO 0.06 0.35 0.08 0.22 -1.05 0.00 0.00 178.16 177.82 3hs9 h ASP 932 N 0.67 0.31 -0.06 3.88 3.58 -0.19 -1.59 116.42 123.02 3hs9 h ASP 932 Ca 0.25 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 3hs9 h ASP 932 Cb 0.07 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3hs9 h ASP 932 CO -0.13 0.40 -0.33 0.77 -2.88 0.00 0.00 179.24 177.08 3hs9 h SER 933 N 0.20 0.56 0.16 2.28 4.64 -1.38 -2.71 113.55 117.30 3hs9 h SER 933 Ca 0.07 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3hs9 h SER 933 Cb 0.19 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hs9 h SER 933 CO -0.01 0.85 -0.07 0.40 -0.87 0.00 0.00 176.83 177.13 3hs9 h ILE 934 N 0.46 0.93 0.00 0.95 2.04 -1.07 -2.18 117.51 118.64 3hs9 h ILE 934 Ca 0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3hs9 h ILE 934 Cb 0.79 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3hs9 h ILE 934 CO 0.06 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.49 3hs9 n LEU 935 N -5.10 0.00 -0.00 1.44 4.77 -0.62 -3.09 117.00 114.40 3hs9 n LEU 935 Ca -0.09 0.06 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 3hs9 n LEU 935 Cb 0.17 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3hs9 n LEU 935 CO 0.33 -0.01 -0.41 0.29 -1.33 0.00 0.00 177.39 176.26 3hs9 n LYS 936 N -1.06 1.57 0.00 3.23 5.02 -1.02 -4.93 118.16 120.96 3hs9 n LYS 936 Ca 0.18 -0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 3hs9 n LYS 936 Cb 0.12 -1.10 0.03 0.00 -0.02 0.00 0.00 35.03 34.05 3hs9 n LYS 936 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97