#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs8 s GLU 702 N 0.00 3.04 -0.19 3.97 2.02 0.12 -4.98 118.70 122.68 3hs8 s GLU 702 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.14 3hs8 s GLU 702 Cb 0.00 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.86 3hs8 s GLU 702 CO 0.00 0.04 -0.11 0.34 0.02 0.00 0.00 175.26 175.55 3hs8 s ASP 703 N 0.68 3.30 -0.13 -0.19 -1.08 -1.26 -1.49 116.67 116.50 3hs8 s ASP 703 Ca -0.10 -0.83 0.16 0.00 -0.52 0.00 0.00 52.55 51.25 3hs8 s ASP 703 Cb -0.16 -1.24 0.41 0.00 -1.46 0.00 0.00 42.92 40.46 3hs8 s ASP 703 CO 0.01 -0.13 1.31 0.59 0.52 0.00 0.00 175.17 177.47 3hs8 n ASN 704 N 4.69 3.26 -0.23 -0.34 5.03 0.77 -4.73 115.26 123.71 3hs8 n ASN 704 Ca -0.15 -2.85 0.02 0.00 0.87 0.00 0.00 54.58 52.47 3hs8 n ASN 704 Cb 0.47 -0.44 0.10 0.00 -1.02 0.00 0.00 39.78 38.89 3hs8 n ASN 704 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3hs8 h PHE 705 N 1.26 -0.18 0.00 3.10 3.57 -1.84 -0.15 116.94 122.70 3hs8 h PHE 705 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hs8 h PHE 705 Cb 1.18 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3hs8 h PHE 705 CO 0.31 -0.24 0.00 0.00 -2.23 0.00 0.00 178.31 176.14 3hs8 n ALA 706 N -2.98 1.72 -0.61 2.41 0.00 -1.26 -2.07 120.51 117.73 3hs8 n ALA 706 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.49 3hs8 n ALA 706 Cb 0.38 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.91 3hs8 n ALA 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hs8 n ARG 707 N -1.39 3.82 -0.09 0.00 1.74 -0.07 -4.21 116.66 116.46 3hs8 n ARG 707 Ca 0.05 -2.57 0.08 0.00 -0.77 0.00 0.00 57.85 54.64 3hs8 n ARG 707 Cb 0.14 -2.11 0.12 0.00 -1.02 0.00 0.00 32.46 29.59 3hs8 n ARG 707 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hs8 n PHE 708 N 0.26 0.00 -0.15 -1.55 3.72 -0.88 -4.67 117.46 114.19 3hs8 n PHE 708 Ca 0.28 -0.89 -0.08 0.00 -0.05 0.00 0.00 57.45 56.71 3hs8 n PHE 708 Cb 1.11 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 39.58 3hs8 n PHE 708 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hs8 h VAL 709 N 0.47 1.26 -0.01 -4.37 2.07 -1.80 -3.32 116.25 110.55 3hs8 h VAL 709 Ca 0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3hs8 h VAL 709 Cb 0.98 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3hs8 h VAL 709 CO 0.00 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.02 3hs8 s LYS 711 N -2.37 0.96 -0.00 0.00 -2.85 -1.25 -4.44 119.74 109.79 3hs8 s LYS 711 Ca 0.24 -1.17 0.07 0.00 -1.00 0.00 0.00 55.97 54.10 3hs8 s LYS 711 Cb 0.21 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 36.22 3hs8 s LYS 711 CO 0.02 -0.31 0.26 0.09 0.10 0.00 0.00 175.35 175.51 3hs8 n ASN 712 N -0.11 0.88 -3.95 0.03 3.02 -1.26 -4.71 115.26 109.15 3hs8 n ASN 712 Ca -0.10 -0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 53.78 3hs8 n ASN 712 Cb 0.63 1.06 -0.13 0.00 -0.61 0.00 0.00 39.78 40.72 3hs8 n ASN 712 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hs8 s ASN 713 N -1.85 0.41 0.00 6.41 -0.87 -1.26 -2.22 114.94 115.57 3hs8 s ASN 713 Ca 0.02 -0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 3hs8 s ASN 713 Cb 0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.27 3hs8 s ASN 713 CO 0.28 -0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.37 3hs8 n GLY 714 N 2.55 -1.07 3.67 0.66 0.00 -0.37 -5.01 105.19 105.62 3hs8 n GLY 714 Ca -0.16 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3hs8 n GLY 714 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hs8 s VAL 715 N -2.89 4.75 -0.06 1.61 1.01 -1.26 -1.01 120.40 122.55 3hs8 s VAL 715 Ca 0.00 1.98 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 3hs8 s VAL 715 Cb 0.00 -4.29 -0.30 0.00 0.00 0.00 0.00 36.38 31.79 3hs8 s VAL 715 CO 0.00 -0.07 0.70 0.25 0.00 0.00 0.00 175.10 175.98 3hs8 h LEU 716 N 8.64 0.54 -7.35 3.92 5.85 -1.09 -3.42 115.31 122.40 3hs8 h LEU 716 Ca -0.26 -0.91 -0.13 0.00 0.84 0.00 0.00 57.88 57.43 3hs8 h LEU 716 Cb 1.11 -0.17 -0.24 0.00 0.37 0.00 0.00 40.66 41.73 3hs8 h LEU 716 CO 0.90 1.65 -0.26 0.12 -0.34 0.00 0.00 178.44 180.52 3hs8 s PHE 717 N -2.52 -0.40 -0.16 1.25 5.36 -1.09 -0.16 117.98 120.26 3hs8 s PHE 717 Ca -0.16 0.94 -0.11 0.00 -0.96 0.00 0.00 56.93 56.64 3hs8 s PHE 717 Cb 0.04 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 3hs8 s PHE 717 CO 0.83 -0.23 0.41 -2.00 -1.46 0.00 0.00 175.22 172.76 3hs8 s GLU 718 N -0.01 0.42 0.00 10.12 2.12 -0.55 0.02 118.70 130.81 3hs8 s GLU 718 Ca -0.02 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.02 3hs8 s GLU 718 Cb -0.03 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.42 3hs8 s GLU 718 CO 0.01 -0.12 0.00 0.27 -0.54 0.00 0.00 175.26 174.88 3hs8 n ASN 719 N 3.79 0.88 0.18 -1.70 0.23 -0.57 0.12 115.26 118.19 3hs8 n ASN 719 Ca -0.20 -0.18 0.03 0.00 -0.53 0.00 0.00 54.58 53.69 3hs8 n ASN 719 Cb 0.56 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.58 3hs8 n ASN 719 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3hs8 h GLN 720 N 0.00 0.00 0.07 -3.83 3.07 -2.02 -3.30 115.11 109.10 3hs8 h GLN 720 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 3hs8 h GLN 720 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 3hs8 h GLN 720 CO 0.00 0.43 -2.20 1.28 0.09 0.00 0.00 178.83 178.43 3hs8 n LEU 721 N -3.89 2.76 -3.96 0.06 4.77 -1.26 -4.71 117.00 110.77 3hs8 n LEU 721 Ca -0.01 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 3hs8 n LEU 721 Cb 0.47 -1.03 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 3hs8 n LEU 721 CO 0.39 0.88 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.69 3hs8 s LEU 722 N -6.84 1.72 -0.14 2.23 2.96 -1.25 -0.62 118.68 116.74 3hs8 s LEU 722 Ca -0.28 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3hs8 s LEU 722 Cb 0.08 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.28 3hs8 s LEU 722 CO 0.69 0.03 -0.05 -1.58 -1.32 0.00 0.00 176.35 174.12 3hs8 s GLN 723 N 0.30 3.51 -0.44 1.98 0.74 -0.05 -1.52 119.66 124.19 3hs8 s GLN 723 Ca -0.04 -0.54 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 3hs8 s GLN 723 Cb -0.09 -2.84 0.12 0.00 1.10 0.00 0.00 33.01 31.30 3hs8 s GLN 723 CO 0.00 0.30 0.27 0.42 -0.55 0.00 0.00 175.29 175.73 3hs8 s ILE 724 N 0.18 3.66 0.46 -2.34 1.01 0.10 0.57 121.20 124.85 3hs8 s ILE 724 Ca -0.03 -1.99 -0.01 0.00 0.00 0.00 0.00 60.65 58.62 3hs8 s ILE 724 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3hs8 s ILE 724 CO 0.03 -0.73 0.70 -0.83 0.00 0.00 0.00 174.94 174.11 3hs8 s GLY 725 N 2.11 1.53 -0.13 6.18 0.00 -0.02 -0.48 107.32 116.51 3hs8 s GLY 725 Ca 0.08 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 3hs8 s GLY 725 CO -0.03 -0.74 0.32 -2.27 0.00 0.00 0.00 173.10 170.38 3hs8 s LEU 726 N -4.61 0.47 0.07 0.66 0.20 -0.18 -0.76 118.68 114.53 3hs8 s LEU 726 Ca 0.48 0.67 0.07 0.00 0.69 0.00 0.00 54.13 56.04 3hs8 s LEU 726 Cb -0.10 1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 46.69 3hs8 s LEU 726 CO 0.40 -0.15 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.57 3hs8 s LYS 727 N 0.76 1.18 0.05 1.98 1.02 -0.39 -1.24 119.74 123.09 3hs8 s LYS 727 Ca -0.05 -1.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3hs8 s LYS 727 Cb -0.06 -1.35 0.01 0.00 -0.52 0.00 0.00 37.83 35.92 3hs8 s LYS 727 CO -0.05 0.33 0.27 -1.54 -0.92 0.00 0.00 175.35 173.43 3hs8 s SER 728 N -1.56 -0.06 -0.01 2.83 1.04 -0.94 -0.17 113.70 114.82 3hs8 s SER 728 Ca 0.06 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 3hs8 s SER 728 Cb -0.09 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3hs8 s SER 728 CO 0.03 -0.62 0.13 -1.83 0.98 0.00 0.00 173.24 171.93 3hs8 s GLU 729 N -2.72 0.39 0.01 4.02 -1.05 -0.34 -4.80 118.70 114.20 3hs8 s GLU 729 Ca -0.04 -0.25 -0.03 0.00 -0.15 0.00 0.00 54.97 54.50 3hs8 s GLU 729 Cb -0.00 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 3hs8 s GLU 729 CO -0.05 -0.08 0.04 -0.06 0.95 0.00 0.00 175.26 176.06 3hs8 s PHE 730 N -0.99 0.16 -0.22 4.83 0.08 -1.26 -0.42 117.98 120.16 3hs8 s PHE 730 Ca -0.11 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.50 3hs8 s PHE 730 Cb -0.06 -0.12 0.08 0.00 -0.57 0.00 0.00 43.02 42.35 3hs8 s PHE 730 CO 0.01 -0.22 0.52 0.50 -0.10 0.00 0.00 175.22 175.93 3hs8 s ARG 731 N -1.33 0.49 4.27 0.44 3.52 -0.00 -4.99 118.95 121.35 3hs8 s ARG 731 Ca -0.14 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 3hs8 s ARG 731 Cb -0.08 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 3hs8 s ARG 731 CO 0.00 -0.18 0.00 1.04 -0.81 0.00 0.00 175.30 175.35 3hs8 n GLN 732 N 4.59 0.00 -0.38 5.12 6.02 -1.26 -1.22 117.38 130.24 3hs8 n GLN 732 Ca -0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.85 3hs8 n GLN 732 Cb 0.55 0.00 0.21 0.00 1.02 0.00 0.00 30.24 32.02 3hs8 n GLN 732 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hs8 n ASN 733 N 2.53 3.05 -4.41 1.08 6.94 -1.26 -4.63 115.26 118.57 3hs8 n ASN 733 Ca 0.00 -2.29 -0.25 0.00 -0.02 0.00 0.00 54.58 52.01 3hs8 n ASN 733 Cb 0.00 -0.46 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 3hs8 n ASN 733 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hs8 s LEU 734 N -1.31 2.45 0.18 -4.53 1.43 -0.36 -0.27 118.68 116.27 3hs8 s LEU 734 Ca 0.30 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 3hs8 s LEU 734 Cb 0.20 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3hs8 s LEU 734 CO 0.14 0.08 0.28 -0.83 0.23 0.00 0.00 176.35 176.25 3hs8 s GLY 735 N -2.74 0.64 -0.02 -3.19 0.00 0.04 -0.82 107.32 101.23 3hs8 s GLY 735 Ca 0.20 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3hs8 s GLY 735 CO 0.10 -0.90 -0.05 -1.60 0.00 0.00 0.00 173.10 170.64 3hs8 s ARG 736 N -4.00 0.55 -0.08 2.90 3.52 0.44 -0.90 118.95 121.37 3hs8 s ARG 736 Ca 0.21 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3hs8 s ARG 736 Cb 0.03 -0.56 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 3hs8 s ARG 736 CO 0.03 0.05 -0.10 1.41 -0.81 0.00 0.00 175.30 175.88 3hs8 s MET 737 N 0.25 1.56 -0.25 5.12 -2.45 -0.22 -1.20 119.30 122.11 3hs8 s MET 737 Ca -0.03 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.01 3hs8 s MET 737 Cb -0.07 -1.44 -0.03 0.00 1.25 0.00 0.00 34.83 34.54 3hs8 s MET 737 CO -0.00 -0.11 0.09 -0.06 1.05 0.00 0.00 175.02 175.99 3hs8 s PHE 738 N 1.14 3.11 -0.14 4.11 0.08 0.76 -0.77 117.98 126.28 3hs8 s PHE 738 Ca -0.06 -0.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 3hs8 s PHE 738 Cb -0.14 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 3hs8 s PHE 738 CO -0.02 -0.30 -0.02 0.42 -0.10 0.00 0.00 175.22 175.20 3hs8 s ILE 739 N 1.58 4.08 -0.24 0.64 1.01 0.28 -1.26 121.20 127.29 3hs8 s ILE 739 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3hs8 s ILE 739 Cb -0.15 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.59 3hs8 s ILE 739 CO 0.05 0.52 -0.12 -0.36 0.00 0.00 0.00 174.94 175.02 3hs8 s PHE 740 N 0.01 3.12 -0.45 3.97 0.08 0.06 -0.96 117.98 123.81 3hs8 s PHE 740 Ca 0.02 -2.06 -0.19 0.00 0.12 0.00 0.00 56.93 54.82 3hs8 s PHE 740 Cb -0.13 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3hs8 s PHE 740 CO 0.02 -0.84 0.55 0.71 -0.10 0.00 0.00 175.22 175.56 3hs8 s TYR 741 N 1.18 3.11 -0.23 0.36 2.02 0.57 -0.84 117.35 123.50 3hs8 s TYR 741 Ca -0.04 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 3hs8 s TYR 741 Cb -0.18 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.13 3hs8 s TYR 741 CO -0.07 -0.84 0.12 0.20 -1.57 0.00 0.00 175.55 173.38 3hs8 s GLY 742 N 2.12 1.90 -0.52 0.71 0.00 0.19 -1.00 107.32 110.73 3hs8 s GLY 742 Ca 0.16 -0.95 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 3hs8 s GLY 742 CO 0.15 0.38 0.86 0.21 0.00 0.00 0.00 173.10 174.70 3hs8 s ASN 743 N 1.13 6.35 0.00 1.64 3.84 0.21 -0.88 114.94 127.24 3hs8 s ASN 743 Ca 0.06 -0.34 0.30 0.00 0.21 0.00 0.00 52.86 53.08 3hs8 s ASN 743 Cb -0.14 -2.41 1.38 0.00 -0.55 0.00 0.00 41.25 39.53 3hs8 s ASN 743 CO 0.04 -1.10 1.93 0.29 -2.79 0.00 0.00 177.10 175.47 3hs8 n LYS 744 N 7.11 1.29 -2.23 0.43 5.02 0.21 -2.09 118.16 127.90 3hs8 n LYS 744 Ca 0.01 -0.52 -0.11 0.00 -2.02 0.00 0.00 58.31 55.67 3hs8 n LYS 744 Cb 0.47 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3hs8 n LYS 744 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hs8 n THR 745 N -0.40 0.00 0.27 -0.18 -2.24 -1.25 -4.85 114.28 105.62 3hs8 n THR 745 Ca 0.20 -0.97 0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3hs8 n THR 745 Cb 0.26 -0.55 0.15 0.00 -2.10 0.00 0.00 70.33 68.08 3hs8 n THR 745 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hs8 n SER 746 N -2.35 2.91 -4.35 3.42 2.88 -1.26 -1.72 113.62 113.15 3hs8 n SER 746 Ca 0.04 -1.85 -0.31 0.00 -1.33 0.00 0.00 58.87 55.42 3hs8 n SER 746 Cb 0.29 -0.17 -0.15 0.00 -0.75 0.00 0.00 64.21 63.43 3hs8 n SER 746 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hs8 s THR 747 N -1.24 2.27 0.40 2.46 2.01 -1.26 -4.63 115.64 115.64 3hs8 s THR 747 Ca 0.28 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 3hs8 s THR 747 Cb 0.16 -1.82 -0.08 0.00 0.01 0.00 0.00 72.50 70.77 3hs8 s THR 747 CO 0.23 0.54 1.14 0.00 -0.69 0.00 0.00 174.62 175.84 3hs8 s GLN 748 N -0.76 4.08 0.35 4.92 -2.07 -1.26 -3.87 119.66 121.05 3hs8 s GLN 748 Ca 0.11 1.76 -0.20 0.00 -1.82 0.00 0.00 55.36 55.21 3hs8 s GLN 748 Cb -0.10 -2.65 -0.10 0.00 -1.09 0.00 0.00 33.01 29.07 3hs8 s GLN 748 CO -0.00 -0.28 0.85 -0.06 -1.32 0.00 0.00 175.29 174.48 3hs8 s PHE 749 N -1.46 3.45 0.14 9.60 0.08 0.13 -4.60 117.98 125.31 3hs8 s PHE 749 Ca 0.57 1.48 0.05 0.00 0.12 0.00 0.00 56.93 59.15 3hs8 s PHE 749 Cb -0.29 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 3hs8 s PHE 749 CO 0.36 0.07 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.27 3hs8 s LEU 750 N -2.75 2.49 -1.63 -0.37 0.20 -0.28 -0.80 118.68 115.54 3hs8 s LEU 750 Ca 0.55 -0.94 -0.08 0.00 0.69 0.00 0.00 54.13 54.34 3hs8 s LEU 750 Cb -0.12 -0.39 0.08 0.00 -0.43 0.00 0.00 46.19 45.33 3hs8 s LEU 750 CO 0.17 -0.28 0.30 0.59 -0.29 0.00 0.00 176.35 176.85 3hs8 n ASN 751 N 0.05 -0.41 -4.59 3.68 4.13 -0.69 -0.15 115.26 117.29 3hs8 n ASN 751 Ca -0.12 -1.20 -0.42 0.00 1.68 0.00 0.00 54.58 54.52 3hs8 n ASN 751 Cb 0.59 -1.95 -0.02 0.00 -1.54 0.00 0.00 39.78 36.87 3hs8 n ASN 751 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hs8 s PHE 752 N -3.91 2.31 -0.48 3.10 2.19 0.14 -4.21 117.98 117.10 3hs8 s PHE 752 Ca 0.29 0.58 0.03 0.00 0.33 0.00 0.00 56.93 58.16 3hs8 s PHE 752 Cb -0.17 -4.34 0.14 0.00 -1.31 0.00 0.00 43.02 37.34 3hs8 s PHE 752 CO 0.98 -2.00 0.28 0.99 1.83 0.00 0.00 175.22 177.30 3hs8 s THR 753 N 5.89 1.65 0.18 0.12 2.01 -0.52 -4.40 115.64 120.57 3hs8 s THR 753 Ca 0.57 -2.88 -0.31 0.00 0.31 0.00 0.00 61.69 59.38 3hs8 s THR 753 Cb -0.12 -2.14 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 3hs8 s THR 753 CO 0.29 -0.93 1.57 -2.84 -0.69 0.00 0.00 174.62 172.02 3hs8 s PRO 754 N 0.02 4.21 -0.11 4.92 0.02 -1.26 -3.83 135.00 138.97 3hs8 s PRO 754 Ca 0.20 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.63 3hs8 s PRO 754 Cb -0.20 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3hs8 s PRO 754 CO -0.04 -0.60 -0.19 0.99 -0.33 0.00 0.00 177.00 176.83 3hs8 s THR 755 N 0.99 1.73 -0.03 0.99 2.01 0.12 -4.97 115.64 116.49 3hs8 s THR 755 Ca 0.69 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 3hs8 s THR 755 Cb -0.44 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 3hs8 s THR 755 CO 0.33 0.49 0.61 -0.76 -0.69 0.00 0.00 174.62 174.60 3hs8 s LEU 756 N 0.71 4.38 -0.11 4.42 1.43 -1.26 -0.21 118.68 128.05 3hs8 s LEU 756 Ca -0.12 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 3hs8 s LEU 756 Cb -0.16 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3hs8 s LEU 756 CO 0.02 0.04 -0.22 -0.63 0.23 0.00 0.00 176.35 175.80 3hs8 s ILE 757 N 0.10 1.94 -0.21 -0.59 1.01 0.23 -4.96 121.20 118.73 3hs8 s ILE 757 Ca 0.32 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3hs8 s ILE 757 Cb -0.18 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.63 3hs8 s ILE 757 CO 0.17 0.53 -0.14 0.00 0.00 0.00 0.00 174.94 175.50 3hs8 n ALA 759 N 4.60 -1.83 -0.34 0.00 0.00 -1.26 -4.58 120.51 117.09 3hs8 n ALA 759 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3hs8 n ALA 759 Cb 0.47 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3hs8 n ALA 759 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hs8 n ASP 760 N -4.19 0.00 0.10 0.00 2.03 -1.26 -0.79 116.55 112.44 3hs8 n ASP 760 Ca 0.08 0.17 0.06 0.00 0.52 0.00 0.00 54.79 55.62 3hs8 n ASP 760 Cb 0.53 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.45 3hs8 n ASP 760 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3hs8 h ASP 761 N 0.00 0.27 -0.28 1.67 3.32 -2.04 -3.27 116.42 116.09 3hs8 h ASP 761 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hs8 h ASP 761 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3hs8 h ASP 761 CO 0.00 0.19 0.16 0.25 -1.72 0.00 0.00 179.24 178.12 3hs8 h LEU 762 N 0.31 0.37 -1.44 1.55 5.85 -1.27 -2.38 115.31 118.30 3hs8 h LEU 762 Ca 0.10 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3hs8 h LEU 762 Cb 0.03 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hs8 h LEU 762 CO -0.02 0.30 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.49 3hs8 h GLN 763 N 0.42 0.00 0.00 1.25 4.15 -1.61 -0.47 115.11 118.86 3hs8 h GLN 763 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3hs8 h GLN 763 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3hs8 h GLN 763 CO -0.02 0.28 -0.25 1.79 -1.93 0.00 0.00 178.83 178.70 3hs8 h THR 764 N 0.00 0.00 0.00 2.39 1.35 -1.67 -3.35 112.91 111.63 3hs8 h THR 764 Ca -0.00 -0.58 -0.04 0.00 -0.55 0.00 0.00 66.41 65.24 3hs8 h THR 764 Cb 0.55 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3hs8 h THR 764 CO 0.04 0.00 -1.89 0.59 -0.25 0.00 0.00 175.52 174.01 3hs8 n ASN 765 N -2.34 0.76 -3.59 5.36 5.03 -0.64 -4.63 115.26 115.21 3hs8 n ASN 765 Ca 0.04 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.35 3hs8 n ASN 765 Cb 0.45 1.74 -0.13 0.00 -1.02 0.00 0.00 39.78 40.82 3hs8 n ASN 765 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3hs8 s LEU 766 N -4.41 -0.26 -0.21 3.41 2.96 -0.28 0.29 118.68 120.19 3hs8 s LEU 766 Ca -0.07 0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 54.10 3hs8 s LEU 766 Cb 0.11 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.39 3hs8 s LEU 766 CO 0.76 -0.27 0.05 0.21 -1.32 0.00 0.00 176.35 175.78 3hs8 s ASN 767 N 2.40 5.24 -0.11 3.68 2.47 0.74 -4.51 114.94 124.84 3hs8 s ASN 767 Ca 0.04 -0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.25 3hs8 s ASN 767 Cb -0.13 -1.91 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 3hs8 s ASN 767 CO -0.10 0.07 -0.22 -0.76 -3.72 0.00 0.00 177.10 172.37 3hs8 s LEU 768 N 0.98 2.15 -0.04 3.21 1.43 -1.26 -0.63 118.68 124.52 3hs8 s LEU 768 Ca 0.03 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3hs8 s LEU 768 Cb -0.14 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 3hs8 s LEU 768 CO 0.03 0.14 -0.16 -1.58 0.23 0.00 0.00 176.35 175.00 3hs8 s GLN 769 N 0.48 1.65 0.18 1.70 -0.44 0.48 -4.96 119.66 118.75 3hs8 s GLN 769 Ca -0.15 -0.56 -0.10 0.00 -2.50 0.00 0.00 55.36 52.05 3hs8 s GLN 769 Cb -0.17 -1.45 -0.01 0.00 -1.64 0.00 0.00 33.01 29.75 3hs8 s GLN 769 CO 0.06 0.22 0.34 -0.08 0.50 0.00 0.00 175.29 176.32 3hs8 s THR 770 N 0.07 0.05 0.32 -0.34 -1.32 -1.26 0.30 115.64 113.45 3hs8 s THR 770 Ca -0.04 -1.36 0.07 0.00 -1.21 0.00 0.00 61.69 59.16 3hs8 s THR 770 Cb -0.11 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 3hs8 s THR 770 CO 0.02 -0.21 0.35 -0.54 -2.21 0.00 0.00 174.62 172.03 3hs8 s LYS 771 N -3.98 2.95 0.51 7.08 1.02 -1.26 -5.07 119.74 121.00 3hs8 s LYS 771 Ca 0.18 -1.12 -0.21 0.00 0.02 0.00 0.00 55.97 54.85 3hs8 s LYS 771 Cb 0.02 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.62 3hs8 s LYS 771 CO 0.02 0.15 1.12 -1.25 -0.92 0.00 0.00 175.35 174.47 3hs8 s PRO 772 N -4.04 3.56 0.46 -1.68 0.04 -1.26 -4.92 135.00 127.16 3hs8 s PRO 772 Ca 0.41 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.12 3hs8 s PRO 772 Cb -0.08 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3hs8 s PRO 772 CO 0.28 -0.68 0.35 0.14 0.04 0.00 0.00 177.00 177.13 3hs8 s VAL 773 N -1.75 2.26 -0.17 -0.36 -7.23 -1.26 -5.06 120.40 106.83 3hs8 s VAL 773 Ca 0.69 -1.46 -0.34 0.00 -1.81 0.00 0.00 61.98 59.07 3hs8 s VAL 773 Cb -0.24 -2.72 -0.16 0.00 0.56 0.00 0.00 36.38 33.83 3hs8 s VAL 773 CO 0.27 0.00 1.02 0.47 -0.31 0.00 0.00 175.10 176.56 3hs8 n ASP 774 N -1.56 0.41 0.16 4.85 8.00 -1.26 -4.86 116.55 122.29 3hs8 n ASP 774 Ca 0.01 0.92 0.02 0.00 0.71 0.00 0.00 54.79 56.46 3hs8 n ASP 774 Cb 0.63 -0.71 0.23 0.00 -0.02 0.00 0.00 41.12 41.26 3hs8 n ASP 774 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3hs8 h PRO 775 N 3.04 0.00 -5.30 -0.24 0.11 -1.96 -3.42 132.00 124.23 3hs8 h PRO 775 Ca -0.38 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.07 3hs8 h PRO 775 Cb 1.10 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.92 3hs8 h PRO 775 CO 0.62 0.50 -0.80 0.99 -0.21 0.00 0.00 178.00 179.10 3hs8 s THR 776 N -3.54 2.70 -0.29 -1.15 2.01 -1.26 0.23 115.64 114.34 3hs8 s THR 776 Ca -0.00 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.25 3hs8 s THR 776 Cb 0.11 -2.11 0.08 0.00 0.01 0.00 0.00 72.50 70.59 3hs8 s THR 776 CO 0.73 0.53 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.47 3hs8 s VAL 777 N 0.43 2.13 0.57 3.82 1.01 0.02 -4.98 120.40 123.40 3hs8 s VAL 777 Ca -0.12 -1.90 -0.20 0.00 0.00 0.00 0.00 61.98 59.75 3hs8 s VAL 777 Cb -0.16 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3hs8 s VAL 777 CO 0.06 -0.30 1.15 0.47 0.00 0.00 0.00 175.10 176.48 3hs8 n ASP 778 N 4.38 1.67 -4.71 3.32 8.00 -1.26 0.22 116.55 128.18 3hs8 n ASP 778 Ca -0.06 0.90 -0.43 0.00 0.71 0.00 0.00 54.79 55.90 3hs8 n ASP 778 Cb 0.42 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 3hs8 n ASP 778 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hs8 n GLY 779 N 1.04 1.23 3.07 0.44 0.00 -1.25 -1.22 105.19 108.49 3hs8 n GLY 779 Ca 0.12 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3hs8 n GLY 779 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs8 n GLY 780 N 2.92 1.43 3.91 -0.02 0.00 -0.70 -4.89 105.19 107.84 3hs8 n GLY 780 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3hs8 n GLY 780 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs8 s ALA 781 N -3.58 3.44 -0.07 4.61 0.00 -0.36 -4.79 121.76 121.01 3hs8 s ALA 781 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3hs8 s ALA 781 Cb 0.00 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.60 3hs8 s ALA 781 CO 0.00 -0.33 -0.13 -1.14 0.00 0.00 0.00 175.76 174.16 3hs8 s GLN 782 N -4.70 1.80 0.04 0.00 0.74 -1.26 -0.61 119.66 115.67 3hs8 s GLN 782 Ca 0.47 -0.44 0.09 0.00 0.05 0.00 0.00 55.36 55.53 3hs8 s GLN 782 Cb -0.10 -1.50 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 3hs8 s GLN 782 CO 0.44 0.02 -0.25 0.08 -0.55 0.00 0.00 175.29 175.02 3hs8 s VAL 783 N 0.72 2.25 -0.07 1.34 1.01 -0.17 -4.93 120.40 120.55 3hs8 s VAL 783 Ca -0.13 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3hs8 s VAL 783 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3hs8 s VAL 783 CO 0.03 0.37 -0.08 -1.10 0.00 0.00 0.00 175.10 174.32 3hs8 s GLN 784 N -1.24 2.72 -0.04 2.72 -0.21 -1.26 -0.32 119.66 122.03 3hs8 s GLN 784 Ca 0.12 -0.57 0.04 0.00 0.02 0.00 0.00 55.36 54.97 3hs8 s GLN 784 Cb -0.10 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 3hs8 s GLN 784 CO 0.02 0.65 -0.16 -1.14 -2.12 0.00 0.00 175.29 172.54 3hs8 s GLN 785 N -0.77 1.66 -0.13 2.91 0.74 -0.14 -4.91 119.66 119.02 3hs8 s GLN 785 Ca 0.12 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.95 3hs8 s GLN 785 Cb -0.11 -1.46 -0.02 0.00 1.10 0.00 0.00 33.01 32.52 3hs8 s GLN 785 CO 0.01 0.23 -0.09 0.08 -0.55 0.00 0.00 175.29 174.97 3hs8 s VAL 786 N 0.06 3.44 -0.20 1.34 1.01 -1.26 -0.56 120.40 124.23 3hs8 s VAL 786 Ca -0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3hs8 s VAL 786 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3hs8 s VAL 786 CO 0.02 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 3hs8 s VAL 787 N 0.17 3.53 -0.13 2.92 1.01 0.05 -4.05 120.40 123.90 3hs8 s VAL 787 Ca -0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3hs8 s VAL 787 Cb -0.14 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3hs8 s VAL 787 CO 0.04 0.44 0.38 0.20 0.00 0.00 0.00 175.10 176.16 3hs8 s ASN 788 N 1.16 6.57 -0.03 3.32 0.01 0.15 -1.05 114.94 125.07 3hs8 s ASN 788 Ca 0.02 0.67 0.07 0.00 -0.71 0.00 0.00 52.86 52.91 3hs8 s ASN 788 Cb -0.14 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 3hs8 s ASN 788 CO -0.00 0.06 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.78 3hs8 s ILE 789 N 0.48 1.87 -0.07 0.60 1.01 -0.08 -0.39 121.20 124.61 3hs8 s ILE 789 Ca 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 3hs8 s ILE 789 Cb -0.14 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.80 3hs8 s ILE 789 CO 0.07 0.53 -0.00 -0.70 0.00 0.00 0.00 174.94 174.84 3hs8 s GLU 790 N -0.44 0.61 -0.36 2.79 2.12 0.20 -0.78 118.70 122.84 3hs8 s GLU 790 Ca 0.06 0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.19 3hs8 s GLU 790 Cb -0.10 -0.94 0.02 0.00 0.26 0.00 0.00 34.13 33.37 3hs8 s GLU 790 CO 0.00 -0.28 1.09 0.00 -0.54 0.00 0.00 175.26 175.53 3hs8 h ILE 792 N 5.86 0.76 -3.47 0.00 2.04 -0.47 -2.84 117.51 119.39 3hs8 h ILE 792 Ca -0.21 -2.43 -0.07 0.00 1.00 0.00 0.00 64.86 63.15 3hs8 h ILE 792 Cb 1.06 2.60 -0.06 0.00 -0.74 0.00 0.00 36.82 39.68 3hs8 h ILE 792 CO 1.06 0.87 0.03 -0.55 0.00 0.00 0.00 178.15 179.55 3hs8 s SER 793 N -7.07 0.10 0.72 1.72 0.15 -0.61 -2.73 113.70 105.97 3hs8 s SER 793 Ca -0.19 -1.03 -0.16 0.00 0.70 0.00 0.00 55.95 55.28 3hs8 s SER 793 Cb 0.06 0.69 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 3hs8 s SER 793 CO 0.80 -1.34 1.23 1.51 1.20 0.00 0.00 173.24 176.64 3hs8 s ASP 794 N -3.05 4.24 0.07 5.45 -4.77 -1.26 -4.68 116.67 112.66 3hs8 s ASP 794 Ca 0.20 2.42 -0.19 0.00 -3.30 0.00 0.00 52.55 51.68 3hs8 s ASP 794 Cb -0.03 -2.60 0.04 0.00 -1.09 0.00 0.00 42.92 39.25 3hs8 s ASP 794 CO 0.11 -2.24 0.45 0.72 0.70 0.00 0.00 175.17 174.92 3hs8 s PHE 795 N -1.85 -0.31 -0.15 2.11 -0.12 -1.26 -4.91 117.98 111.48 3hs8 s PHE 795 Ca 0.76 0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 57.84 3hs8 s PHE 795 Cb -0.31 0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 42.27 3hs8 s PHE 795 CO 0.44 -0.63 -0.16 2.41 -0.05 0.00 0.00 175.22 177.22 3hs8 n THR 796 N 0.27 0.86 -1.60 -4.49 -1.04 -1.26 -4.49 114.28 102.52 3hs8 n THR 796 Ca -0.18 -0.28 -0.32 0.00 -2.04 0.00 0.00 64.05 61.23 3hs8 n THR 796 Cb 0.61 -1.32 0.06 0.00 -1.82 0.00 0.00 70.33 67.86 3hs8 n THR 796 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hs8 s GLU 797 N -2.30 2.66 -0.01 -2.82 0.41 -1.26 -4.94 118.70 110.45 3hs8 s GLU 797 Ca -0.21 1.29 0.02 0.00 -0.41 0.00 0.00 54.97 55.66 3hs8 s GLU 797 Cb 0.07 -1.94 -0.03 0.00 -1.78 0.00 0.00 34.13 30.44 3hs8 s GLU 797 CO 0.32 -1.35 -0.04 0.00 -0.49 0.00 0.00 175.26 173.70 3hs8 s ALA 798 N -2.56 3.12 0.61 5.21 0.00 -1.26 -4.95 121.76 121.93 3hs8 s ALA 798 Ca 0.64 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 3hs8 s ALA 798 Cb -0.19 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3hs8 s ALA 798 CO 0.46 0.62 1.23 -2.14 0.00 0.00 0.00 175.76 175.94 3hs8 s PRO 799 N -1.41 2.86 -0.16 0.00 0.02 -1.26 -4.78 135.00 130.27 3hs8 s PRO 799 Ca 0.17 1.89 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 3hs8 s PRO 799 Cb -0.11 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3hs8 s PRO 799 CO 0.08 -1.31 0.02 0.08 -0.33 0.00 0.00 177.00 175.53 3hs8 s VAL 800 N -1.55 4.39 -0.35 3.83 1.01 0.23 -0.96 120.40 127.00 3hs8 s VAL 800 Ca 0.79 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 3hs8 s VAL 800 Cb -0.32 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hs8 s VAL 800 CO 0.35 0.49 0.38 -0.22 0.00 0.00 0.00 175.10 176.10 3hs8 s LEU 801 N 0.19 4.49 -0.17 3.92 2.96 -0.01 0.78 118.68 130.84 3hs8 s LEU 801 Ca 0.01 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3hs8 s LEU 801 Cb -0.13 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3hs8 s LEU 801 CO 0.02 -0.38 0.00 0.21 -1.32 0.00 0.00 176.35 174.88 3hs8 s ASN 802 N 1.74 5.13 -0.20 3.68 2.47 0.71 -1.84 114.94 126.64 3hs8 s ASN 802 Ca 0.12 -0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.36 3hs8 s ASN 802 Cb -0.17 -1.86 0.03 0.00 -1.45 0.00 0.00 41.25 37.81 3hs8 s ASN 802 CO 0.12 0.16 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.87 3hs8 s ILE 803 N 0.42 1.96 -0.06 -5.21 1.09 0.14 0.13 121.20 119.67 3hs8 s ILE 803 Ca -0.01 -1.07 0.05 0.00 -1.10 0.00 0.00 60.65 58.52 3hs8 s ILE 803 Cb -0.13 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.37 3hs8 s ILE 803 CO 0.02 0.35 -0.21 -1.10 -0.10 0.00 0.00 174.94 173.89 3hs8 s GLN 804 N 1.29 2.61 0.06 2.79 -0.21 -1.25 -0.20 119.66 124.75 3hs8 s GLN 804 Ca 0.01 -0.84 -0.21 0.00 0.02 0.00 0.00 55.36 54.34 3hs8 s GLN 804 Cb -0.15 -2.26 0.05 0.00 1.00 0.00 0.00 33.01 31.65 3hs8 s GLN 804 CO -0.10 0.42 0.50 -0.59 -2.12 0.00 0.00 175.29 173.40 3hs8 s PHE 805 N -0.25 -0.39 0.34 0.91 -0.12 -0.15 -1.44 117.98 116.87 3hs8 s PHE 805 Ca -0.00 0.38 -0.18 0.00 -0.05 0.00 0.00 56.93 57.07 3hs8 s PHE 805 Cb -0.13 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.49 3hs8 s PHE 805 CO 0.03 -0.65 0.81 1.03 -0.05 0.00 0.00 175.22 176.39 3hs8 s ARG 806 N -2.64 4.15 -0.34 1.99 0.52 0.79 -0.00 118.95 123.43 3hs8 s ARG 806 Ca -0.04 0.88 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3hs8 s ARG 806 Cb -0.00 -2.46 0.17 0.00 0.52 0.00 0.00 34.95 33.17 3hs8 s ARG 806 CO -0.03 0.15 0.48 -0.47 0.02 0.00 0.00 175.30 175.45 3hs8 s TYR 807 N -1.94 -1.14 -1.36 -0.53 5.04 0.43 -1.13 117.35 116.72 3hs8 s TYR 807 Ca 0.54 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3hs8 s TYR 807 Cb -0.12 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.16 3hs8 s TYR 807 CO 0.17 -1.04 0.00 0.41 -1.34 0.00 0.00 175.55 173.75 3hs8 n GLY 808 N 4.88 1.03 0.00 8.97 0.00 -1.26 -2.07 105.19 116.74 3hs8 n GLY 808 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hs8 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs8 n GLY 809 N -1.26 0.21 3.87 -0.02 0.00 -1.26 -5.07 105.19 101.67 3hs8 n GLY 809 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3hs8 n GLY 809 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hs8 s THR 810 N -2.00 5.46 -0.31 2.61 -1.32 -0.88 -5.08 115.64 114.13 3hs8 s THR 810 Ca 0.00 0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.45 3hs8 s THR 810 Cb 0.00 -3.38 -0.01 0.00 -1.51 0.00 0.00 72.50 67.60 3hs8 s THR 810 CO 0.00 0.61 0.67 0.12 -2.21 0.00 0.00 174.62 173.81 3hs8 s PHE 811 N -1.03 3.21 -0.14 9.09 2.19 -1.26 -0.43 117.98 129.61 3hs8 s PHE 811 Ca 0.15 0.63 -0.05 0.00 0.33 0.00 0.00 56.93 57.99 3hs8 s PHE 811 Cb -0.12 -3.05 -0.04 0.00 -1.31 0.00 0.00 43.02 38.50 3hs8 s PHE 811 CO 0.04 -0.50 0.04 -0.65 1.83 0.00 0.00 175.22 175.98 3hs8 s GLN 812 N 2.70 3.53 -0.13 10.12 -1.52 1.00 -5.00 119.66 130.36 3hs8 s GLN 812 Ca 0.27 -0.35 -0.04 0.00 -1.95 0.00 0.00 55.36 53.29 3hs8 s GLN 812 Cb -0.15 -3.03 0.06 0.00 -0.22 0.00 0.00 33.01 29.67 3hs8 s GLN 812 CO 0.12 0.49 0.14 1.21 -0.25 0.00 0.00 175.29 177.00 3hs8 s ASN 813 N -0.26 1.41 -0.03 5.90 3.84 -1.26 -0.98 114.94 123.56 3hs8 s ASN 813 Ca 0.07 -0.11 0.05 0.00 0.21 0.00 0.00 52.86 53.08 3hs8 s ASN 813 Cb -0.12 0.11 -0.01 0.00 -0.55 0.00 0.00 41.25 40.68 3hs8 s ASN 813 CO 0.02 -0.30 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.16 3hs8 s VAL 814 N 2.24 1.49 0.03 -5.21 1.01 0.72 -4.98 120.40 115.70 3hs8 s VAL 814 Ca 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3hs8 s VAL 814 Cb -0.14 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3hs8 s VAL 814 CO -0.08 0.43 -0.14 -0.44 0.00 0.00 0.00 175.10 174.86 3hs8 s SER 815 N -0.15 1.71 -0.13 3.32 0.01 -1.26 0.27 113.70 117.47 3hs8 s SER 815 Ca 0.00 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 3hs8 s SER 815 Cb -0.10 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.05 3hs8 s SER 815 CO 0.01 0.07 0.53 0.54 0.41 0.00 0.00 173.24 174.80 3hs8 s VAL 816 N -0.74 0.01 0.21 3.43 0.11 -0.76 -5.01 120.40 117.64 3hs8 s VAL 816 Ca 0.03 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 3hs8 s VAL 816 Cb -0.07 -0.79 -0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3hs8 s VAL 816 CO 0.01 -0.05 0.88 -0.54 -3.33 0.00 0.00 175.10 172.06 3hs8 s LYS 817 N -0.43 4.75 0.22 1.54 1.02 -1.26 -0.83 119.74 124.76 3hs8 s LYS 817 Ca -0.06 1.36 -0.28 0.00 0.02 0.00 0.00 55.97 57.02 3hs8 s LYS 817 Cb -0.03 -3.27 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 3hs8 s LYS 817 CO 0.04 0.54 0.88 -0.51 -0.92 0.00 0.00 175.35 175.38 3hs8 s LEU 818 N -1.16 4.59 -1.46 3.17 1.43 -0.13 -4.69 118.68 120.42 3hs8 s LEU 818 Ca 0.39 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.18 3hs8 s LEU 818 Cb -0.25 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.46 3hs8 s LEU 818 CO 0.30 0.15 2.30 -0.81 0.23 0.00 0.00 176.35 178.52 3hs8 n PRO 819 N 1.40 3.10 -3.94 1.29 -0.04 -1.26 -4.43 135.00 131.11 3hs8 n PRO 819 Ca -0.03 -2.66 -0.33 0.00 -0.04 0.00 0.00 63.50 60.44 3hs8 n PRO 819 Cb 0.48 -3.16 -0.14 0.00 -0.04 0.00 0.00 33.50 30.64 3hs8 n PRO 819 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hs8 s ILE 820 N 2.65 2.67 0.32 0.52 1.01 -1.26 -5.03 121.20 122.07 3hs8 s ILE 820 Ca 0.50 -2.05 0.10 0.00 0.00 0.00 0.00 60.65 59.19 3hs8 s ILE 820 Cb 0.14 -2.82 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 3hs8 s ILE 820 CO -0.08 -0.50 -0.12 0.42 0.00 0.00 0.00 174.94 174.67 3hs8 s THR 821 N 1.04 2.21 0.45 2.92 -4.23 -1.26 -4.64 115.64 112.13 3hs8 s THR 821 Ca 0.06 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.42 3hs8 s THR 821 Cb -0.20 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.39 3hs8 s THR 821 CO -0.06 -0.28 2.08 0.25 -0.54 0.00 0.00 174.62 176.08 3hs8 h LEU 822 N 2.13 0.32 0.00 4.79 5.85 -1.92 -1.51 115.31 124.96 3hs8 h LEU 822 Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3hs8 h LEU 822 Cb 1.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hs8 h LEU 822 CO 0.67 0.23 0.00 -0.46 -0.34 0.00 0.00 178.44 178.54 3hs8 n ASN 823 N -4.49 0.00 0.28 1.25 6.94 -1.26 -1.97 115.26 116.01 3hs8 n ASN 823 Ca 0.02 0.25 0.17 0.00 -0.02 0.00 0.00 54.58 55.00 3hs8 n ASN 823 Cb 0.09 -0.39 0.78 0.00 -2.36 0.00 0.00 39.78 37.90 3hs8 n ASN 823 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3hs8 h LYS 824 N 0.00 0.00 -0.61 -3.83 1.79 -1.54 -1.61 116.57 110.76 3hs8 h LYS 824 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3hs8 h LYS 824 Cb 0.24 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 3hs8 h LYS 824 CO 0.00 0.05 0.07 1.19 -1.08 0.00 0.00 179.45 179.68 3hs8 n PHE 825 N -3.21 2.17 -3.65 -1.35 3.72 -0.83 -4.75 117.46 109.55 3hs8 n PHE 825 Ca -0.01 -0.86 -0.38 0.00 -0.05 0.00 0.00 57.45 56.16 3hs8 n PHE 825 Cb 0.26 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.13 3hs8 n PHE 825 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3hs8 s PHE 826 N -2.84 3.17 -0.05 1.38 5.36 -0.61 -0.93 117.98 123.46 3hs8 s PHE 826 Ca 0.55 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 3hs8 s PHE 826 Cb 0.42 -2.34 -0.02 0.00 -0.34 0.00 0.00 43.02 40.74 3hs8 s PHE 826 CO 0.15 -0.30 -0.16 -0.65 -1.46 0.00 0.00 175.22 172.81 3hs8 s GLN 827 N 1.68 2.51 0.43 10.12 -1.52 0.18 -4.60 119.66 128.45 3hs8 s GLN 827 Ca 0.06 -0.72 -0.24 0.00 -1.95 0.00 0.00 55.36 52.51 3hs8 s GLN 827 Cb -0.16 -2.35 -0.08 0.00 -0.22 0.00 0.00 33.01 30.20 3hs8 s GLN 827 CO 0.08 0.59 1.13 -1.25 -0.25 0.00 0.00 175.29 175.58 3hs8 s PRO 828 N -0.65 3.96 -0.17 2.91 0.04 -0.54 -0.50 135.00 140.04 3hs8 s PRO 828 Ca 0.10 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3hs8 s PRO 828 Cb -0.11 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.97 3hs8 s PRO 828 CO 0.01 -0.36 0.02 0.95 0.04 0.00 0.00 177.00 177.65 3hs8 s THR 829 N -1.55 0.58 0.51 1.26 -4.23 -0.73 -4.81 115.64 106.67 3hs8 s THR 829 Ca 0.60 -0.45 -0.20 0.00 -1.18 0.00 0.00 61.69 60.45 3hs8 s THR 829 Cb -0.27 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 3hs8 s THR 829 CO 0.33 -0.09 1.11 -1.61 -0.54 0.00 0.00 174.62 173.82 3hs8 s GLU 830 N 1.85 3.57 -0.01 3.99 0.41 -1.26 -4.58 118.70 122.66 3hs8 s GLU 830 Ca 0.00 1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 55.84 3hs8 s GLU 830 Cb -0.16 -2.11 0.08 0.00 -1.78 0.00 0.00 34.13 30.16 3hs8 s GLU 830 CO -0.07 -0.66 0.74 0.00 -0.49 0.00 0.00 175.26 174.77 3hs8 s MET 831 N -3.15 1.01 0.84 1.61 0.23 -1.26 -5.13 119.30 113.44 3hs8 s MET 831 Ca 0.69 0.01 -0.11 0.00 -1.03 0.00 0.00 55.69 55.25 3hs8 s MET 831 Cb -0.22 0.47 0.09 0.00 -1.53 0.00 0.00 34.83 33.64 3hs8 s MET 831 CO 0.26 -0.36 1.10 0.00 -2.03 0.00 0.00 175.02 173.99 3hs8 s ALA 832 N -2.00 1.89 0.26 3.16 0.00 -1.26 -4.83 121.76 118.99 3hs8 s ALA 832 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3hs8 s ALA 832 Cb -0.00 -3.30 0.35 0.00 0.00 0.00 0.00 23.12 20.17 3hs8 s ALA 832 CO 0.01 -2.15 1.69 0.66 0.00 0.00 0.00 175.76 175.97 3hs8 h SER 833 N -1.41 0.54 0.07 0.00 4.64 -1.93 -1.18 113.55 114.28 3hs8 h SER 833 Ca -0.45 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 60.56 3hs8 h SER 833 Cb 1.25 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3hs8 h SER 833 CO 0.49 0.79 -0.41 1.56 -0.87 0.00 0.00 176.83 178.39 3hs8 h GLN 834 N 0.47 0.44 -0.22 4.77 7.50 -1.97 -0.72 115.11 125.38 3hs8 h GLN 834 Ca 0.06 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 58.97 3hs8 h GLN 834 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 3hs8 h GLN 834 CO 0.05 0.78 0.03 -0.44 -1.50 0.00 0.00 178.83 177.75 3hs8 h ASP 835 N 0.36 0.36 -0.46 1.46 3.32 -1.89 -1.72 116.42 117.85 3hs8 h ASP 835 Ca 0.03 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 56.89 3hs8 h ASP 835 Cb 0.88 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 3hs8 h ASP 835 CO 0.07 0.54 -0.00 0.15 -1.72 0.00 0.00 179.24 178.28 3hs8 h PHE 836 N 0.16 -0.03 -0.25 4.55 3.57 -0.80 -1.26 116.94 122.88 3hs8 h PHE 836 Ca 0.07 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3hs8 h PHE 836 Cb 0.34 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3hs8 h PHE 836 CO 0.02 -0.10 -0.39 0.74 -2.23 0.00 0.00 178.31 176.35 3hs8 h PHE 837 N 0.11 0.70 -0.42 0.41 0.04 -1.00 0.10 116.94 116.89 3hs8 h PHE 837 Ca 0.23 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3hs8 h PHE 837 Cb 0.33 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3hs8 h PHE 837 CO -0.30 0.89 0.22 0.37 -0.60 0.00 0.00 178.31 178.90 3hs8 h GLN 838 N 0.49 0.44 -0.55 1.51 4.15 -1.07 -1.15 115.11 118.92 3hs8 h GLN 838 Ca 0.04 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hs8 h GLN 838 Cb 0.90 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 3hs8 h GLN 838 CO 0.08 0.29 0.17 0.00 -1.93 0.00 0.00 178.83 177.44 3hs8 h ARG 839 N 0.45 0.86 -0.48 1.69 2.47 -0.77 -1.13 114.38 117.47 3hs8 h ARG 839 Ca 0.17 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hs8 h ARG 839 Cb 0.05 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3hs8 h ARG 839 CO -0.10 0.78 0.27 2.35 0.56 0.00 0.00 179.97 183.82 3hs8 h TRP 840 N 0.77 0.66 0.00 3.04 2.91 -0.59 -2.74 115.95 119.99 3hs8 h TRP 840 Ca 0.18 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.10 3hs8 h TRP 840 Cb 0.28 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3hs8 h TRP 840 CO 0.02 0.49 -0.39 0.87 -1.03 0.00 0.00 178.44 178.40 3hs8 h LYS 841 N 0.64 0.00 -0.38 2.65 1.57 -1.03 -2.03 116.57 117.98 3hs8 h LYS 841 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hs8 h LYS 841 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3hs8 h LYS 841 CO -0.03 0.39 0.22 0.37 -0.57 0.00 0.00 179.45 179.83 3hs8 h GLN 842 N 0.00 0.51 -2.62 3.15 4.15 -0.91 -3.23 115.11 116.16 3hs8 h GLN 842 Ca -0.00 -0.04 -0.75 0.00 0.77 0.00 0.00 58.65 58.62 3hs8 h GLN 842 Cb 0.80 -0.11 -0.14 0.00 0.21 0.00 0.00 27.48 28.24 3hs8 h GLN 842 CO 0.05 0.37 2.25 1.28 -1.93 0.00 0.00 178.83 180.85 3hs8 n LEU 843 N -4.45 7.92 -0.70 -2.39 4.77 -0.76 -4.64 117.00 116.75 3hs8 n LEU 843 Ca 0.03 -4.94 0.11 0.00 -0.03 0.00 0.00 56.01 51.18 3hs8 n LEU 843 Cb 0.09 -1.35 0.04 0.00 -2.33 0.00 0.00 43.42 39.87 3hs8 n LEU 843 CO 0.36 2.03 0.45 -1.54 -1.33 0.00 0.00 177.39 177.36 3hs8 n SER 844 N 1.62 2.46 -4.73 -1.43 3.41 -1.22 -4.80 113.62 108.93 3hs8 n SER 844 Ca 0.60 -1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 57.06 3hs8 n SER 844 Cb 0.25 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3hs8 n SER 844 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hs8 s ASN 845 N -2.25 7.25 0.58 4.04 3.84 -1.26 -4.93 114.94 122.21 3hs8 s ASN 845 Ca 0.23 1.99 0.27 0.00 0.21 0.00 0.00 52.86 55.56 3hs8 s ASN 845 Cb 0.19 -2.59 1.67 0.00 -0.55 0.00 0.00 41.25 39.97 3hs8 s ASN 845 CO 0.45 -0.27 2.17 -0.65 -2.79 0.00 0.00 177.10 176.00 3hs8 h PRO 846 N 5.78 0.00 0.00 0.43 0.11 -1.95 0.28 132.00 136.65 3hs8 h PRO 846 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hs8 h PRO 846 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hs8 h PRO 846 CO 0.75 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.50 3hs8 h GLN 847 N 0.00 0.00 0.00 1.05 4.20 -1.97 -3.07 115.11 115.32 3hs8 h GLN 847 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hs8 h GLN 847 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hs8 h GLN 847 CO -0.00 0.00 -0.54 1.04 -0.67 0.00 0.00 178.83 178.66 3hs8 n GLN 848 N -2.88 0.28 -4.38 1.46 6.02 0.09 -4.16 117.38 113.81 3hs8 n GLN 848 Ca 0.01 0.10 -0.34 0.00 -0.01 0.00 0.00 57.00 56.75 3hs8 n GLN 848 Cb 0.26 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 3hs8 n GLN 848 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hs8 s GLU 849 N -3.15 3.47 -0.10 -1.09 2.12 -1.16 -2.00 118.70 116.79 3hs8 s GLU 849 Ca 0.07 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.93 3hs8 s GLU 849 Cb 0.13 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.65 3hs8 s GLU 849 CO 0.70 0.39 -0.12 0.08 -0.54 0.00 0.00 175.26 175.77 3hs8 s VAL 850 N -0.02 1.26 0.04 3.70 1.01 -0.58 -4.99 120.40 120.81 3hs8 s VAL 850 Ca 0.02 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3hs8 s VAL 850 Cb -0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3hs8 s VAL 850 CO 0.02 0.39 -0.24 -1.58 0.00 0.00 0.00 175.10 173.70 3hs8 s GLN 851 N 1.06 1.67 -0.02 2.72 0.74 -1.26 -0.82 119.66 123.75 3hs8 s GLN 851 Ca -0.06 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.33 3hs8 s GLN 851 Cb -0.15 -1.80 0.02 0.00 1.10 0.00 0.00 33.01 32.18 3hs8 s GLN 851 CO -0.02 0.47 -0.00 1.21 -0.55 0.00 0.00 175.29 176.40 3hs8 s ASN 852 N -1.13 0.28 -0.17 6.67 2.47 0.31 -5.00 114.94 118.36 3hs8 s ASN 852 Ca 0.10 -0.02 -0.00 0.00 0.42 0.00 0.00 52.86 53.36 3hs8 s ASN 852 Cb -0.09 -0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.59 3hs8 s ASN 852 CO 0.02 -0.05 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.57 3hs8 s ILE 853 N 0.59 2.66 0.07 -5.21 1.01 -1.26 -0.99 121.20 118.07 3hs8 s ILE 853 Ca -0.06 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 3hs8 s ILE 853 Cb -0.08 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3hs8 s ILE 853 CO -0.01 0.50 0.34 0.72 0.00 0.00 0.00 174.94 176.49 3hs8 s PHE 854 N 1.05 -0.14 0.13 3.97 -0.12 -0.32 -5.00 117.98 117.56 3hs8 s PHE 854 Ca -0.01 -0.04 -0.28 0.00 -0.05 0.00 0.00 56.93 56.54 3hs8 s PHE 854 Cb -0.15 0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.32 3hs8 s PHE 854 CO -0.04 -0.57 0.89 0.21 -0.05 0.00 0.00 175.22 175.67 3hs8 s LYS 855 N -2.94 4.67 0.34 1.99 2.47 -1.26 -0.31 119.74 124.71 3hs8 s LYS 855 Ca -0.02 1.34 -0.29 0.00 -1.56 0.00 0.00 55.97 55.45 3hs8 s LYS 855 Cb 0.00 -3.34 -0.11 0.00 -1.46 0.00 0.00 37.83 32.93 3hs8 s LYS 855 CO -0.06 0.33 1.37 0.00 0.16 0.00 0.00 175.35 177.15 3hs8 s ALA 856 N -0.37 3.53 -0.19 3.13 0.00 -0.16 -4.90 121.76 122.80 3hs8 s ALA 856 Ca 0.43 1.36 0.19 0.00 0.00 0.00 0.00 51.96 53.94 3hs8 s ALA 856 Cb -0.23 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3hs8 s ALA 856 CO 0.28 -0.78 1.02 0.87 0.00 0.00 0.00 175.76 177.16 3hs8 h LYS 857 N 3.35 0.00 -5.65 0.00 1.57 -1.77 -3.49 116.57 110.58 3hs8 h LYS 857 Ca -0.49 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.73 3hs8 h LYS 857 Cb 1.23 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 3hs8 h LYS 857 CO 0.66 0.17 -0.66 -1.01 -0.57 0.00 0.00 179.45 178.04 3hs8 s HIS 858 N -3.12 2.20 0.51 -1.35 3.76 -0.33 -5.09 115.29 111.87 3hs8 s HIS 858 Ca -0.01 -0.65 -0.21 0.00 -0.15 0.00 0.00 55.06 54.04 3hs8 s HIS 858 Cb 0.09 -1.34 -0.09 0.00 1.11 0.00 0.00 32.58 32.35 3hs8 s HIS 858 CO 0.79 0.38 0.85 -2.30 -0.85 0.00 0.00 174.74 173.61 3hs8 n PRO 859 N -0.73 0.96 -1.55 8.40 -0.02 -1.26 -4.80 135.00 136.00 3hs8 n PRO 859 Ca -0.05 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3hs8 n PRO 859 Cb 0.64 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3hs8 n PRO 859 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3hs8 n MET 860 N -0.22 2.45 -3.70 -0.52 2.81 -1.26 -4.89 117.12 111.79 3hs8 n MET 860 Ca 0.11 -2.37 -0.38 0.00 -1.81 0.00 0.00 57.70 53.25 3hs8 n MET 860 Cb 0.43 -3.17 -0.12 0.00 -0.71 0.00 0.00 33.22 29.65 3hs8 n MET 860 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hs8 s ASP 861 N 3.74 5.40 0.08 7.83 -1.08 -1.26 -4.99 116.67 126.39 3hs8 s ASP 861 Ca 0.50 -0.85 -0.24 0.00 -0.52 0.00 0.00 52.55 51.44 3hs8 s ASP 861 Cb 0.14 -1.94 -0.16 0.00 -1.46 0.00 0.00 42.92 39.51 3hs8 s ASP 861 CO -0.03 -0.27 1.70 0.74 0.52 0.00 0.00 175.17 177.82 3hs8 h THR 862 N 5.91 0.94 -0.37 1.71 2.02 -1.99 0.09 112.91 121.21 3hs8 h THR 862 Ca -0.28 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 3hs8 h THR 862 Cb 1.11 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3hs8 h THR 862 CO 0.62 0.02 -0.12 -0.33 0.37 0.00 0.00 175.52 176.07 3hs8 h GLU 863 N -0.13 0.66 -0.43 6.66 4.39 -2.00 -1.10 114.58 122.63 3hs8 h GLU 863 Ca -0.01 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 3hs8 h GLU 863 Cb 0.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hs8 h GLU 863 CO 0.02 0.77 -0.11 0.82 -1.16 0.00 0.00 179.01 179.35 3hs8 h ILE 864 N 0.60 1.27 -0.29 3.13 1.08 -1.91 -2.07 117.51 119.32 3hs8 h ILE 864 Ca 0.10 -1.21 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 3hs8 h ILE 864 Cb 0.56 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 3hs8 h ILE 864 CO 0.04 0.41 0.14 0.74 -0.69 0.00 0.00 178.15 178.79 3hs8 h THR 865 N 0.66 0.98 -0.31 -0.27 2.02 -0.59 -0.52 112.91 114.89 3hs8 h THR 865 Ca 0.11 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3hs8 h THR 865 Cb 0.64 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 3hs8 h THR 865 CO 0.04 0.05 -0.22 0.11 0.37 0.00 0.00 175.52 175.88 3hs8 h LYS 866 N 0.29 -0.18 -0.72 6.66 1.57 -1.18 -1.54 116.57 121.47 3hs8 h LYS 866 Ca 0.12 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3hs8 h LYS 866 Cb 0.05 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3hs8 h LYS 866 CO -0.09 -0.12 0.47 0.00 -0.57 0.00 0.00 179.45 179.14 3hs8 h ALA 867 N 0.95 1.62 -0.41 3.86 0.00 -0.98 -1.58 119.26 122.73 3hs8 h ALA 867 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hs8 h ALA 867 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hs8 h ALA 867 CO -0.42 0.30 0.21 0.87 0.00 0.00 0.00 179.25 180.21 3hs8 h LYS 868 N 0.84 0.58 -0.68 0.00 1.57 -0.60 0.12 116.57 118.39 3hs8 h LYS 868 Ca 0.29 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3hs8 h LYS 868 Cb 0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3hs8 h LYS 868 CO -0.09 0.49 0.31 0.82 -0.57 0.00 0.00 179.45 180.41 3hs8 h ILE 869 N 0.52 1.23 -0.22 1.86 2.04 -0.87 0.56 117.51 122.63 3hs8 h ILE 869 Ca 0.14 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 3hs8 h ILE 869 Cb 0.09 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hs8 h ILE 869 CO -0.02 0.28 -0.12 0.40 0.00 0.00 0.00 178.15 178.69 3hs8 h ILE 870 N 0.96 1.31 0.00 -0.67 2.04 -1.12 -2.83 117.51 117.21 3hs8 h ILE 870 Ca 0.23 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3hs8 h ILE 870 Cb 0.16 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3hs8 h ILE 870 CO -0.03 0.37 -0.17 1.23 0.00 0.00 0.00 178.15 179.55 3hs8 h GLY 871 N 0.18 0.00 1.98 5.37 0.00 -0.55 -1.41 103.07 108.65 3hs8 h GLY 871 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 3hs8 h GLY 871 CO 0.04 0.00 -0.18 -2.75 0.00 0.00 0.00 176.54 173.65 3hs8 h PHE 872 N 0.00 0.03 0.00 5.60 3.57 -0.76 -3.40 116.94 121.98 3hs8 h PHE 872 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hs8 h PHE 872 Cb 0.41 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3hs8 h PHE 872 CO 0.00 0.21 0.00 0.41 -2.23 0.00 0.00 178.31 176.70 3hs8 n GLY 873 N -0.98 1.23 3.85 2.40 0.00 -0.53 -4.68 105.19 106.46 3hs8 n GLY 873 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hs8 n GLY 873 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hs8 s SER 874 N -0.92 6.71 0.55 1.61 0.15 -1.08 -1.47 113.70 119.25 3hs8 s SER 874 Ca 0.00 1.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.92 3hs8 s SER 874 Cb 0.00 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 3hs8 s SER 874 CO 0.00 -0.41 1.04 0.00 1.20 0.00 0.00 173.24 175.07 3hs8 s ALA 875 N -2.32 2.84 -0.26 5.45 0.00 0.00 -4.24 121.76 123.23 3hs8 s ALA 875 Ca 0.57 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 3hs8 s ALA 875 Cb -0.10 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 3hs8 s ALA 875 CO 0.24 -0.57 0.03 -1.17 0.00 0.00 0.00 175.76 174.29 3hs8 s LEU 876 N -4.17 3.44 -0.37 0.00 2.96 -1.26 -2.76 118.68 116.53 3hs8 s LEU 876 Ca 0.63 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 3hs8 s LEU 876 Cb -0.15 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3hs8 s LEU 876 CO 0.32 -0.11 0.25 -0.76 -1.32 0.00 0.00 176.35 174.72 3hs8 s LEU 877 N 1.49 4.72 0.18 -0.68 1.43 0.57 -5.01 118.68 121.38 3hs8 s LEU 877 Ca 0.04 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.25 3hs8 s LEU 877 Cb -0.16 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 3hs8 s LEU 877 CO 0.00 -0.33 0.70 -1.61 0.23 0.00 0.00 176.35 175.34 3hs8 s GLU 878 N 1.67 4.29 -1.44 1.70 0.41 -1.26 -4.16 118.70 119.92 3hs8 s GLU 878 Ca 0.05 0.88 -0.00 0.00 -0.41 0.00 0.00 54.97 55.49 3hs8 s GLU 878 Cb -0.18 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3hs8 s GLU 878 CO 0.09 0.48 0.01 0.39 -0.49 0.00 0.00 175.26 175.74 3hs8 n GLU 879 N 1.07 -1.40 -0.11 1.61 1.02 -1.26 -4.89 120.64 116.68 3hs8 n GLU 879 Ca -0.05 0.81 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 3hs8 n GLU 879 Cb 0.51 -5.25 -0.07 0.00 -0.02 0.00 0.00 31.44 26.60 3hs8 n GLU 879 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hs8 n VAL 880 N -4.02 1.51 -2.54 2.62 0.31 -1.26 -4.79 118.33 110.15 3hs8 n VAL 880 Ca -0.20 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 3hs8 n VAL 880 Cb 0.65 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 3hs8 n VAL 880 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hs8 s ASP 881 N -6.72 7.09 0.15 4.52 -1.08 -1.26 -4.90 116.67 114.46 3hs8 s ASP 881 Ca -0.32 1.65 0.18 0.00 -0.52 0.00 0.00 52.55 53.54 3hs8 s ASP 881 Cb 0.09 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.79 3hs8 s ASP 881 CO 0.46 -0.60 1.56 -0.81 0.52 0.00 0.00 175.17 176.30 3hs8 n PRO 882 N 5.63 0.10 -2.78 4.34 -0.04 -1.26 -4.26 135.00 136.73 3hs8 n PRO 882 Ca 0.11 0.38 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 3hs8 n PRO 882 Cb 0.46 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 3hs8 n PRO 882 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3hs8 s ASN 883 N -3.66 6.63 0.53 3.54 3.84 -1.26 -4.92 114.94 119.64 3hs8 s ASN 883 Ca 0.04 0.45 0.35 0.00 0.21 0.00 0.00 52.86 53.91 3hs8 s ASN 883 Cb 0.08 -2.47 1.59 0.00 -0.55 0.00 0.00 41.25 39.91 3hs8 s ASN 883 CO 0.30 -0.97 2.04 1.55 -2.79 0.00 0.00 177.10 177.23 3hs8 h PRO 884 N 8.73 0.00 0.00 0.43 0.13 -2.02 -2.58 132.00 136.68 3hs8 h PRO 884 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3hs8 h PRO 884 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3hs8 h PRO 884 CO 1.02 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 178.53 3hs8 h ALA 885 N 2.03 1.30 -2.21 -0.56 0.00 -1.92 -3.46 119.26 114.45 3hs8 h ALA 885 Ca 0.00 -0.23 -0.47 0.00 0.00 0.00 0.00 54.91 54.21 3hs8 h ALA 885 Cb 0.33 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hs8 h ALA 885 CO 0.00 0.31 0.06 -0.80 0.00 0.00 0.00 179.25 178.82 3hs8 s ASN 886 N -6.53 5.82 -0.02 0.00 0.01 -0.98 -4.62 114.94 108.62 3hs8 s ASN 886 Ca -0.02 0.59 0.07 0.00 -0.71 0.00 0.00 52.86 52.79 3hs8 s ASN 886 Cb 0.13 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 40.02 3hs8 s ASN 886 CO 0.66 -0.82 -0.24 -0.36 -1.51 0.00 0.00 177.10 174.83 3hs8 s PHE 887 N -2.77 2.17 -0.04 2.20 0.08 0.01 -4.95 117.98 114.68 3hs8 s PHE 887 Ca 0.50 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.16 3hs8 s PHE 887 Cb -0.10 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 3hs8 s PHE 887 CO 0.42 -0.05 -0.15 0.08 -0.10 0.00 0.00 175.22 175.42 3hs8 s VAL 888 N -0.53 1.24 0.20 -0.44 1.01 -1.26 -0.75 120.40 119.87 3hs8 s VAL 888 Ca 0.08 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3hs8 s VAL 888 Cb -0.10 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3hs8 s VAL 888 CO -0.01 0.36 -0.06 -0.83 0.00 0.00 0.00 175.10 174.57 3hs8 s GLY 889 N 0.11 1.37 -0.14 4.51 0.00 -0.38 -0.31 107.32 112.47 3hs8 s GLY 889 Ca -0.04 -1.66 -0.19 0.00 0.00 0.00 0.00 44.72 42.83 3hs8 s GLY 889 CO 0.02 -1.66 0.50 0.00 0.00 0.00 0.00 173.10 171.96 3hs8 s ALA 890 N -3.32 -1.25 0.00 3.20 0.00 -1.11 -1.48 121.76 117.80 3hs8 s ALA 890 Ca 0.23 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3hs8 s ALA 890 Cb 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3hs8 s ALA 890 CO 0.06 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3hs8 n GLY 891 N 2.27 1.51 3.07 0.00 0.00 -0.21 -0.82 105.19 111.02 3hs8 n GLY 891 Ca -0.16 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3hs8 n GLY 891 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs8 s ILE 892 N -2.65 1.18 -0.22 -0.61 1.01 0.34 -0.55 121.20 119.69 3hs8 s ILE 892 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3hs8 s ILE 892 Cb 0.00 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3hs8 s ILE 892 CO 0.00 0.35 0.65 -0.63 0.00 0.00 0.00 174.94 175.31 3hs8 s ILE 893 N 0.27 4.99 -0.21 2.92 -1.09 0.22 -0.65 121.20 127.65 3hs8 s ILE 893 Ca -0.07 1.20 -0.16 0.00 -2.23 0.00 0.00 60.65 59.39 3hs8 s ILE 893 Cb -0.12 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 3hs8 s ILE 893 CO 0.02 0.06 0.41 -1.00 -1.23 0.00 0.00 174.94 173.20 3hs8 s HIS 894 N 2.24 3.37 0.48 3.97 3.76 -0.10 -0.41 115.29 128.59 3hs8 s HIS 894 Ca 0.28 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 3hs8 s HIS 894 Cb -0.16 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.98 3hs8 s HIS 894 CO 0.09 -0.03 0.05 0.95 -0.85 0.00 0.00 174.74 174.95 3hs8 s THR 895 N 1.38 0.93 0.44 1.30 -4.23 -0.21 -4.24 115.64 111.01 3hs8 s THR 895 Ca 0.19 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.82 3hs8 s THR 895 Cb -0.15 -2.20 0.22 0.00 1.34 0.00 0.00 72.50 71.72 3hs8 s THR 895 CO 0.08 0.00 2.03 0.50 -0.54 0.00 0.00 174.62 176.70 3hs8 h LYS 896 N 1.48 0.20 0.00 3.99 3.64 -1.30 -3.31 116.57 121.28 3hs8 h LYS 896 Ca -0.41 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3hs8 h LYS 896 Cb 1.30 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3hs8 h LYS 896 CO 0.68 0.22 0.00 0.25 -2.27 0.00 0.00 179.45 178.33 3hs8 n THR 897 N -4.41 0.00 -3.55 1.00 -2.24 -1.26 -5.05 114.28 98.77 3hs8 n THR 897 Ca -0.01 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 3hs8 n THR 897 Cb 0.16 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 3hs8 n THR 897 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hs8 s THR 898 N -0.54 0.03 -0.13 4.28 -1.32 -1.25 -5.13 115.64 111.59 3hs8 s THR 898 Ca 0.00 -0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 60.17 3hs8 s THR 898 Cb 0.00 -1.05 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 3hs8 s THR 898 CO 0.00 -0.16 -0.02 -1.10 -2.21 0.00 0.00 174.62 171.14 3hs8 s GLN 899 N -3.30 3.39 -0.26 7.08 -0.21 -1.26 -1.04 119.66 124.06 3hs8 s GLN 899 Ca -0.01 -0.47 -0.03 0.00 0.02 0.00 0.00 55.36 54.87 3hs8 s GLN 899 Cb 0.00 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.16 3hs8 s GLN 899 CO -0.09 0.44 -0.02 0.42 -2.12 0.00 0.00 175.29 173.93 3hs8 s ILE 900 N -0.16 3.22 0.15 1.08 1.01 0.45 -4.93 121.20 122.02 3hs8 s ILE 900 Ca 0.04 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 3hs8 s ILE 900 Cb -0.13 -2.65 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 3hs8 s ILE 900 CO 0.02 0.15 1.46 -0.83 0.00 0.00 0.00 174.94 175.74 3hs8 s GLY 901 N 1.38 1.86 -0.07 6.18 0.00 -1.26 -0.61 107.32 114.79 3hs8 s GLY 901 Ca 0.01 1.23 0.02 0.00 0.00 0.00 0.00 44.72 45.97 3hs8 s GLY 901 CO -0.02 2.44 -0.12 0.00 0.00 0.00 0.00 173.10 175.40 3hs8 s LEU 903 N 0.83 2.29 -0.00 0.00 1.43 0.20 -1.04 118.68 122.38 3hs8 s LEU 903 Ca -0.12 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.16 3hs8 s LEU 903 Cb -0.15 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.86 3hs8 s LEU 903 CO 0.02 0.19 0.21 -1.48 0.23 0.00 0.00 176.35 175.51 3hs8 s LEU 904 N -1.91 1.27 -0.06 1.79 0.05 -0.55 -0.70 118.68 118.58 3hs8 s LEU 904 Ca 0.13 -0.10 0.01 0.00 0.05 0.00 0.00 54.13 54.22 3hs8 s LEU 904 Cb -0.10 0.92 0.02 0.00 -2.05 0.00 0.00 46.19 44.98 3hs8 s LEU 904 CO 0.05 -0.41 -0.07 -0.60 -0.55 0.00 0.00 176.35 174.78 3hs8 s ARG 905 N -1.40 1.16 -0.18 1.48 3.52 0.08 -1.25 118.95 122.35 3hs8 s ARG 905 Ca -0.14 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3hs8 s ARG 905 Cb -0.06 -1.11 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 3hs8 s ARG 905 CO 0.02 -0.09 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.12 3hs8 s LEU 906 N 1.01 2.46 -0.30 -0.88 2.96 0.07 -0.73 118.68 123.27 3hs8 s LEU 906 Ca -0.09 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 3hs8 s LEU 906 Cb -0.14 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.04 3hs8 s LEU 906 CO -0.00 0.04 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.44 3hs8 s GLU 907 N 1.09 2.05 0.42 1.98 2.02 0.45 -0.81 118.70 125.90 3hs8 s GLU 907 Ca -0.00 -1.51 -0.21 0.00 0.02 0.00 0.00 54.97 53.26 3hs8 s GLU 907 Cb -0.14 -3.08 -0.11 0.00 0.10 0.00 0.00 34.13 30.89 3hs8 s GLU 907 CO -0.04 -0.72 0.95 -1.25 0.02 0.00 0.00 175.26 174.22 3hs8 s PRO 908 N 1.08 4.25 -0.31 0.39 0.04 -1.26 -1.00 135.00 138.20 3hs8 s PRO 908 Ca -0.02 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.19 3hs8 s PRO 908 Cb -0.20 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.20 3hs8 s PRO 908 CO -0.05 -0.01 -0.02 1.21 0.04 0.00 0.00 177.00 178.18 3hs8 s ASN 909 N -2.14 4.64 0.16 6.66 3.84 0.11 -4.96 114.94 123.25 3hs8 s ASN 909 Ca 0.61 -1.83 -0.12 0.00 0.21 0.00 0.00 52.86 51.73 3hs8 s ASN 909 Cb -0.10 -1.60 0.03 0.00 -0.55 0.00 0.00 41.25 39.03 3hs8 s ASN 909 CO 0.14 -0.30 1.61 0.25 -2.79 0.00 0.00 177.10 176.01 3hs8 h LEU 910 N 7.68 0.88 -0.58 3.21 5.85 -1.97 -0.08 115.31 130.30 3hs8 h LEU 910 Ca -0.10 -0.30 -0.16 0.00 0.84 0.00 0.00 57.88 58.16 3hs8 h LEU 910 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hs8 h LEU 910 CO 0.50 0.96 -0.65 1.56 -0.34 0.00 0.00 178.44 180.47 3hs8 h GLN 911 N 0.77 0.25 0.00 1.25 7.50 -1.95 -3.02 115.11 119.91 3hs8 h GLN 911 Ca 0.15 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3hs8 h GLN 911 Cb 0.50 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.06 3hs8 h GLN 911 CO 0.02 0.81 -0.65 0.00 -1.50 0.00 0.00 178.83 177.52 3hs8 n ALA 912 N -2.47 3.88 -3.73 3.87 0.00 -1.18 -4.97 120.51 115.91 3hs8 n ALA 912 Ca -0.03 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 3hs8 n ALA 912 Cb 0.65 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 19.12 3hs8 n ALA 912 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hs8 n GLN 913 N -1.51 -5.36 -4.41 0.00 6.02 -0.08 -4.92 117.38 107.13 3hs8 n GLN 913 Ca 0.05 0.64 -0.25 0.00 -0.01 0.00 0.00 57.00 57.43 3hs8 n GLN 913 Cb 0.34 -5.34 -0.11 0.00 1.02 0.00 0.00 30.24 26.14 3hs8 n GLN 913 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hs8 s MET 914 N -6.11 1.48 0.10 -1.09 -1.94 -0.97 -0.99 119.30 109.78 3hs8 s MET 914 Ca 0.20 -1.53 0.08 0.00 -1.71 0.00 0.00 55.69 52.73 3hs8 s MET 914 Cb -0.10 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 3hs8 s MET 914 CO 0.81 0.36 -0.21 0.71 -0.01 0.00 0.00 175.02 176.68 3hs8 s TYR 915 N -1.84 1.80 -0.23 -0.03 2.02 0.58 0.09 117.35 119.74 3hs8 s TYR 915 Ca 0.21 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 3hs8 s TYR 915 Cb -0.07 -1.00 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3hs8 s TYR 915 CO 0.10 0.20 -0.03 0.50 -1.57 0.00 0.00 175.55 174.75 3hs8 s ARG 916 N -1.83 3.27 -0.14 -0.62 3.52 -0.17 -1.17 118.95 121.80 3hs8 s ARG 916 Ca 0.07 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 3hs8 s ARG 916 Cb -0.10 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3hs8 s ARG 916 CO 0.04 -0.26 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.05 3hs8 s LEU 917 N 1.46 3.19 -0.07 -0.88 2.96 -0.16 -0.41 118.68 124.76 3hs8 s LEU 917 Ca 0.05 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3hs8 s LEU 917 Cb -0.15 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3hs8 s LEU 917 CO -0.03 0.19 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.16 3hs8 s THR 918 N 0.25 1.30 -0.14 3.68 2.01 0.09 -0.53 115.64 122.30 3hs8 s THR 918 Ca -0.04 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.39 3hs8 s THR 918 Cb -0.14 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.22 3hs8 s THR 918 CO 0.03 0.39 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.44 3hs8 s LEU 919 N 0.56 1.73 -0.19 4.42 1.02 -0.00 -0.74 118.68 125.48 3hs8 s LEU 919 Ca -0.15 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.50 3hs8 s LEU 919 Cb -0.16 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.87 3hs8 s LEU 919 CO 0.04 -0.03 -0.09 -0.13 0.02 0.00 0.00 176.35 176.17 3hs8 s ARG 920 N 1.30 3.34 0.10 1.70 0.52 0.13 -1.53 118.95 124.51 3hs8 s ARG 920 Ca 0.01 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 3hs8 s ARG 920 Cb -0.14 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 3hs8 s ARG 920 CO -0.08 -0.07 0.15 0.95 0.02 0.00 0.00 175.30 176.27 3hs8 s THR 921 N 1.10 0.14 -1.73 0.02 -4.23 -0.85 -0.63 115.64 109.46 3hs8 s THR 921 Ca 0.01 -1.45 0.24 0.00 -1.18 0.00 0.00 61.69 59.31 3hs8 s THR 921 Cb -0.15 -1.57 0.57 0.00 1.34 0.00 0.00 72.50 72.69 3hs8 s THR 921 CO -0.02 -0.63 1.81 -1.54 -0.54 0.00 0.00 174.62 173.70 3hs8 n SER 922 N -0.06 0.00 -3.93 3.99 3.41 -1.25 -4.52 113.62 111.26 3hs8 n SER 922 Ca -0.12 -0.43 -0.28 0.00 -0.26 0.00 0.00 58.87 57.78 3hs8 n SER 922 Cb 0.62 -0.14 -0.17 0.00 -0.26 0.00 0.00 64.21 64.27 3hs8 n SER 922 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hs8 s LYS 923 N -2.27 1.70 0.23 4.33 2.20 -1.26 -4.98 119.74 119.68 3hs8 s LYS 923 Ca 0.30 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.51 3hs8 s LYS 923 Cb 0.16 -1.73 0.39 0.00 -1.51 0.00 0.00 37.83 35.15 3hs8 s LYS 923 CO 0.32 -0.27 1.72 0.38 -0.36 0.00 0.00 175.35 177.14 3hs8 h ASP 924 N 8.15 0.15 0.12 1.43 2.03 -1.81 -0.85 116.42 125.64 3hs8 h ASP 924 Ca -0.31 0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.03 3hs8 h ASP 924 Cb 1.13 0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 3hs8 h ASP 924 CO 0.43 0.06 -0.24 0.71 -1.03 0.00 0.00 179.24 179.17 3hs8 h THR 925 N 0.36 1.23 -0.18 1.15 1.35 -1.96 -1.14 112.91 113.72 3hs8 h THR 925 Ca 0.37 -1.05 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 3hs8 h THR 925 Cb 0.57 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3hs8 h THR 925 CO -0.41 0.32 -0.14 0.58 -0.25 0.00 0.00 175.52 175.62 3hs8 h VAL 926 N 0.20 1.33 -0.68 6.82 2.07 -1.62 -1.93 116.25 122.44 3hs8 h VAL 926 Ca 0.03 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3hs8 h VAL 926 Cb 0.53 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 3hs8 h VAL 926 CO 0.04 0.38 0.34 0.28 0.02 0.00 0.00 177.57 178.63 3hs8 h SER 927 N 0.08 0.45 0.36 0.57 0.02 -0.80 -0.45 113.55 113.78 3hs8 h SER 927 Ca 0.03 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3hs8 h SER 927 Cb 0.66 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3hs8 h SER 927 CO 0.04 0.27 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.22 3hs8 h GLN 928 N 0.60 -0.46 -0.43 3.45 5.75 -1.23 -1.72 115.11 121.07 3hs8 h GLN 928 Ca 0.33 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.83 3hs8 h GLN 928 Cb 0.32 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3hs8 h GLN 928 CO -0.25 -0.20 0.15 -0.09 -2.65 0.00 0.00 178.83 175.79 3hs8 h ARG 929 N -0.68 0.66 -0.74 1.69 9.65 -1.21 -0.51 114.38 123.25 3hs8 h ARG 929 Ca -0.05 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.66 3hs8 h ARG 929 Cb 0.48 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3hs8 h ARG 929 CO 0.08 0.63 0.34 -0.07 2.80 0.00 0.00 179.97 183.75 3hs8 h LEU 930 N 0.55 0.98 -0.61 3.80 3.38 -1.13 -1.22 115.31 121.06 3hs8 h LEU 930 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hs8 h LEU 930 Cb 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3hs8 h LEU 930 CO -0.01 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.55 3hs8 h GLU 932 N 0.87 0.35 -0.14 0.00 4.11 -0.76 -0.10 114.58 118.91 3hs8 h GLU 932 Ca 0.19 -0.25 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 3hs8 h GLU 932 Cb 0.31 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hs8 h GLU 932 CO -0.00 0.86 -0.04 -0.07 0.07 0.00 0.00 179.01 179.83 3hs8 h LEU 933 N 0.26 0.29 -0.28 3.06 3.38 -1.08 -3.20 115.31 117.73 3hs8 h LEU 933 Ca -0.01 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 3hs8 h LEU 933 Cb 1.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hs8 h LEU 933 CO 0.10 0.60 -0.58 0.25 0.09 0.00 0.00 178.44 178.90 3hs8 h LEU 934 N -0.03 0.97 -1.69 1.67 5.85 -0.93 -3.08 115.31 118.07 3hs8 h LEU 934 Ca 0.04 -0.54 0.22 0.00 0.84 0.00 0.00 57.88 58.44 3hs8 h LEU 934 Cb 0.47 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3hs8 h LEU 934 CO 0.02 1.34 0.60 0.28 -0.34 0.00 0.00 178.44 180.33 3hs8 h SER 935 N 0.66 0.25 0.82 1.25 0.02 -1.08 -2.14 113.55 113.32 3hs8 h SER 935 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hs8 h SER 935 Cb 1.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3hs8 h SER 935 CO 0.13 0.10 0.00 1.21 -1.14 0.00 0.00 176.83 177.12 3hs8 n GLU 936 N -4.43 0.10 0.01 3.45 4.07 -1.16 -3.52 120.64 119.15 3hs8 n GLU 936 Ca 0.19 0.04 0.12 0.00 -0.06 0.00 0.00 57.16 57.44 3hs8 n GLU 936 Cb 0.78 -1.50 0.18 0.00 -0.06 0.00 0.00 31.44 30.85 3hs8 n GLU 936 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3hs8 n GLN 937 N -1.45 0.05 0.00 5.31 1.13 -0.81 -5.01 117.38 116.60 3hs8 n GLN 937 Ca 0.08 0.01 0.03 0.00 -1.94 0.00 0.00 57.00 55.17 3hs8 n GLN 937 Cb 0.29 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 29.14 3hs8 n GLN 937 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81