#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2m h PRO 701 N 0.00 0.37 0.11 1.61 0.11 -2.05 -2.06 132.00 130.09 2x2m h PRO 701 Ca 0.00 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 2x2m h PRO 701 Cb 0.00 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.04 2x2m h PRO 701 CO 0.00 0.24 -0.87 1.25 -0.21 0.00 0.00 178.00 178.41 2x2m h LEU 702 N 0.38 0.37 -0.53 2.35 5.85 -1.99 -1.56 115.31 120.19 2x2m h LEU 702 Ca 0.52 -0.92 0.10 0.00 0.84 0.00 0.00 57.88 58.42 2x2m h LEU 702 Cb 1.35 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 2x2m h LEU 702 CO -0.21 1.40 0.06 0.77 -0.34 0.00 0.00 178.44 180.12 2x2m h SER 703 N -0.46 -0.11 -0.31 1.25 4.64 -1.95 0.31 113.55 116.93 2x2m h SER 703 Ca -0.17 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2x2m h SER 703 Cb 1.58 0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 2x2m h SER 703 CO 0.10 -0.03 0.04 -0.07 -0.87 0.00 0.00 176.83 176.00 2x2m h LEU 704 N 0.18 -0.04 -1.40 5.97 3.38 -1.41 -1.31 115.31 120.68 2x2m h LEU 704 Ca 0.27 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2x2m h LEU 704 Cb 0.40 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2x2m h LEU 704 CO -0.40 0.02 -0.15 0.28 0.09 0.00 0.00 178.44 178.28 2x2m h SER 705 N 0.14 0.20 -0.03 -0.43 0.02 -0.41 -0.59 113.55 112.45 2x2m h SER 705 Ca 0.15 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2x2m h SER 705 Cb 0.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2x2m h SER 705 CO -0.21 0.38 -0.14 0.58 -1.14 0.00 0.00 176.83 176.29 2x2m h VAL 706 N 0.20 1.48 -0.34 2.27 2.07 -0.02 -2.00 116.25 119.91 2x2m h VAL 706 Ca 0.04 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.98 2x2m h VAL 706 Cb 0.39 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2x2m h VAL 706 CO 0.02 0.44 0.18 -0.78 0.02 0.00 0.00 177.57 177.45 2x2m h ASP 707 N -0.42 0.28 -0.94 0.57 3.58 -1.20 -0.86 116.42 117.42 2x2m h ASP 707 Ca -0.01 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2x2m h ASP 707 Cb 0.79 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 2x2m h ASP 707 CO 0.03 0.21 0.60 0.00 -2.88 0.00 0.00 179.24 177.19 2x2m h ALA 708 N 1.17 1.29 -0.00 -0.78 0.00 -1.15 -2.48 119.26 117.31 2x2m h ALA 708 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x2m h ALA 708 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2x2m h ALA 708 CO -0.09 0.39 -0.01 0.35 0.00 0.00 0.00 179.25 179.89 2x2m h PHE 709 N 1.10 0.01 0.00 0.00 3.57 -1.20 -3.23 116.94 117.19 2x2m h PHE 709 Ca 0.40 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 2x2m h PHE 709 Cb 0.15 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2x2m h PHE 709 CO -0.01 0.66 -0.02 0.87 -2.23 0.00 0.00 178.31 177.58 2x2m h LYS 710 N -0.65 0.00 -0.66 1.11 1.79 -1.08 -1.52 116.57 115.57 2x2m h LYS 710 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2x2m h LYS 710 Cb 0.66 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2x2m h LYS 710 CO 0.00 0.02 0.02 0.44 -1.08 0.00 0.00 179.45 178.85 2x2m n ILE 711 N -3.27 2.38 -1.73 1.86 -6.64 -0.94 -5.10 119.36 105.92 2x2m n ILE 711 Ca -0.02 -1.21 0.00 0.00 -1.77 0.00 0.00 62.75 59.75 2x2m n ILE 711 Cb 0.13 -0.32 0.00 0.00 -1.44 0.00 0.00 39.64 38.01 2x2m n ILE 711 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2x2m n LEU 712 N 0.47 0.00 -4.63 7.28 7.94 -0.57 -5.05 117.00 122.44 2x2m n LEU 712 Ca 0.25 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.72 2x2m n LEU 712 Cb 1.08 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 45.01 2x2m n LEU 712 CO 0.29 0.00 0.97 -1.81 -1.11 0.00 0.00 177.39 175.73 2x2m s ASP 714 N 0.21 6.90 0.00 1.96 -0.00 -1.26 -5.11 116.67 119.36 2x2m s ASP 714 Ca 0.00 0.98 0.07 0.00 -0.00 0.00 0.00 52.55 53.61 2x2m s ASP 714 Cb 0.00 -2.54 0.32 0.00 -0.00 0.00 0.00 42.92 40.70 2x2m s ASP 714 CO 0.00 -0.92 1.23 -0.81 -0.00 0.00 0.00 175.17 174.67 2x2m n PRO 715 N 6.99 0.00 -0.22 8.23 -0.04 -1.26 -1.44 135.00 147.26 2x2m n PRO 715 Ca 0.12 0.37 -0.02 0.00 -0.04 0.00 0.00 63.50 63.93 2x2m n PRO 715 Cb 0.47 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.52 2x2m n PRO 715 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2x2m h LYS 716 N 0.00 0.63 0.00 0.54 3.64 -2.02 -3.31 116.57 116.05 2x2m h LYS 716 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2x2m h LYS 716 Cb 0.13 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2x2m h LYS 716 CO 0.00 0.41 -0.95 0.91 -2.27 0.00 0.00 179.45 177.55 2x2m n TRP 717 N -4.81 0.00 -2.32 1.91 7.02 -0.52 -4.96 117.44 113.76 2x2m n TRP 717 Ca 0.08 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.15 2x2m n TRP 717 Cb 0.17 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 28.94 2x2m n TRP 717 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2x2m s GLU 718 N -2.57 4.50 -0.04 -0.99 2.56 -1.02 -0.35 118.70 120.79 2x2m s GLU 718 Ca 0.03 1.97 0.03 0.00 0.00 0.00 0.00 54.97 56.99 2x2m s GLU 718 Cb 0.11 -3.17 0.01 0.00 2.00 0.00 0.00 34.13 33.08 2x2m s GLU 718 CO 0.62 -0.02 -0.10 0.12 -0.56 0.00 0.00 175.26 175.31 2x2m s PHE 719 N -0.78 1.13 0.04 5.30 5.36 -0.12 -4.81 117.98 124.11 2x2m s PHE 719 Ca 0.49 -0.32 -0.31 0.00 -0.96 0.00 0.00 56.93 55.83 2x2m s PHE 719 Cb -0.35 -0.82 -0.07 0.00 -0.34 0.00 0.00 43.02 41.45 2x2m s PHE 719 CO 0.43 -0.15 1.47 -2.14 -1.46 0.00 0.00 175.22 173.38 2x2m s PRO 720 N 0.32 4.26 0.44 10.12 0.02 -1.26 -4.48 135.00 144.43 2x2m s PRO 720 Ca -0.06 2.10 0.22 0.00 0.02 0.00 0.00 61.00 63.27 2x2m s PRO 720 Cb -0.11 -3.51 1.19 0.00 0.02 0.00 0.00 34.50 32.09 2x2m s PRO 720 CO 0.01 -0.60 1.83 -0.09 -0.33 0.00 0.00 177.00 177.82 2x2m h ARG 721 N 7.77 0.29 0.00 5.54 9.65 -1.95 -1.43 114.38 134.26 2x2m h ARG 721 Ca -0.40 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2x2m h ARG 721 Cb 1.19 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2x2m h ARG 721 CO 0.90 0.19 0.00 1.57 2.80 0.00 0.00 179.97 185.44 2x2m h LYS 722 N 0.30 0.00 -0.29 0.20 -0.00 -2.02 -1.96 116.57 112.81 2x2m h LYS 722 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.16 2x2m h LYS 722 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.70 2x2m h LYS 722 CO -0.18 0.00 0.00 0.09 -0.00 0.00 0.00 179.45 179.36 2x2m n ASN 723 N -2.80 1.89 -4.36 7.07 4.13 -0.54 -4.87 115.26 115.78 2x2m n ASN 723 Ca 0.02 -1.88 -0.33 0.00 1.68 0.00 0.00 54.58 54.07 2x2m n ASN 723 Cb 0.34 -0.19 -0.15 0.00 -1.54 0.00 0.00 39.78 38.24 2x2m n ASN 723 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2x2m s LEU 724 N -1.24 2.64 -0.12 3.41 2.96 -0.74 0.45 118.68 126.04 2x2m s LEU 724 Ca 0.28 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2x2m s LEU 724 Cb 0.15 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2x2m s LEU 724 CO 0.21 0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.62 2x2m s VAL 725 N 0.24 1.29 0.16 1.68 1.01 0.47 -4.98 120.40 120.27 2x2m s VAL 725 Ca -0.10 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 2x2m s VAL 725 Cb -0.16 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 2x2m s VAL 725 CO 0.06 0.41 0.56 -0.76 0.00 0.00 0.00 175.10 175.37 2x2m s LEU 726 N 1.45 4.32 0.00 3.92 1.43 -1.26 -0.74 118.68 127.80 2x2m s LEU 726 Ca 0.02 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2x2m s LEU 726 Cb -0.13 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.75 2x2m s LEU 726 CO -0.07 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2x2m n GLY 727 N 0.70 5.29 3.73 -3.19 0.00 0.12 -4.96 105.19 106.89 2x2m n GLY 727 Ca -0.04 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2x2m n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2m s LYS 728 N 4.18 1.79 -0.03 1.61 -2.85 -1.26 -4.50 119.74 118.68 2x2m s LYS 728 Ca 0.00 1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 55.99 2x2m s LYS 728 Cb 0.00 -1.83 -0.03 0.00 -2.06 0.00 0.00 37.83 33.90 2x2m s LYS 728 CO 0.00 -2.01 0.88 0.99 0.10 0.00 0.00 175.35 175.31 2x2m s THR 729 N -2.82 4.93 -0.10 3.79 2.01 -1.26 -1.03 115.64 121.17 2x2m s THR 729 Ca 0.63 1.83 -0.08 0.00 0.31 0.00 0.00 61.69 64.39 2x2m s THR 729 Cb -0.19 -4.22 -0.28 0.00 0.01 0.00 0.00 72.50 67.82 2x2m s THR 729 CO 0.57 0.18 0.46 -0.07 -0.69 0.00 0.00 174.62 175.07 2x2m h LEU 730 N 6.89 0.48 -7.20 4.42 3.38 -1.14 -3.47 115.31 118.67 2x2m h LEU 730 Ca -0.40 -0.95 0.27 0.00 0.09 0.00 0.00 57.88 56.89 2x2m h LEU 730 Cb 1.21 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2x2m h LEU 730 CO 0.76 1.84 0.76 -0.83 0.09 0.00 0.00 178.44 181.05 2x2m s GLY 731 N -5.44 -0.36 -0.10 0.83 0.00 -1.13 -5.02 107.32 96.11 2x2m s GLY 731 Ca -0.20 0.90 0.01 0.00 0.00 0.00 0.00 44.72 45.43 2x2m s GLY 731 CO 0.80 0.24 -0.11 -0.54 0.00 0.00 0.00 173.10 173.49 2x2m s GLU 732 N -2.59 1.72 0.00 2.90 8.01 -1.26 -1.18 118.70 126.31 2x2m s GLU 732 Ca 0.12 -0.37 0.00 0.00 0.01 0.00 0.00 54.97 54.73 2x2m s GLU 732 Cb 0.02 -1.58 0.00 0.00 -4.31 0.00 0.00 34.13 28.26 2x2m s GLU 732 CO -0.04 -0.13 0.00 0.34 0.01 0.00 0.00 175.26 175.45 2x2m n PHE 735 N 4.40 0.00 -3.72 1.61 -0.00 -1.26 -4.84 117.46 113.65 2x2m n PHE 735 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 2x2m n PHE 735 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.99 2x2m n PHE 735 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2x2m n GLY 736 N -0.47 4.59 3.39 7.13 0.00 -1.26 -4.67 105.19 113.90 2x2m n GLY 736 Ca 0.00 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 2x2m n GLY 736 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x2m s LYS 737 N -1.17 1.42 -0.05 1.61 2.20 -0.44 -4.85 119.74 118.46 2x2m s LYS 737 Ca 0.00 -1.44 0.01 0.00 -0.36 0.00 0.00 55.97 54.18 2x2m s LYS 737 Cb 0.00 -1.75 0.02 0.00 -1.51 0.00 0.00 37.83 34.60 2x2m s LYS 737 CO 0.00 0.39 -0.04 0.08 -0.36 0.00 0.00 175.35 175.42 2x2m s VAL 738 N -1.54 0.55 0.10 4.02 1.01 -0.33 -1.52 120.40 122.69 2x2m s VAL 738 Ca 0.17 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2x2m s VAL 738 Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2x2m s VAL 738 CO 0.08 0.24 -0.19 0.68 0.00 0.00 0.00 175.10 175.91 2x2m s VAL 739 N 1.11 2.73 0.36 2.92 -7.23 -0.50 -0.53 120.40 119.25 2x2m s VAL 739 Ca -0.08 -1.46 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 2x2m s VAL 739 Cb -0.14 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 2x2m s VAL 739 CO -0.01 0.16 1.14 -0.75 -0.31 0.00 0.00 175.10 175.33 2x2m s LYS 740 N -1.95 4.28 0.31 4.82 2.20 -0.19 -0.77 119.74 128.43 2x2m s LYS 740 Ca 0.16 1.81 -0.08 0.00 -0.36 0.00 0.00 55.97 57.51 2x2m s LYS 740 Cb -0.10 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2x2m s LYS 740 CO 0.08 -0.11 0.51 0.00 -0.36 0.00 0.00 175.35 175.46 2x2m s ALA 741 N -1.35 0.20 0.00 3.13 0.00 0.59 0.14 121.76 124.47 2x2m s ALA 741 Ca 0.52 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 2x2m s ALA 741 Cb -0.31 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 2x2m s ALA 741 CO 0.39 -0.83 0.00 -0.08 0.00 0.00 0.00 175.76 175.24 2x2m s THR 742 N -3.37 0.02 -0.05 0.00 -1.32 0.08 -1.40 115.64 109.61 2x2m s THR 742 Ca 0.26 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2x2m s THR 742 Cb -0.01 -0.07 0.02 0.00 -1.51 0.00 0.00 72.50 70.93 2x2m s THR 742 CO 0.15 -0.09 -0.08 0.00 -2.21 0.00 0.00 174.62 172.38 2x2m s ALA 743 N -0.27 0.95 -0.19 11.08 0.00 -0.39 -0.39 121.76 132.54 2x2m s ALA 743 Ca -0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 2x2m s ALA 743 Cb -0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2x2m s ALA 743 CO -0.00 0.07 0.32 0.12 0.00 0.00 0.00 175.76 176.27 2x2m s PHE 744 N 0.68 3.40 -1.20 0.00 5.36 0.17 -1.77 117.98 124.63 2x2m s PHE 744 Ca -0.12 0.55 -0.07 0.00 -0.96 0.00 0.00 56.93 56.34 2x2m s PHE 744 Cb -0.14 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.11 2x2m s PHE 744 CO 0.02 0.11 0.78 1.58 -1.46 0.00 0.00 175.22 176.25 2x2m n HIS 745 N 4.05 -2.04 -2.87 10.12 -0.00 -0.43 -4.86 115.22 119.20 2x2m n HIS 745 Ca -0.11 0.74 -0.43 0.00 0.46 0.00 0.00 57.72 58.39 2x2m n HIS 745 Cb 0.52 -4.11 -0.04 0.00 -0.12 0.00 0.00 29.99 26.23 2x2m n HIS 745 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2x2m s LEU 746 N -6.34 4.07 -0.91 0.27 2.96 -1.19 -4.49 118.68 113.04 2x2m s LEU 746 Ca 0.22 0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 2x2m s LEU 746 Cb -0.06 -3.13 0.01 0.00 0.50 0.00 0.00 46.19 43.51 2x2m s LEU 746 CO 0.81 -0.95 0.62 0.29 -1.32 0.00 0.00 176.35 175.79 2x2m n LYS 747 N 6.92 -1.25 -1.07 1.98 5.02 -1.26 -1.52 118.16 126.98 2x2m n LYS 747 Ca 0.05 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 56.91 2x2m n LYS 747 Cb 0.48 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.21 2x2m n LYS 747 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x2m n GLY 748 N -1.75 0.33 3.60 0.72 0.00 -1.26 -4.97 105.19 101.85 2x2m n GLY 748 Ca -0.28 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2x2m n GLY 748 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x2m s ARG 749 N -1.88 3.94 0.52 1.61 0.52 -0.57 -5.06 118.95 118.02 2x2m s ARG 749 Ca 0.00 -0.01 -0.20 0.00 -0.52 0.00 0.00 55.73 55.00 2x2m s ARG 749 Cb 0.00 -3.69 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 2x2m s ARG 749 CO 0.00 -0.34 1.12 0.00 0.02 0.00 0.00 175.30 176.10 2x2m s ALA 750 N 2.11 2.77 0.00 2.13 0.00 -1.26 -3.19 121.76 124.32 2x2m s ALA 750 Ca 0.15 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2x2m s ALA 750 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2x2m s ALA 750 CO 0.10 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2x2m n GLY 751 N 0.16 0.13 3.88 0.00 0.00 -1.26 -4.82 105.19 103.28 2x2m n GLY 751 Ca 0.10 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2x2m n GLY 751 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x2m s TYR 752 N 0.00 3.57 -0.06 1.61 1.51 -1.26 -1.31 117.35 121.41 2x2m s TYR 752 Ca 0.00 0.58 0.01 0.00 -1.01 0.00 0.00 57.07 56.66 2x2m s TYR 752 Cb 0.00 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2x2m s TYR 752 CO 0.00 0.58 -0.07 0.99 -1.11 0.00 0.00 175.55 175.94 2x2m s THR 753 N -1.35 0.78 0.13 -0.71 2.01 -0.73 -4.94 115.64 110.83 2x2m s THR 753 Ca 0.30 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 2x2m s THR 753 Cb -0.13 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 2x2m s THR 753 CO 0.18 0.28 1.37 -0.89 -0.69 0.00 0.00 174.62 174.87 2x2m s THR 754 N 0.92 3.29 0.13 -0.82 2.01 -1.26 -1.26 115.64 118.64 2x2m s THR 754 Ca -0.11 0.95 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 2x2m s THR 754 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2x2m s THR 754 CO 0.01 0.09 0.12 0.68 -0.69 0.00 0.00 174.62 174.83 2x2m s VAL 755 N 0.88 0.10 0.12 3.82 -7.23 -0.49 -4.46 120.40 113.14 2x2m s VAL 755 Ca 0.63 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2x2m s VAL 755 Cb -0.37 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2x2m s VAL 755 CO 0.32 -0.47 0.16 0.00 -0.31 0.00 0.00 175.10 174.80 2x2m s ALA 756 N -4.01 3.71 -0.16 1.32 0.00 0.56 -0.30 121.76 122.88 2x2m s ALA 756 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2x2m s ALA 756 Cb 0.06 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.69 2x2m s ALA 756 CO -0.00 0.64 -0.05 0.08 0.00 0.00 0.00 175.76 176.43 2x2m s VAL 757 N -1.60 1.02 -0.04 0.00 1.01 0.05 0.23 120.40 121.07 2x2m s VAL 757 Ca 0.32 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2x2m s VAL 757 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2x2m s VAL 757 CO 0.25 0.14 0.65 -0.54 0.00 0.00 0.00 175.10 175.60 2x2m s LYS 758 N 1.68 4.40 0.24 2.72 -0.14 -0.06 -1.41 119.74 127.16 2x2m s LYS 758 Ca 0.01 0.81 -0.04 0.00 -1.36 0.00 0.00 55.97 55.39 2x2m s LYS 758 Cb -0.15 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 2x2m s LYS 758 CO -0.08 0.20 0.29 0.00 -0.76 0.00 0.00 175.35 175.01 2x2m s MET 759 N 0.34 1.43 0.32 1.68 0.23 -0.58 -0.90 119.30 121.82 2x2m s MET 759 Ca 0.34 -1.55 -0.28 0.00 -1.03 0.00 0.00 55.69 53.18 2x2m s MET 759 Cb -0.18 0.36 -0.09 0.00 -1.53 0.00 0.00 34.83 33.38 2x2m s MET 759 CO 0.18 -0.53 1.13 -0.51 -2.03 0.00 0.00 175.02 173.25 2x2m s LEU 760 N -3.14 4.43 1.20 0.18 1.43 -1.26 -1.33 118.68 120.20 2x2m s LEU 760 Ca 0.33 2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 55.54 2x2m s LEU 760 Cb 0.03 -3.76 0.28 0.00 0.03 0.00 0.00 46.19 42.78 2x2m s LEU 760 CO 0.13 -0.31 1.10 -0.54 0.23 0.00 0.00 176.35 176.96 2x2m s LYS 761 N -1.74 -1.20 0.13 1.70 1.02 -1.26 -4.75 119.74 113.64 2x2m s LYS 761 Ca 0.48 0.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.16 2x2m s LYS 761 Cb -0.31 -1.59 -0.10 0.00 -0.52 0.00 0.00 37.83 35.31 2x2m s LYS 761 CO 0.40 -3.71 1.68 -1.21 -0.92 0.00 0.00 175.35 171.59 2x2m s GLU 762 N -5.34 4.18 -0.29 1.68 8.01 -1.26 -3.69 118.70 121.99 2x2m s GLU 762 Ca 0.70 2.44 -0.01 0.00 0.01 0.00 0.00 54.97 58.11 2x2m s GLU 762 Cb -0.11 -3.39 0.00 0.00 -4.31 0.00 0.00 34.13 26.32 2x2m s GLU 762 CO 0.56 -0.72 0.25 0.09 0.01 0.00 0.00 175.26 175.45 2x2m n ASN 763 N 4.91 -2.59 -4.73 -0.19 3.02 -1.26 -4.95 115.26 109.45 2x2m n ASN 763 Ca 0.16 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2x2m n ASN 763 Cb 0.39 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 37.99 2x2m n ASN 763 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x2m s ALA 764 N -3.08 3.77 0.76 5.41 0.00 -1.24 -5.02 121.76 122.37 2x2m s ALA 764 Ca 0.08 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.42 2x2m s ALA 764 Cb -0.03 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.52 2x2m s ALA 764 CO 0.17 -0.88 1.10 -1.54 0.00 0.00 0.00 175.76 174.62 2x2m s SER 765 N 0.77 4.67 0.44 0.00 1.04 -1.26 -4.91 113.70 114.45 2x2m s SER 765 Ca 0.67 0.65 0.12 0.00 0.48 0.00 0.00 55.95 57.87 2x2m s SER 765 Cb -0.46 -1.22 1.00 0.00 0.10 0.00 0.00 66.02 65.44 2x2m s SER 765 CO 0.40 -1.75 2.02 -0.65 0.98 0.00 0.00 173.24 174.23 2x2m h PRO 766 N -0.84 0.40 -0.91 4.02 0.11 -1.99 -2.20 132.00 130.58 2x2m h PRO 766 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2x2m h PRO 766 Cb 1.32 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2x2m h PRO 766 CO 0.63 0.27 0.53 1.03 -0.21 0.00 0.00 178.00 180.25 2x2m h SER 767 N 0.42 1.12 -0.00 -2.05 0.87 -1.99 -0.78 113.55 111.13 2x2m h SER 767 Ca 0.21 -0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.46 2x2m h SER 767 Cb 0.32 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2x2m h SER 767 CO -0.05 0.88 -0.89 -0.33 -0.53 0.00 0.00 176.83 175.90 2x2m h GLU 768 N 1.27 0.61 -0.27 2.24 5.08 -1.78 -1.66 114.58 120.07 2x2m h GLU 768 Ca 0.33 -0.65 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2x2m h GLU 768 Cb -0.02 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2x2m h GLU 768 CO -0.06 1.25 0.08 1.25 -1.00 0.00 0.00 179.01 180.54 2x2m h LEU 769 N 0.23 0.08 -0.69 1.33 5.85 -1.32 -1.10 115.31 119.68 2x2m h LEU 769 Ca -0.11 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2x2m h LEU 769 Cb 1.57 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 2x2m h LEU 769 CO 0.18 0.08 0.39 -0.09 -0.34 0.00 0.00 178.44 178.66 2x2m h ARG 770 N 0.20 0.70 -0.55 1.25 2.43 -1.05 -1.13 114.38 116.23 2x2m h ARG 770 Ca 0.12 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2x2m h ARG 770 Cb 0.10 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2x2m h ARG 770 CO -0.13 0.46 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.35 2x2m h ASP 771 N 0.72 0.92 -0.41 -3.80 5.19 -1.00 0.66 116.42 118.70 2x2m h ASP 771 Ca 0.31 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2x2m h ASP 771 Cb 0.19 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2x2m h ASP 771 CO -0.18 0.98 0.25 0.25 -3.12 0.00 0.00 179.24 177.42 2x2m h LEU 772 N 0.87 0.42 -0.68 1.55 5.85 -0.83 -0.58 115.31 121.91 2x2m h LEU 772 Ca 0.16 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2x2m h LEU 772 Cb 0.52 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2x2m h LEU 772 CO 0.03 0.31 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.25 2x2m h LEU 773 N 0.51 0.90 -0.29 2.25 3.38 -0.80 -1.92 115.31 119.34 2x2m h LEU 773 Ca 0.16 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2x2m h LEU 773 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2x2m h LEU 773 CO -0.06 1.02 -0.16 -1.28 0.09 0.00 0.00 178.44 178.06 2x2m h SER 774 N 0.81 0.63 0.08 -0.43 0.87 -0.84 -1.82 113.55 112.84 2x2m h SER 774 Ca 0.13 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2x2m h SER 774 Cb 0.64 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2x2m h SER 774 CO 0.04 0.91 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.90 2x2m h GLU 775 N 0.35 -0.46 -0.73 2.24 4.81 -0.90 -0.02 114.58 119.89 2x2m h GLU 775 Ca 0.06 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 2x2m h GLU 775 Cb 0.69 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.03 2x2m h GLU 775 CO 0.05 -0.30 -0.22 0.35 -0.73 0.00 0.00 179.01 178.15 2x2m h PHE 776 N -0.47 -0.52 -0.70 0.92 3.57 -1.31 0.17 116.94 118.60 2x2m h PHE 776 Ca 0.04 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2x2m h PHE 776 Cb 0.52 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2x2m h PHE 776 CO -0.27 -0.34 0.22 -0.97 -2.23 0.00 0.00 178.31 174.71 2x2m h ASN 777 N -0.03 1.02 -0.36 0.41 -0.73 -0.64 -2.38 115.58 112.88 2x2m h ASN 777 Ca 0.34 -0.21 -0.10 0.00 1.87 0.00 0.00 56.30 58.20 2x2m h ASN 777 Cb 0.55 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 2x2m h ASN 777 CO -0.77 0.96 -0.15 0.58 -0.37 0.00 0.00 177.43 177.68 2x2m h VAL 778 N 1.03 1.28 0.00 2.57 2.07 -0.42 -3.22 116.25 119.56 2x2m h VAL 778 Ca 0.23 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2x2m h VAL 778 Cb 0.31 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2x2m h VAL 778 CO -0.01 0.42 -0.18 -0.07 0.02 0.00 0.00 177.57 177.75 2x2m h LEU 779 N 0.53 0.00 -1.54 2.57 3.38 -0.81 -1.87 115.31 117.57 2x2m h LEU 779 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2x2m h LEU 779 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2x2m h LEU 779 CO 0.05 0.18 -0.22 0.11 0.09 0.00 0.00 178.44 178.65 2x2m h LYS 780 N 0.00 0.02 -0.00 1.13 1.57 -1.44 -3.16 116.57 114.69 2x2m h LYS 780 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2x2m h LYS 780 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2x2m h LYS 780 CO 0.02 0.24 -0.51 1.04 -0.57 0.00 0.00 179.45 179.67 2x2m n GLN 781 N -4.27 0.37 -4.88 3.15 6.02 -0.71 -4.96 117.38 112.09 2x2m n GLN 781 Ca -0.02 -0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.40 2x2m n GLN 781 Cb 0.28 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.91 2x2m n GLN 781 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2x2m s VAL 782 N -2.80 3.05 -0.29 5.09 1.01 -1.19 -5.10 120.40 120.17 2x2m s VAL 782 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2x2m s VAL 782 Cb 0.18 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 34.55 2x2m s VAL 782 CO 0.66 0.59 0.57 0.20 0.00 0.00 0.00 175.10 177.12 2x2m s ASN 783 N -0.64 -1.39 -0.23 3.32 0.01 -1.26 -4.89 114.94 109.87 2x2m s ASN 783 Ca 0.09 0.27 -0.23 0.00 -0.71 0.00 0.00 52.86 52.29 2x2m s ASN 783 Cb -0.11 1.97 0.06 0.00 0.41 0.00 0.00 41.25 43.58 2x2m s ASN 783 CO 0.01 -0.30 0.64 -2.28 -1.51 0.00 0.00 177.10 173.67 2x2m s HIS 784 N 2.81 -0.70 0.66 2.20 2.46 -1.26 -5.03 115.29 116.42 2x2m s HIS 784 Ca 0.12 1.69 0.38 0.00 0.47 0.00 0.00 55.06 57.72 2x2m s HIS 784 Cb -0.11 0.25 2.06 0.00 -0.13 0.00 0.00 32.58 34.65 2x2m s HIS 784 CO -0.25 -0.35 2.19 -1.00 -2.47 0.00 0.00 174.74 172.86 2x2m h PRO 785 N 5.02 0.00 -0.36 2.88 0.13 -2.00 -1.63 132.00 136.04 2x2m h PRO 785 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 2x2m h PRO 785 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2x2m h PRO 785 CO 0.11 0.00 -0.01 0.72 -0.23 0.00 0.00 178.00 178.59 2x2m n HIS 786 N -3.14 1.15 -4.73 1.56 8.25 -1.26 -4.85 115.22 112.19 2x2m n HIS 786 Ca -0.02 -1.39 -0.25 0.00 -0.26 0.00 0.00 57.72 55.80 2x2m n HIS 786 Cb 0.20 -0.46 -0.16 0.00 1.12 0.00 0.00 29.99 30.69 2x2m n HIS 786 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2x2m s VAL 787 N -3.12 1.29 0.35 1.59 1.01 -0.62 -0.71 120.40 120.19 2x2m s VAL 787 Ca 0.44 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 2x2m s VAL 787 Cb 0.39 -1.12 -0.12 0.00 0.00 0.00 0.00 36.38 35.53 2x2m s VAL 787 CO 0.03 0.38 1.43 0.00 0.00 0.00 0.00 175.10 176.94 2x2m n ILE 788 N 3.32 1.80 -3.59 2.22 0.13 -0.34 -4.59 119.36 118.32 2x2m n ILE 788 Ca -0.19 -0.45 -0.38 0.00 -1.10 0.00 0.00 62.75 60.63 2x2m n ILE 788 Cb 0.53 -1.81 -0.06 0.00 -0.84 0.00 0.00 39.64 37.46 2x2m n ILE 788 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 2x2m s LYS 789 N -1.71 3.88 -0.18 9.51 2.20 -1.26 -4.97 119.74 127.22 2x2m s LYS 789 Ca 0.56 0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 56.31 2x2m s LYS 789 Cb -0.52 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 2x2m s LYS 789 CO 0.60 0.62 0.17 -1.17 -0.36 0.00 0.00 175.35 175.21 2x2m s LEU 790 N -0.75 4.25 -0.11 5.43 2.96 -1.26 -1.24 118.68 127.95 2x2m s LEU 790 Ca 0.21 0.34 0.20 0.00 -0.22 0.00 0.00 54.13 54.65 2x2m s LEU 790 Cb -0.15 -2.16 -0.29 0.00 0.50 0.00 0.00 46.19 44.09 2x2m s LEU 790 CO 0.10 0.19 0.27 -1.22 -1.32 0.00 0.00 176.35 174.37 2x2m n TYR 791 N 3.30 0.00 -2.20 5.38 4.02 0.29 -4.99 117.16 122.95 2x2m n TYR 791 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2x2m n TYR 791 Cb 0.52 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 2x2m n TYR 791 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x2m n GLY 792 N 1.54 -1.54 3.31 2.72 0.00 -1.14 -4.87 105.19 105.21 2x2m n GLY 792 Ca -0.18 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 2x2m n GLY 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2m s ALA 793 N -1.36 -1.04 -0.21 4.61 0.00 0.53 -1.11 121.76 123.18 2x2m s ALA 793 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2x2m s ALA 793 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2x2m s ALA 793 CO 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 175.76 175.43 2x2m n SER 795 N 4.60 0.36 -0.04 0.00 3.41 -1.26 -0.87 113.62 119.82 2x2m n SER 795 Ca -0.18 -1.07 -0.21 0.00 -0.26 0.00 0.00 58.87 57.15 2x2m n SER 795 Cb 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 2x2m n SER 795 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x2m n GLN 796 N -0.04 0.71 -2.76 4.33 6.02 -1.26 -4.67 117.38 119.71 2x2m n GLN 796 Ca 0.00 0.26 -0.10 0.00 -0.01 0.00 0.00 57.00 57.15 2x2m n GLN 796 Cb 0.24 -1.66 0.04 0.00 1.02 0.00 0.00 30.24 29.88 2x2m n GLN 796 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2x2m n ASP 797 N -3.55 0.70 0.00 1.08 9.92 -1.26 -5.10 116.55 118.34 2x2m n ASP 797 Ca -0.36 -2.76 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 2x2m n ASP 797 Cb 1.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 2x2m n ASP 797 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2x2m n GLY 798 N -0.07 -1.80 3.74 0.44 0.00 -1.26 -5.14 105.19 101.10 2x2m n GLY 798 Ca 0.10 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2x2m n GLY 798 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x2m s PRO 799 N -1.70 2.31 0.09 1.61 0.04 -1.26 -4.81 135.00 131.28 2x2m s PRO 799 Ca 0.00 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 2x2m s PRO 799 Cb 0.00 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2x2m s PRO 799 CO 0.00 -1.65 1.46 -1.17 0.04 0.00 0.00 177.00 175.68 2x2m s LEU 800 N -5.27 4.36 -0.09 -3.56 2.96 -1.26 -4.66 118.68 111.15 2x2m s LEU 800 Ca 0.69 2.34 0.01 0.00 -0.22 0.00 0.00 54.13 56.96 2x2m s LEU 800 Cb -0.23 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.90 2x2m s LEU 800 CO 0.46 -0.73 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.88 2x2m s LEU 801 N 1.68 1.54 -0.27 -0.68 1.43 -0.05 -4.30 118.68 118.04 2x2m s LEU 801 Ca 0.67 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2x2m s LEU 801 Cb -0.37 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2x2m s LEU 801 CO 0.30 -0.01 0.14 -0.76 0.23 0.00 0.00 176.35 176.25 2x2m s LEU 802 N 0.99 3.77 -0.34 1.79 1.43 -0.08 -0.98 118.68 125.27 2x2m s LEU 802 Ca -0.08 -0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2x2m s LEU 802 Cb -0.15 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2x2m s LEU 802 CO -0.00 -0.05 0.58 -0.63 0.23 0.00 0.00 176.35 176.48 2x2m s ILE 803 N 1.69 4.96 0.23 -0.59 1.01 -0.26 -0.88 121.20 127.37 2x2m s ILE 803 Ca 0.07 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.32 2x2m s ILE 803 Cb -0.16 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2x2m s ILE 803 CO 0.08 -0.21 0.01 0.68 0.00 0.00 0.00 174.94 175.50 2x2m s VAL 804 N 2.53 0.96 0.08 2.92 -7.23 0.13 -0.55 120.40 119.25 2x2m s VAL 804 Ca 0.22 -2.02 -0.35 0.00 -1.81 0.00 0.00 61.98 58.02 2x2m s VAL 804 Cb -0.15 -2.38 -0.15 0.00 0.56 0.00 0.00 36.38 34.26 2x2m s VAL 804 CO 0.13 -0.28 1.55 1.21 -0.31 0.00 0.00 175.10 177.40 2x2m n GLU 805 N -0.42 1.78 -2.74 4.82 2.13 -0.37 -0.32 120.64 125.52 2x2m n GLU 805 Ca -0.04 0.65 -0.41 0.00 0.66 0.00 0.00 57.16 58.01 2x2m n GLU 805 Cb 0.64 -2.38 -0.04 0.00 0.27 0.00 0.00 31.44 29.93 2x2m n GLU 805 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2x2m s TYR 806 N 1.36 3.74 -0.33 4.31 5.04 -1.26 -4.33 117.35 125.87 2x2m s TYR 806 Ca 0.84 1.73 -0.00 0.00 -2.44 0.00 0.00 57.07 57.20 2x2m s TYR 806 Cb -0.79 -3.07 0.07 0.00 0.35 0.00 0.00 41.96 38.52 2x2m s TYR 806 CO 0.44 0.11 0.04 0.00 -1.34 0.00 0.00 175.55 174.81 2x2m s ALA 807 N 0.45 2.88 0.55 3.97 0.00 -1.26 -4.79 121.76 123.56 2x2m s ALA 807 Ca 0.49 -2.09 0.22 0.00 0.00 0.00 0.00 51.96 50.58 2x2m s ALA 807 Cb -0.22 -2.02 1.46 0.00 0.00 0.00 0.00 23.12 22.34 2x2m s ALA 807 CO 0.29 -1.47 2.13 1.57 0.00 0.00 0.00 175.76 178.28 2x2m h LYS 808 N 7.91 0.00 -0.11 0.00 2.10 -1.84 -1.20 116.57 123.43 2x2m h LYS 808 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2x2m h LYS 808 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2x2m h LYS 808 CO 0.56 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.67 2x2m n TYR 809 N -4.26 0.13 -4.45 0.07 4.02 -0.22 -5.04 117.16 107.41 2x2m n TYR 809 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2x2m n TYR 809 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 2x2m n TYR 809 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x2m n GLY 810 N 1.21 0.17 3.80 2.72 0.00 -0.46 -4.58 105.19 108.05 2x2m n GLY 810 Ca 0.17 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 2x2m n GLY 810 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x2m s SER 811 N -4.00 6.46 0.22 1.61 1.04 -1.26 -0.43 113.70 117.35 2x2m s SER 811 Ca 0.00 1.89 -0.09 0.00 0.48 0.00 0.00 55.95 58.24 2x2m s SER 811 Cb 0.00 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.76 2x2m s SER 811 CO 0.00 -0.70 1.89 0.25 0.98 0.00 0.00 173.24 175.67 2x2m h LEU 812 N 1.67 0.94 -0.41 2.42 5.85 0.94 -1.22 115.31 125.50 2x2m h LEU 812 Ca -0.49 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.28 2x2m h LEU 812 Cb 1.21 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2x2m h LEU 812 CO 0.59 0.68 0.02 -0.09 -0.34 0.00 0.00 178.44 179.30 2x2m h ARG 813 N 1.11 0.13 -0.35 1.25 2.43 -1.73 0.26 114.38 117.47 2x2m h ARG 813 Ca 0.31 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2x2m h ARG 813 Cb -0.10 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2x2m h ARG 813 CO -0.08 0.08 -0.07 0.78 -1.51 0.00 0.00 179.97 179.18 2x2m h GLY 814 N 0.13 0.62 0.90 2.80 0.00 -1.66 0.01 103.07 105.87 2x2m h GLY 814 Ca 0.20 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 2x2m h GLY 814 CO -0.32 0.38 -0.59 -2.75 0.00 0.00 0.00 176.54 173.26 2x2m h PHE 815 N 0.54 0.74 -0.08 5.60 3.57 -0.44 -2.06 116.94 124.81 2x2m h PHE 815 Ca 0.11 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2x2m h PHE 815 Cb 0.45 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2x2m h PHE 815 CO 0.02 1.14 0.05 -0.07 -2.23 0.00 0.00 178.31 177.22 2x2m h LEU 816 N 0.12 0.10 -1.81 0.59 3.38 -0.20 -2.91 115.31 114.59 2x2m h LEU 816 Ca -0.05 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2x2m h LEU 816 Cb 1.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2x2m h LEU 816 CO 0.12 0.08 0.20 0.03 0.09 0.00 0.00 178.44 178.96 2x2m h ARG 817 N 0.10 0.24 0.00 1.13 3.08 -0.87 -0.46 114.38 117.61 2x2m h ARG 817 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2x2m h ARG 817 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2x2m h ARG 817 CO -0.01 0.16 0.00 0.39 -1.07 0.00 0.00 179.97 179.44 2x2m n GLU 818 N -4.49 0.81 -2.43 0.04 1.02 -0.79 -4.90 120.64 109.90 2x2m n GLU 818 Ca 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.12 2x2m n GLU 818 Cb 0.18 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 2x2m n GLU 818 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2x2m n SER 819 N -0.74 1.38 0.04 1.62 3.41 -0.18 -4.93 113.62 114.22 2x2m n SER 819 Ca 0.09 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2x2m n SER 819 Cb 0.04 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2x2m n SER 819 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2x2m n ARG 820 N -0.18 0.00 -3.66 4.33 1.85 -1.26 -5.06 116.66 112.68 2x2m n ARG 820 Ca -0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.45 2x2m n ARG 820 Cb 0.11 -0.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.96 2x2m n ARG 820 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2x2m s ALA 845 N -2.00 3.33 -0.02 2.89 0.00 -1.26 -4.89 121.76 119.81 2x2m s ALA 845 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2x2m s ALA 845 Cb 0.00 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2x2m s ALA 845 CO 0.00 -0.69 -0.11 -0.51 0.00 0.00 0.00 175.76 174.45 2x2m s LEU 846 N 1.66 1.92 0.50 0.00 1.43 -1.26 -5.13 118.68 117.80 2x2m s LEU 846 Ca 0.06 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2x2m s LEU 846 Cb -0.16 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2x2m s LEU 846 CO 0.07 0.11 0.79 0.42 0.23 0.00 0.00 176.35 177.97 2x2m s THR 847 N -0.05 4.45 0.51 5.49 -4.23 -1.26 -4.96 115.64 115.59 2x2m s THR 847 Ca 0.01 0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.73 2x2m s THR 847 Cb -0.07 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.40 2x2m s THR 847 CO 0.00 -0.66 2.06 0.00 -0.54 0.00 0.00 174.62 175.47 2x2m h MET 848 N 0.16 0.09 -0.62 3.99 -0.00 -1.99 -1.62 114.93 114.94 2x2m h MET 848 Ca -0.47 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.70 59.15 2x2m h MET 848 Cb 1.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.78 2x2m h MET 848 CO 0.61 0.06 0.07 0.78 -0.00 0.00 0.00 176.91 178.43 2x2m h GLY 849 N 0.09 1.11 0.94 -3.00 0.00 -1.97 0.20 103.07 100.44 2x2m h GLY 849 Ca 0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2x2m h GLY 849 CO -0.01 0.69 0.15 -0.55 0.00 0.00 0.00 176.54 176.81 2x2m h ASP 850 N 0.96 0.52 -0.03 0.19 3.32 -1.69 -1.39 116.42 118.30 2x2m h ASP 850 Ca 0.19 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2x2m h ASP 850 Cb 0.45 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2x2m h ASP 850 CO 0.02 0.54 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.74 2x2m h LEU 851 N 0.46 0.47 -0.44 1.55 3.38 -0.92 -1.36 115.31 118.45 2x2m h LEU 851 Ca 0.12 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2x2m h LEU 851 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2x2m h LEU 851 CO -0.01 0.73 -0.42 0.40 0.09 0.00 0.00 178.44 179.23 2x2m h ILE 852 N 0.41 1.28 -0.63 1.22 2.04 -0.54 -2.28 117.51 119.01 2x2m h ILE 852 Ca 0.06 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 2x2m h ILE 852 Cb 0.69 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2x2m h ILE 852 CO 0.05 0.53 0.28 -1.28 0.00 0.00 0.00 178.15 177.72 2x2m h SER 853 N 0.68 0.85 -0.03 1.72 0.87 -0.86 -0.24 113.55 116.54 2x2m h SER 853 Ca 0.05 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2x2m h SER 853 Cb 1.00 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2x2m h SER 853 CO 0.10 0.77 -0.13 -0.26 -0.53 0.00 0.00 176.83 176.77 2x2m h PHE 854 N 0.87 -0.33 -0.68 2.24 0.05 -1.14 0.15 116.94 118.11 2x2m h PHE 854 Ca 0.21 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.98 2x2m h PHE 854 Cb 0.16 0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.24 2x2m h PHE 854 CO 0.01 -0.19 0.29 0.00 -0.18 0.00 0.00 178.31 178.24 2x2m h ALA 855 N 0.77 1.24 -0.36 2.45 0.00 -1.12 -1.52 119.26 120.73 2x2m h ALA 855 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2x2m h ALA 855 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2x2m h ALA 855 CO -0.15 0.57 0.08 2.35 0.00 0.00 0.00 179.25 182.10 2x2m h TRP 856 N 0.97 0.62 -0.30 0.00 7.01 -0.50 0.16 115.95 123.90 2x2m h TRP 856 Ca 0.23 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.18 2x2m h TRP 856 Cb 0.15 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 2x2m h TRP 856 CO 0.01 0.62 0.13 1.96 -2.79 0.00 0.00 178.44 178.37 2x2m h GLN 857 N 0.44 0.26 -0.40 2.65 4.20 -0.49 -1.22 115.11 120.55 2x2m h GLN 857 Ca 0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2x2m h GLN 857 Cb 0.32 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2x2m h GLN 857 CO 0.00 0.18 0.26 0.82 -0.67 0.00 0.00 178.83 179.42 2x2m h ILE 858 N 0.27 1.11 -0.74 2.54 2.04 -1.05 -2.10 117.51 119.59 2x2m h ILE 858 Ca 0.13 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.89 2x2m h ILE 858 Cb 0.08 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 2x2m h ILE 858 CO -0.11 0.11 0.35 -1.28 0.00 0.00 0.00 178.15 177.21 2x2m h SER 859 N 0.54 0.42 -0.83 1.72 0.87 -0.02 -0.68 113.55 115.58 2x2m h SER 859 Ca 0.15 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2x2m h SER 859 Cb -0.05 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 2x2m h SER 859 CO -0.03 0.22 0.47 1.56 -0.53 0.00 0.00 176.83 178.51 2x2m h GLN 860 N 0.56 1.15 -0.56 2.24 1.08 -0.93 -0.15 115.11 118.51 2x2m h GLN 860 Ca 0.38 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 2x2m h GLN 860 Cb 0.48 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2x2m h GLN 860 CO -0.32 0.84 0.11 0.78 -0.95 0.00 0.00 178.83 179.29 2x2m h GLY 861 N 1.15 0.98 1.33 3.46 0.00 -0.70 -2.29 103.07 107.01 2x2m h GLY 861 Ca 0.29 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2x2m h GLY 861 CO -0.05 0.59 0.18 -0.33 0.00 0.00 0.00 176.54 176.93 2x2m h MET 862 N 0.80 0.84 -0.64 4.80 2.86 -0.86 -1.09 114.93 121.65 2x2m h MET 862 Ca 0.17 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2x2m h MET 862 Cb 0.38 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2x2m h MET 862 CO 0.01 0.73 0.16 0.37 1.06 0.00 0.00 176.91 179.24 2x2m h GLN 863 N 0.82 1.02 -0.53 1.72 4.15 -0.79 0.12 115.11 121.61 2x2m h GLN 863 Ca 0.19 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 2x2m h GLN 863 Cb 0.23 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2x2m h GLN 863 CO -0.01 0.91 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.83 2x2m h TYR 864 N 0.94 1.08 -0.49 3.99 5.03 -1.15 -0.71 116.97 125.66 2x2m h TYR 864 Ca 0.20 -0.21 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2x2m h TYR 864 Cb 0.35 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 2x2m h TYR 864 CO 0.03 1.00 0.16 -0.07 -1.32 0.00 0.00 178.16 177.96 2x2m h LEU 865 N 0.85 0.71 -0.39 2.82 3.38 -1.03 -1.52 115.31 120.13 2x2m h LEU 865 Ca 0.14 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2x2m h LEU 865 Cb 0.61 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2x2m h LEU 865 CO 0.04 0.73 0.17 0.00 0.09 0.00 0.00 178.44 179.47 2x2m h ALA 866 N 1.01 0.47 0.00 1.53 0.00 -0.63 -1.49 119.26 120.16 2x2m h ALA 866 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2x2m h ALA 866 Cb 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x2m h ALA 866 CO -0.01 -0.20 -0.09 0.93 0.00 0.00 0.00 179.25 179.88 2x2m h GLU 867 N 0.36 0.00 -0.05 0.00 3.07 -1.03 -0.40 114.58 116.52 2x2m h GLU 867 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2x2m h GLU 867 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2x2m h GLU 867 CO -0.14 0.09 0.00 -0.12 -1.40 0.00 0.00 179.01 177.43 2x2m n MET 868 N -3.47 1.26 -3.54 2.33 0.00 -0.58 -4.92 117.12 108.21 2x2m n MET 868 Ca -0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 57.70 57.09 2x2m n MET 868 Cb 0.23 -1.35 0.08 0.00 0.00 0.00 0.00 33.22 32.17 2x2m n MET 868 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2x2m n LYS 869 N -0.41 -6.61 -4.72 2.12 4.76 -0.16 -4.92 118.16 108.22 2x2m n LYS 869 Ca 0.16 0.80 -0.29 0.00 -2.87 0.00 0.00 58.31 56.11 2x2m n LYS 869 Cb 0.17 -5.75 -0.17 0.00 -1.84 0.00 0.00 35.03 27.44 2x2m n LYS 869 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x2m s LEU 870 N -6.67 1.83 -0.17 -0.35 1.43 -0.73 -0.18 118.68 113.84 2x2m s LEU 870 Ca 0.17 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 2x2m s LEU 870 Cb -0.08 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2x2m s LEU 870 CO 0.75 0.06 0.36 0.68 0.23 0.00 0.00 176.35 178.43 2x2m s VAL 871 N 0.71 5.25 -0.02 -1.59 -7.23 -0.35 -4.04 120.40 113.12 2x2m s VAL 871 Ca -0.12 0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 60.53 2x2m s VAL 871 Cb -0.16 -3.70 -0.33 0.00 0.56 0.00 0.00 36.38 32.75 2x2m s VAL 871 CO 0.03 0.33 0.94 -0.74 -0.31 0.00 0.00 175.10 175.34 2x2m h HIS 872 N 6.92 0.71 0.00 2.82 2.76 -1.89 -1.30 115.15 125.16 2x2m h HIS 872 Ca -0.39 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.26 2x2m h HIS 872 Cb 1.17 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2x2m h HIS 872 CO 0.63 1.40 0.00 0.54 -1.30 0.00 0.00 177.93 179.20 2x2m n ARG 873 N -3.98 0.00 -1.12 5.26 1.74 -1.26 -3.76 116.66 113.53 2x2m n ARG 873 Ca -0.15 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.78 2x2m n ARG 873 Cb 0.92 -0.01 0.16 0.00 -1.02 0.00 0.00 32.46 32.52 2x2m n ARG 873 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2x2m n ASP 874 N 1.96 3.74 -4.66 0.55 4.64 -1.26 -4.96 116.55 116.55 2x2m n ASP 874 Ca 0.00 -3.75 -0.43 0.00 -1.38 0.00 0.00 54.79 49.23 2x2m n ASP 874 Cb 0.00 -0.70 -0.02 0.00 -1.04 0.00 0.00 41.12 39.36 2x2m n ASP 874 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2x2m s LEU 875 N -3.39 4.24 -0.04 -2.67 2.96 -1.26 -4.82 118.68 113.70 2x2m s LEU 875 Ca 0.51 1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 56.03 2x2m s LEU 875 Cb 0.44 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.68 2x2m s LEU 875 CO 0.02 -0.80 0.80 0.00 -1.32 0.00 0.00 176.35 175.06 2x2m s ALA 876 N 3.48 -1.80 0.31 5.97 0.00 -1.24 -4.74 121.76 123.73 2x2m s ALA 876 Ca 0.61 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.85 2x2m s ALA 876 Cb -0.26 -0.00 0.71 0.00 0.00 0.00 0.00 23.12 23.56 2x2m s ALA 876 CO 0.21 -0.47 1.82 0.00 0.00 0.00 0.00 175.76 177.31 2x2m h ALA 877 N 2.52 1.68 0.00 0.00 0.00 -1.90 0.12 119.26 121.69 2x2m h ALA 877 Ca -0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2x2m h ALA 877 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2x2m h ALA 877 CO 0.35 0.02 0.00 0.07 0.00 0.00 0.00 179.25 179.69 2x2m h ARG 878 N 0.82 0.00 -0.34 0.00 0.11 -1.93 -2.44 114.38 110.59 2x2m h ARG 878 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 2x2m h ARG 878 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2x2m h ARG 878 CO -0.29 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.87 2x2m n ASN 879 N -2.67 3.02 -4.39 0.08 5.03 0.41 -4.79 115.26 111.94 2x2m n ASN 879 Ca -0.01 -1.89 -0.34 0.00 0.87 0.00 0.00 54.58 53.21 2x2m n ASN 879 Cb 0.11 -0.22 -0.13 0.00 -1.02 0.00 0.00 39.78 38.52 2x2m n ASN 879 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2x2m s ILE 880 N -1.14 3.50 0.21 2.41 -1.09 -0.94 -1.73 121.20 122.41 2x2m s ILE 880 Ca 0.29 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.22 2x2m s ILE 880 Cb 0.16 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2x2m s ILE 880 CO 0.22 0.47 0.41 -0.76 -1.23 0.00 0.00 174.94 174.05 2x2m s LEU 881 N 0.83 4.21 -0.37 2.97 1.43 0.90 0.12 118.68 128.77 2x2m s LEU 881 Ca -0.02 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 2x2m s LEU 881 Cb -0.15 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 42.94 2x2m s LEU 881 CO 0.01 -0.06 0.14 -0.69 0.23 0.00 0.00 176.35 175.99 2x2m s VAL 882 N -1.89 3.54 0.65 -1.59 1.01 0.43 -0.01 120.40 122.55 2x2m s VAL 882 Ca 0.39 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2x2m s VAL 882 Cb -0.11 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.24 2x2m s VAL 882 CO 0.29 -0.39 0.89 0.00 0.00 0.00 0.00 175.10 175.89 2x2m n ALA 883 N 4.72 -0.43 -1.61 5.51 0.00 0.87 -1.06 120.51 128.52 2x2m n ALA 883 Ca -0.09 -1.45 -0.48 0.00 0.00 0.00 0.00 53.44 51.42 2x2m n ALA 883 Cb 0.43 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 2x2m n ALA 883 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x2m n GLU 884 N -2.76 1.49 -0.74 0.00 1.02 -1.26 -1.92 120.64 116.47 2x2m n GLU 884 Ca 0.13 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2x2m n GLU 884 Cb 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2x2m n GLU 884 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x2m n GLY 885 N 2.21 0.58 3.74 0.62 0.00 -1.26 -3.79 105.19 107.29 2x2m n GLY 885 Ca 0.14 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2x2m n GLY 885 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2m n ARG 886 N -2.74 -6.83 -3.23 1.61 1.74 -0.81 -4.97 116.66 101.43 2x2m n ARG 886 Ca 0.00 0.72 -0.39 0.00 -0.77 0.00 0.00 57.85 57.41 2x2m n ARG 886 Cb 0.00 -5.70 -0.06 0.00 -1.02 0.00 0.00 32.46 25.68 2x2m n ARG 886 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2x2m s LYS 887 N -6.44 4.28 0.25 5.56 1.02 -1.09 -4.87 119.74 118.45 2x2m s LYS 887 Ca 0.61 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 2x2m s LYS 887 Cb -0.29 -3.51 -0.10 0.00 -0.52 0.00 0.00 37.83 33.42 2x2m s LYS 887 CO 0.78 -0.03 1.43 -1.64 -0.92 0.00 0.00 175.35 174.97 2x2m s MET 888 N 1.22 4.27 -0.13 1.68 -1.94 -1.26 -0.09 119.30 123.05 2x2m s MET 888 Ca 0.27 2.29 -0.01 0.00 -1.71 0.00 0.00 55.69 56.54 2x2m s MET 888 Cb -0.16 -3.11 0.03 0.00 2.01 0.00 0.00 34.83 33.61 2x2m s MET 888 CO 0.11 -0.40 -0.05 0.15 -0.01 0.00 0.00 175.02 174.82 2x2m s LYS 889 N -0.49 1.31 0.17 2.03 -0.14 0.99 -4.40 119.74 119.22 2x2m s LYS 889 Ca 0.58 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.58 2x2m s LYS 889 Cb -0.42 -1.69 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 2x2m s LYS 889 CO 0.44 -0.35 1.27 0.42 -0.76 0.00 0.00 175.35 176.37 2x2m s ILE 890 N 1.73 3.41 0.36 2.17 1.01 0.11 -0.07 121.20 129.91 2x2m s ILE 890 Ca 0.03 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.85 2x2m s ILE 890 Cb -0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2x2m s ILE 890 CO -0.08 0.16 0.15 -0.55 0.00 0.00 0.00 174.94 174.62 2x2m s SER 891 N 0.41 2.24 -0.30 3.58 0.15 -0.71 -1.20 113.70 117.87 2x2m s SER 891 Ca 0.56 -1.62 -0.09 0.00 0.70 0.00 0.00 55.95 55.50 2x2m s SER 891 Cb -0.35 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2x2m s SER 891 CO 0.36 -0.91 0.33 -0.67 1.20 0.00 0.00 173.24 173.55 2x2m n ASP 892 N -1.16 -6.64 -1.26 5.45 4.64 -1.26 -4.84 116.55 111.48 2x2m n ASP 892 Ca -0.02 0.63 0.09 0.00 -1.38 0.00 0.00 54.79 54.10 2x2m n ASP 892 Cb 0.65 -4.40 0.30 0.00 -1.04 0.00 0.00 41.12 36.62 2x2m n ASP 892 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2x2m n PHE 893 N -0.08 1.15 -0.20 -0.67 3.01 -1.26 -4.55 117.46 114.86 2x2m n PHE 893 Ca 0.07 -0.62 0.09 0.00 1.01 0.00 0.00 57.45 57.99 2x2m n PHE 893 Cb 0.25 -0.19 0.39 0.00 -0.01 0.00 0.00 39.48 39.91 2x2m n PHE 893 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2x2m h GLY 894 N 3.29 0.96 -2.22 1.37 0.00 -1.91 -2.66 103.07 101.91 2x2m h GLY 894 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2x2m h GLY 894 CO 0.17 0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.91 2x2m n LEU 895 N -4.50 3.40 -4.78 3.11 4.77 -1.26 -4.60 117.00 113.14 2x2m n LEU 895 Ca 0.13 -1.52 -0.37 0.00 -0.03 0.00 0.00 56.01 54.22 2x2m n LEU 895 Cb 0.34 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2x2m n LEU 895 CO 0.32 0.74 0.71 -0.44 -1.33 0.00 0.00 177.39 177.39 2x2m s SER 896 N -1.42 6.97 0.08 -1.43 0.01 -1.00 -4.70 113.70 112.20 2x2m s SER 896 Ca 0.37 1.98 0.05 0.00 1.31 0.00 0.00 55.95 59.66 2x2m s SER 896 Cb 0.22 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2x2m s SER 896 CO 0.30 -0.34 -0.14 -0.13 0.41 0.00 0.00 173.24 173.34 2x2m s ARG 897 N -2.33 0.84 -0.17 12.44 1.81 -0.49 -4.98 118.95 126.06 2x2m s ARG 897 Ca 0.55 -1.00 -0.26 0.00 -1.72 0.00 0.00 55.73 53.30 2x2m s ARG 897 Cb -0.21 -0.81 -0.01 0.00 -0.45 0.00 0.00 34.95 33.47 2x2m s ARG 897 CO 0.27 0.17 0.86 0.34 -0.68 0.00 0.00 175.30 176.26 2x2m s ASP 898 N -1.86 6.98 -0.23 0.23 2.15 -1.26 -1.22 116.67 121.47 2x2m s ASP 898 Ca -0.00 1.21 0.12 0.00 0.43 0.00 0.00 52.55 54.30 2x2m s ASP 898 Cb -0.09 -2.47 0.44 0.00 -0.30 0.00 0.00 42.92 40.50 2x2m s ASP 898 CO 0.02 -0.43 1.31 1.33 -0.17 0.00 0.00 175.17 177.23 2x2m n VAL 899 N 4.80 2.29 -0.09 1.11 0.24 0.75 -4.83 118.33 122.60 2x2m n VAL 899 Ca 0.05 -2.87 -0.09 0.00 -2.04 0.00 0.00 64.34 59.39 2x2m n VAL 899 Cb 0.48 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 2x2m n VAL 899 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 2x2m h TYR 900 N 0.92 -1.03 -0.03 6.34 -0.00 -1.92 -1.35 116.97 119.90 2x2m h TYR 900 Ca 0.08 0.06 -0.02 0.00 -0.00 0.00 0.00 58.73 58.84 2x2m h TYR 900 Cb 1.25 0.50 0.00 0.00 -0.00 0.00 0.00 36.73 38.48 2x2m h TYR 900 CO 0.74 -0.41 -0.07 0.93 -0.00 0.00 0.00 178.16 179.35 2x2m h GLU 901 N -0.32 0.11 0.00 1.82 3.07 -1.95 -3.38 114.58 113.92 2x2m h GLU 901 Ca 0.14 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2x2m h GLU 901 Cb 0.56 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2x2m h GLU 901 CO -0.50 0.65 -1.09 0.39 -1.40 0.00 0.00 179.01 177.05 2x2m n GLU 902 N -4.72 1.57 -1.16 2.33 -0.58 -1.23 -4.99 120.64 111.86 2x2m n GLU 902 Ca -0.08 -0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.54 2x2m n GLU 902 Cb 0.33 -1.23 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 2x2m n GLU 902 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2x2m n ASP 903 N -1.62 -4.94 0.00 1.62 8.00 -0.51 -5.14 116.55 113.96 2x2m n ASP 903 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2x2m n ASP 903 Cb 0.28 -2.93 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2x2m n ASP 903 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2x2m n SER 904 N -0.55 0.00 -3.39 -2.24 3.41 -1.26 -4.68 113.62 104.91 2x2m n SER 904 Ca -0.06 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2x2m n SER 904 Cb 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2x2m n SER 904 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2x2m s VAL 906 N -0.35 -0.07 -0.31 -3.33 1.01 -1.26 -4.87 120.40 111.22 2x2m s VAL 906 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2x2m s VAL 906 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.41 2x2m s VAL 906 CO 0.00 0.00 0.06 -0.75 0.00 0.00 0.00 175.10 174.41 2x2m s LYS 907 N 1.68 2.69 0.07 2.72 2.20 -0.95 -5.02 119.74 123.12 2x2m s LYS 907 Ca -0.03 -1.12 -0.35 0.00 -0.36 0.00 0.00 55.97 54.11 2x2m s LYS 907 Cb -0.02 -3.33 -0.19 0.00 -1.51 0.00 0.00 37.83 32.78 2x2m s LYS 907 CO -0.14 -0.59 1.60 -0.09 -0.36 0.00 0.00 175.35 175.77 2x2m h ARG 908 N 8.15 -1.04 -7.65 4.03 2.43 -1.97 -3.45 114.38 114.88 2x2m h ARG 908 Ca -0.25 0.07 -0.42 0.00 -0.81 0.00 0.00 59.98 58.56 2x2m h ARG 908 Cb 1.09 0.24 0.19 0.00 -0.42 0.00 0.00 29.97 31.06 2x2m h ARG 908 CO 0.58 -0.69 0.28 -1.54 -1.51 0.00 0.00 179.97 177.09 2x2m s SER 909 N -4.25 1.76 0.15 -3.80 1.04 -1.26 -4.97 113.70 102.36 2x2m s SER 909 Ca -0.19 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 56.27 2x2m s SER 909 Cb 0.03 -0.37 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 2x2m s SER 909 CO 0.61 -3.58 1.19 -1.10 0.98 0.00 0.00 173.24 171.35 2x2m s GLN 910 N -5.75 4.48 1.05 4.02 -1.52 -1.26 -5.02 119.66 115.65 2x2m s GLN 910 Ca 0.74 1.84 -0.16 0.00 -1.95 0.00 0.00 55.36 55.83 2x2m s GLN 910 Cb -0.05 -3.27 0.22 0.00 -0.22 0.00 0.00 33.01 29.68 2x2m s GLN 910 CO 0.55 -0.13 1.16 0.20 -0.25 0.00 0.00 175.29 176.82 2x2m s GLY 911 N 0.40 1.62 -0.13 3.09 0.00 -1.26 -5.02 107.32 106.02 2x2m s GLY 911 Ca 0.55 -0.81 0.17 0.00 0.00 0.00 0.00 44.72 44.62 2x2m s GLY 911 CO 0.34 -0.08 1.22 0.54 0.00 0.00 0.00 173.10 175.12 2x2m n ARG 912 N -4.20 1.87 -3.17 2.90 1.74 -1.26 -4.98 116.66 109.55 2x2m n ARG 912 Ca 0.11 -2.58 -0.39 0.00 -0.77 0.00 0.00 57.85 54.22 2x2m n ARG 912 Cb 0.59 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 2x2m n ARG 912 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x2m s ILE 913 N -2.72 4.89 0.22 0.55 1.09 -1.26 -5.02 121.20 118.95 2x2m s ILE 913 Ca 0.33 1.30 -0.30 0.00 -1.10 0.00 0.00 60.65 60.87 2x2m s ILE 913 Cb 0.28 -3.96 -0.15 0.00 -1.06 0.00 0.00 42.46 37.57 2x2m s ILE 913 CO 0.05 0.40 0.97 -2.65 -0.10 0.00 0.00 174.94 173.62 2x2m n PRO 914 N 2.78 0.97 0.19 2.79 -0.02 -1.26 -4.86 135.00 135.59 2x2m n PRO 914 Ca -0.06 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2x2m n PRO 914 Cb 0.51 -1.69 0.44 0.00 -0.02 0.00 0.00 33.50 32.73 2x2m n PRO 914 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2x2m h VAL 915 N 2.08 1.18 0.00 -1.45 -1.51 -1.95 -2.54 116.25 112.06 2x2m h VAL 915 Ca -0.39 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 2x2m h VAL 915 Cb 1.36 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 2x2m h VAL 915 CO 0.64 0.25 0.00 0.29 -1.23 0.00 0.00 177.57 177.51 2x2m n LYS 916 N -4.24 0.24 0.00 5.19 5.02 -1.26 -2.25 118.16 120.86 2x2m n LYS 916 Ca -0.02 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.46 2x2m n LYS 916 Cb 0.30 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 2x2m n LYS 916 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2x2m n TRP 917 N -1.28 0.00 -3.15 2.13 8.01 -0.96 -4.99 117.44 117.20 2x2m n TRP 917 Ca 0.08 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.91 2x2m n TRP 917 Cb 0.13 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.37 2x2m n TRP 917 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2x2m s MET 918 N -1.54 4.19 0.66 -0.99 -1.94 -0.95 -4.18 119.30 114.56 2x2m s MET 918 Ca 0.12 0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 54.72 2x2m s MET 918 Cb 0.11 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 34.06 2x2m s MET 918 CO 0.30 0.41 1.16 0.00 -0.01 0.00 0.00 175.02 176.88 2x2m s ALA 919 N -1.51 2.38 0.26 3.03 0.00 -1.26 -4.81 121.76 119.84 2x2m s ALA 919 Ca 0.42 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 2x2m s ALA 919 Cb -0.16 -3.40 0.55 0.00 0.00 0.00 0.00 23.12 20.11 2x2m s ALA 919 CO 0.21 -1.41 1.70 0.97 0.00 0.00 0.00 175.76 177.22 2x2m h ILE 920 N 0.18 0.54 0.00 0.00 2.10 -1.94 0.61 117.51 118.99 2x2m h ILE 920 Ca -0.48 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.32 2x2m h ILE 920 Cb 1.27 0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 2x2m h ILE 920 CO 0.53 0.07 -0.06 -0.33 -1.08 0.00 0.00 178.15 177.28 2x2m h GLU 921 N 0.36 0.00 0.10 2.19 3.07 -1.89 -1.84 114.58 116.57 2x2m h GLU 921 Ca 0.46 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.08 2x2m h GLU 921 Cb 0.80 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.74 2x2m h GLU 921 CO -0.49 0.06 -1.02 0.77 -1.40 0.00 0.00 179.01 176.92 2x2m h SER 922 N 0.00 0.72 -0.01 1.42 0.02 -1.01 -1.09 113.55 113.61 2x2m h SER 922 Ca -0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2x2m h SER 922 Cb 0.63 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2x2m h SER 922 CO 0.01 1.49 0.00 -0.07 -1.14 0.00 0.00 176.83 177.12 2x2m h LEU 923 N 0.06 0.01 0.06 5.07 3.38 -0.85 -2.33 115.31 120.71 2x2m h LEU 923 Ca -0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 2x2m h LEU 923 Cb 1.74 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2x2m h LEU 923 CO 0.20 0.00 -1.37 -0.26 0.09 0.00 0.00 178.44 177.10 2x2m h PHE 924 N 0.01 0.24 -0.01 1.13 -1.00 -1.45 -3.41 116.94 112.44 2x2m h PHE 924 Ca 0.00 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.61 2x2m h PHE 924 Cb -0.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2x2m h PHE 924 CO -0.08 1.54 -0.28 -0.25 -1.61 0.00 0.00 178.31 177.63 2x2m n ASP 925 N -4.10 1.79 -2.09 2.17 8.00 -0.47 -4.99 116.55 116.87 2x2m n ASP 925 Ca -0.28 -1.39 -0.18 0.00 0.71 0.00 0.00 54.79 53.64 2x2m n ASP 925 Cb 0.81 0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 42.28 2x2m n ASP 925 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2x2m n HIS 926 N 0.09 -0.86 -3.62 1.24 8.25 -0.84 -4.90 115.22 114.58 2x2m n HIS 926 Ca 0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.17 2x2m n HIS 926 Cb 0.36 -3.62 -0.09 0.00 1.12 0.00 0.00 29.99 27.76 2x2m n HIS 926 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2x2m s ILE 927 N -2.91 5.34 -0.07 1.59 1.01 -1.01 -2.24 121.20 122.91 2x2m s ILE 927 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2x2m s ILE 927 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2x2m s ILE 927 CO 0.00 0.34 -0.24 -0.31 0.00 0.00 0.00 174.94 174.73 2x2m s TYR 928 N 1.05 2.37 0.33 3.97 1.51 -1.26 -3.53 117.35 121.79 2x2m s TYR 928 Ca 0.09 -0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 55.35 2x2m s TYR 928 Cb -0.14 -1.57 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2x2m s TYR 928 CO 0.05 -0.26 0.44 0.95 -1.11 0.00 0.00 175.55 175.61 2x2m s THR 929 N -0.00 0.00 0.53 -0.71 -4.23 -1.26 -4.43 115.64 105.53 2x2m s THR 929 Ca -0.08 -1.65 0.20 0.00 -1.18 0.00 0.00 61.69 58.99 2x2m s THR 929 Cb -0.15 -2.59 0.32 0.00 1.34 0.00 0.00 72.50 71.43 2x2m s THR 929 CO 0.05 0.00 2.10 0.74 -0.54 0.00 0.00 174.62 176.97 2x2m h THR 930 N 2.15 0.87 0.00 3.99 2.02 -1.92 -1.51 112.91 118.51 2x2m h THR 930 Ca -0.28 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 2x2m h THR 930 Cb 1.24 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2x2m h THR 930 CO 0.39 0.00 -0.35 1.56 0.37 0.00 0.00 175.52 177.49 2x2m h GLN 931 N 0.00 0.00 0.00 6.66 1.08 -1.95 -1.09 115.11 119.82 2x2m h GLN 931 Ca 0.08 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2x2m h GLN 931 Cb 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 2x2m h GLN 931 CO -0.00 0.35 -0.63 0.66 -0.95 0.00 0.00 178.83 178.26 2x2m h SER 932 N 0.00 0.00 -0.53 1.46 4.64 -1.65 -2.23 113.55 115.24 2x2m h SER 932 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2x2m h SER 932 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 2x2m h SER 932 CO 0.04 0.63 0.32 0.44 -0.87 0.00 0.00 176.83 177.39 2x2m h ASP 933 N 0.00 0.63 -0.36 4.97 3.45 -1.05 -1.41 116.42 122.66 2x2m h ASP 933 Ca -0.01 -0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.44 2x2m h ASP 933 Cb 1.32 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.88 2x2m h ASP 933 CO 0.08 0.51 0.08 0.58 -1.57 0.00 0.00 179.24 178.92 2x2m h VAL 934 N 0.71 0.84 -0.55 -1.35 2.07 -1.07 0.29 116.25 117.19 2x2m h VAL 934 Ca 0.19 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.75 2x2m h VAL 934 Cb -0.01 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 2x2m h VAL 934 CO -0.04 0.04 -0.08 -0.25 0.02 0.00 0.00 177.57 177.26 2x2m h TRP 935 N 0.21 -0.19 -0.64 1.57 2.91 -1.19 -0.76 115.95 117.87 2x2m h TRP 935 Ca 0.17 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 2x2m h TRP 935 Cb 0.18 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 2x2m h TRP 935 CO -0.18 -0.20 0.37 0.77 -1.03 0.00 0.00 178.44 178.17 2x2m h SER 936 N 0.04 0.78 -0.74 2.65 0.02 -0.27 -1.48 113.55 114.55 2x2m h SER 936 Ca 0.28 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2x2m h SER 936 Cb 0.43 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 2x2m h SER 936 CO -0.53 0.63 0.49 0.15 -1.14 0.00 0.00 176.83 176.43 2x2m h PHE 937 N 0.87 0.67 -0.75 3.45 3.57 0.65 0.11 116.94 125.51 2x2m h PHE 937 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2x2m h PHE 937 Cb 0.01 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2x2m h PHE 937 CO -0.01 0.31 0.43 0.78 -2.23 0.00 0.00 178.31 177.58 2x2m h GLY 938 N 0.62 1.11 1.04 2.40 0.00 -0.14 0.29 103.07 108.39 2x2m h GLY 938 Ca 0.34 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2x2m h GLY 938 CO -0.12 0.47 -0.10 -2.08 0.00 0.00 0.00 176.54 174.70 2x2m h VAL 939 N 1.03 1.27 -0.25 4.60 2.07 -0.45 -2.30 116.25 122.22 2x2m h VAL 939 Ca 0.27 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2x2m h VAL 939 Cb 0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2x2m h VAL 939 CO -0.05 0.42 0.14 0.25 0.02 0.00 0.00 177.57 178.36 2x2m h LEU 940 N 0.75 0.30 -0.53 2.57 5.85 -0.44 0.31 115.31 124.12 2x2m h LEU 940 Ca 0.12 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2x2m h LEU 940 Cb 0.65 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 2x2m h LEU 940 CO 0.04 0.28 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.03 2x2m h LEU 941 N 0.30 -1.08 -0.61 2.25 3.38 -0.38 0.31 115.31 119.48 2x2m h LEU 941 Ca 0.09 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.40 2x2m h LEU 941 Cb 0.03 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2x2m h LEU 941 CO -0.02 -0.30 0.03 -0.25 0.09 0.00 0.00 178.44 178.00 2x2m h TRP 942 N -0.18 0.02 -0.64 1.13 7.01 -0.77 0.23 115.95 122.76 2x2m h TRP 942 Ca 0.22 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.28 2x2m h TRP 942 Cb 0.54 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 2x2m h TRP 942 CO -0.59 -0.14 0.42 0.93 -2.79 0.00 0.00 178.44 176.28 2x2m h GLU 943 N 0.15 0.81 -0.06 2.65 5.08 0.12 -1.72 114.58 121.60 2x2m h GLU 943 Ca 0.32 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2x2m h GLU 943 Cb 0.52 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x2m h GLU 943 CO -0.50 0.53 -0.07 0.82 -1.00 0.00 0.00 179.01 178.80 2x2m h ILE 944 N 0.83 1.38 0.00 3.13 2.04 0.15 0.31 117.51 125.35 2x2m h ILE 944 Ca 0.24 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 2x2m h ILE 944 Cb -0.04 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2x2m h ILE 944 CO -0.06 0.34 -0.26 0.58 0.00 0.00 0.00 178.15 178.75 2x2m h VAL 945 N -0.29 1.16 -0.01 1.67 2.07 -0.25 -0.99 116.25 119.61 2x2m h VAL 945 Ca 0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2x2m h VAL 945 Cb 0.58 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2x2m h VAL 945 CO 0.02 0.26 -0.05 0.35 0.02 0.00 0.00 177.57 178.16 2x2m n THR 946 N -4.18 0.00 -3.25 2.57 -2.24 -0.68 -4.82 114.28 101.67 2x2m n THR 946 Ca -0.02 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 2x2m n THR 946 Cb 0.32 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2x2m n THR 946 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2x2m n LEU 947 N 0.12 -2.97 -0.01 3.22 4.77 -0.38 -3.82 117.00 117.92 2x2m n LEU 947 Ca 0.17 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2x2m n LEU 947 Cb 0.37 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 2x2m n LEU 947 CO 0.18 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2x2m n GLY 948 N -1.65 1.26 3.72 -0.72 0.00 0.11 -3.24 105.19 104.66 2x2m n GLY 948 Ca -0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2x2m n GLY 948 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x2m s GLY 949 N -2.04 1.60 -0.29 -0.02 0.00 -1.25 -4.88 107.32 100.44 2x2m s GLY 949 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 43.90 2x2m s GLY 949 CO 0.00 -0.02 0.14 -1.31 0.00 0.00 0.00 173.10 171.91 2x2m s ASN 950 N -3.99 5.51 0.73 1.64 0.01 -1.26 -4.81 114.94 112.76 2x2m s ASN 950 Ca 0.68 -0.40 -0.15 0.00 -0.71 0.00 0.00 52.86 52.28 2x2m s ASN 950 Cb -0.12 -2.00 0.04 0.00 0.41 0.00 0.00 41.25 39.58 2x2m s ASN 950 CO 0.55 -0.14 1.20 -2.84 -1.51 0.00 0.00 177.10 174.36 2x2m s PRO 951 N 1.63 2.18 -1.14 -0.60 0.02 -1.26 -2.92 135.00 132.91 2x2m s PRO 951 Ca 0.05 1.75 -0.27 0.00 0.02 0.00 0.00 61.00 62.54 2x2m s PRO 951 Cb -0.16 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.54 2x2m s PRO 951 CO 0.06 -1.80 0.70 0.66 -0.33 0.00 0.00 177.00 176.29 2x2m n TYR 952 N -2.69 -1.60 -2.16 6.54 4.01 -1.26 -4.80 117.16 115.20 2x2m n TYR 952 Ca 0.13 0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 57.72 2x2m n TYR 952 Cb 0.50 -2.93 -0.02 0.00 -0.31 0.00 0.00 39.34 36.58 2x2m n TYR 952 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x2m s PRO 953 N -6.77 4.39 -0.07 -0.72 0.04 -1.15 -1.94 135.00 128.78 2x2m s PRO 953 Ca 0.42 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2x2m s PRO 953 Cb -0.21 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2x2m s PRO 953 CO 0.94 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 178.25 2x2m n GLY 954 N 0.90 0.19 3.48 0.56 0.00 -1.26 -4.99 105.19 104.07 2x2m n GLY 954 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2x2m n GLY 954 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x2m s ILE 955 N -1.31 4.23 0.27 -0.61 1.01 -0.82 -5.08 121.20 118.90 2x2m s ILE 955 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2x2m s ILE 955 Cb 0.00 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 2x2m s ILE 955 CO 0.00 0.40 1.23 -2.84 0.00 0.00 0.00 174.94 173.74 2x2m s PRO 956 N 1.08 4.46 0.36 2.79 0.02 -1.26 -4.92 135.00 137.53 2x2m s PRO 956 Ca 0.03 2.02 0.16 0.00 0.02 0.00 0.00 61.00 63.23 2x2m s PRO 956 Cb -0.14 -3.15 1.08 0.00 0.02 0.00 0.00 34.50 32.31 2x2m s PRO 956 CO 0.02 -0.07 1.70 -1.35 -0.33 0.00 0.00 177.00 176.98 2x2m h PRO 957 N 4.12 0.37 0.00 5.54 0.10 -1.98 0.67 132.00 140.82 2x2m h PRO 957 Ca -0.47 -0.02 -0.03 0.00 0.10 0.00 0.00 66.00 65.58 2x2m h PRO 957 Cb 1.22 -0.08 -0.00 0.00 0.10 0.00 0.00 31.00 32.23 2x2m h PRO 957 CO 0.69 0.25 -0.12 1.05 0.10 0.00 0.00 178.00 179.96 2x2m h GLU 958 N 0.38 0.00 0.00 1.05 9.09 -2.02 -1.49 114.58 121.59 2x2m h GLU 958 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 2x2m h GLU 958 Cb 1.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.72 2x2m h GLU 958 CO -0.48 0.12 0.00 0.00 0.05 0.00 0.00 179.01 178.71 2x2m h ARG 959 N 0.00 0.00 -0.59 1.06 -0.00 -1.23 -3.33 114.38 110.29 2x2m h ARG 959 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.42 2x2m h ARG 959 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.41 2x2m h ARG 959 CO 0.02 0.00 0.14 -0.07 0.00 0.00 0.00 179.97 180.05 2x2m h LEU 960 N 0.00 0.87 -0.29 3.04 4.07 -1.35 -2.37 115.31 119.28 2x2m h LEU 960 Ca 0.00 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.83 2x2m h LEU 960 Cb 0.51 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.95 2x2m h LEU 960 CO 0.00 0.85 -0.45 -0.26 -1.08 0.00 0.00 178.44 177.50 2x2m h PHE 961 N 0.89 -1.37 -0.01 1.13 -1.00 -1.76 0.15 116.94 114.97 2x2m h PHE 961 Ca 0.19 0.06 -0.14 0.00 2.81 0.00 0.00 57.97 60.90 2x2m h PHE 961 Cb 0.33 0.64 -0.02 0.00 3.61 0.00 0.00 35.95 40.51 2x2m h PHE 961 CO 0.02 -0.41 -0.63 -0.97 -1.61 0.00 0.00 178.31 174.71 2x2m h ASN 962 N -0.35 0.04 0.67 2.17 -0.73 -1.77 -1.50 115.58 114.10 2x2m h ASN 962 Ca 0.05 -0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.04 2x2m h ASN 962 Cb 0.50 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 2x2m h ASN 962 CO -0.46 0.66 -0.76 0.25 -0.37 0.00 0.00 177.43 176.75 2x2m h LEU 963 N 0.02 0.08 0.04 0.34 5.85 -1.01 -1.91 115.31 118.71 2x2m h LEU 963 Ca -0.01 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 2x2m h LEU 963 Cb 1.12 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.13 2x2m h LEU 963 CO 0.08 0.80 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.67 2x2m h LEU 964 N 0.04 0.16 -1.31 2.25 4.07 -0.31 0.20 115.31 120.40 2x2m h LEU 964 Ca -0.01 -0.94 -0.07 0.00 0.08 0.00 0.00 57.88 56.93 2x2m h LEU 964 Cb 1.33 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2x2m h LEU 964 CO 0.10 1.08 -0.32 0.07 -1.08 0.00 0.00 178.44 178.29 2x2m h LYS 965 N -0.75 0.03 0.00 1.13 2.10 -1.32 0.68 116.57 118.44 2x2m h LYS 965 Ca -0.04 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2x2m h LYS 965 Cb 1.15 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2x2m h LYS 965 CO 0.05 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.10 2x2m n THR 966 N -4.15 0.00 -0.82 0.07 -2.24 -0.72 -4.88 114.28 101.54 2x2m n THR 966 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2x2m n THR 966 Cb 0.37 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2x2m n THR 966 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2m n GLY 967 N 0.71 0.55 3.80 3.38 0.00 0.23 -5.05 105.19 108.80 2x2m n GLY 967 Ca 0.14 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2x2m n GLY 967 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x2m s HIS 968 N -2.00 2.99 0.09 1.61 3.76 0.05 -5.00 115.29 116.79 2x2m s HIS 968 Ca 0.00 1.57 -0.04 0.00 -0.15 0.00 0.00 55.06 56.44 2x2m s HIS 968 Cb 0.00 -3.07 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 2x2m s HIS 968 CO 0.00 -0.87 0.08 1.03 -0.85 0.00 0.00 174.74 174.13 2x2m s ARG 969 N -3.31 0.80 0.23 1.40 1.81 -1.26 -4.47 118.95 114.15 2x2m s ARG 969 Ca 0.67 -1.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.19 2x2m s ARG 969 Cb -0.16 0.27 -0.11 0.00 -0.45 0.00 0.00 34.95 34.50 2x2m s ARG 969 CO 0.21 -0.22 1.63 -1.64 -0.68 0.00 0.00 175.30 174.61 2x2m s MET 970 N -3.93 4.15 0.97 3.54 -1.94 -1.26 -4.99 119.30 115.83 2x2m s MET 970 Ca 0.11 2.53 -0.10 0.00 -1.71 0.00 0.00 55.69 56.51 2x2m s MET 970 Cb 0.06 -3.08 0.17 0.00 2.01 0.00 0.00 34.83 34.00 2x2m s MET 970 CO -0.07 -0.66 1.13 -1.83 -0.01 0.00 0.00 175.02 173.58 2x2m s GLU 971 N 0.50 0.61 0.01 2.03 1.03 -1.26 -4.92 118.70 116.70 2x2m s GLU 971 Ca 0.69 1.44 -0.30 0.00 0.03 0.00 0.00 54.97 56.83 2x2m s GLU 971 Cb -0.47 -1.69 -0.09 0.00 -0.80 0.00 0.00 34.13 31.08 2x2m s GLU 971 CO 0.38 -2.87 2.00 -2.13 -1.33 0.00 0.00 175.26 171.31 2x2m n ARG 972 N -4.39 2.79 -1.45 -4.83 0.63 -1.26 -5.00 116.66 103.14 2x2m n ARG 972 Ca 0.10 1.01 -0.29 0.00 -0.92 0.00 0.00 57.85 57.74 2x2m n ARG 972 Cb 0.52 -3.03 0.12 0.00 0.45 0.00 0.00 32.46 30.52 2x2m n ARG 972 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2x2m s PRO 973 N 4.65 1.55 0.95 -0.14 0.04 -1.26 -5.04 135.00 135.75 2x2m s PRO 973 Ca 0.90 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 2x2m s PRO 973 Cb -0.43 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.41 2x2m s PRO 973 CO 0.42 -1.98 1.09 -0.51 0.04 0.00 0.00 177.00 176.05 2x2m s ASP 974 N -3.81 2.92 -0.54 6.66 1.01 -1.26 -3.51 116.67 118.13 2x2m s ASP 974 Ca 0.62 1.49 0.00 0.00 0.71 0.00 0.00 52.55 55.38 2x2m s ASP 974 Cb -0.15 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.61 2x2m s ASP 974 CO 0.55 -2.99 0.00 0.59 0.21 0.00 0.00 175.17 173.53 2x2m n ASN 975 N -4.11 -5.78 -4.47 0.27 4.13 -1.26 -4.86 115.26 99.18 2x2m n ASN 975 Ca 0.06 0.13 -0.35 0.00 1.68 0.00 0.00 54.58 56.10 2x2m n ASN 975 Cb 0.55 -3.73 -0.12 0.00 -1.54 0.00 0.00 39.78 34.94 2x2m n ASN 975 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x2m s SER 977 N 1.03 4.53 0.25 0.00 1.04 -1.26 -4.89 113.70 114.41 2x2m s SER 977 Ca 0.02 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 2x2m s SER 977 Cb -0.14 -2.42 0.28 0.00 0.10 0.00 0.00 66.02 63.85 2x2m s SER 977 CO 0.02 -1.99 1.91 1.05 0.98 0.00 0.00 173.24 175.21 2x2m h GLU 978 N -1.10 1.25 -0.37 4.02 9.09 -2.00 -2.55 114.58 122.92 2x2m h GLU 978 Ca -0.45 -0.10 -0.13 0.00 0.05 0.00 0.00 59.36 58.73 2x2m h GLU 978 Cb 1.24 -0.27 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 2x2m h GLU 978 CO 0.54 0.86 -0.28 1.05 0.05 0.00 0.00 179.01 181.23 2x2m h GLU 979 N 1.27 0.84 0.85 1.06 9.09 -1.99 -1.37 114.58 124.33 2x2m h GLU 979 Ca 0.33 -0.41 -0.04 0.00 0.05 0.00 0.00 59.36 59.30 2x2m h GLU 979 Cb -0.08 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.02 2x2m h GLU 979 CO -0.06 1.05 -0.49 1.98 0.05 0.00 0.00 179.01 181.53 2x2m h MET 980 N 0.64 -1.20 -0.56 1.06 -1.53 -1.93 -2.13 114.93 109.27 2x2m h MET 980 Ca 0.07 0.08 0.11 0.00 -3.44 0.00 0.00 59.70 56.52 2x2m h MET 980 Cb 0.85 0.27 -0.09 0.00 -0.55 0.00 0.00 31.60 32.09 2x2m h MET 980 CO 0.07 -0.80 0.07 -0.92 0.14 0.00 0.00 176.91 175.47 2x2m h TYR 981 N -1.25 0.10 -0.87 1.39 3.20 -1.43 0.21 116.97 118.32 2x2m h TYR 981 Ca -0.12 0.04 0.21 0.00 3.14 0.00 0.00 58.73 62.00 2x2m h TYR 981 Cb 0.99 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 39.18 2x2m h TYR 981 CO -0.07 -0.07 0.35 -0.09 -1.64 0.00 0.00 178.16 176.64 2x2m h ARG 982 N 0.19 0.37 -0.19 1.82 9.65 -1.13 -0.21 114.38 124.88 2x2m h ARG 982 Ca 0.29 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 59.03 2x2m h ARG 982 Cb 0.44 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2x2m h ARG 982 CO -0.42 0.24 -0.40 1.25 2.80 0.00 0.00 179.97 183.45 2x2m h LEU 983 N 0.38 0.47 -0.01 3.80 5.85 0.07 -2.40 115.31 123.47 2x2m h LEU 983 Ca 0.53 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2x2m h LEU 983 Cb 0.99 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2x2m h LEU 983 CO -0.53 0.82 0.00 0.24 -0.34 0.00 0.00 178.44 178.64 2x2m h MET 984 N 0.37 0.02 -0.70 1.25 2.86 -0.04 -2.56 114.93 116.14 2x2m h MET 984 Ca 0.03 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 2x2m h MET 984 Cb 0.86 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.44 2x2m h MET 984 CO 0.07 0.20 0.30 -0.07 1.06 0.00 0.00 176.91 178.48 2x2m h LEU 985 N -0.16 0.34 -1.55 1.22 3.38 -1.12 0.12 115.31 117.53 2x2m h LEU 985 Ca 0.00 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2x2m h LEU 985 Cb 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2x2m h LEU 985 CO -0.00 0.18 -0.24 1.56 0.09 0.00 0.00 178.44 180.03 2x2m h GLN 986 N 0.50 0.00 0.00 1.13 4.20 -1.33 0.13 115.11 119.74 2x2m h GLN 986 Ca 0.36 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.03 2x2m h GLN 986 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2x2m h GLN 986 CO -0.32 0.24 -0.17 0.00 -0.67 0.00 0.00 178.83 177.91 2x2m n TRP 988 N -3.44 1.63 -1.81 0.00 8.01 0.43 -3.49 117.44 118.76 2x2m n TRP 988 Ca -0.01 -0.71 -0.41 0.00 -1.31 0.00 0.00 57.50 55.07 2x2m n TRP 988 Cb 0.35 -0.37 -0.00 0.00 -2.01 0.00 0.00 31.31 29.27 2x2m n TRP 988 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 2x2m s LYS 989 N -2.41 4.12 0.33 -0.99 -0.14 -1.00 -4.91 119.74 114.75 2x2m s LYS 989 Ca 0.50 2.56 0.02 0.00 -1.36 0.00 0.00 55.97 57.69 2x2m s LYS 989 Cb 0.36 -2.98 0.60 0.00 -1.68 0.00 0.00 37.83 34.13 2x2m s LYS 989 CO 0.18 -0.53 1.96 0.37 -0.76 0.00 0.00 175.35 176.56 2x2m h GLN 990 N 3.20 0.91 -5.11 1.68 -0.00 -1.94 -3.40 115.11 110.45 2x2m h GLN 990 Ca -0.50 -0.05 -0.63 0.00 -0.00 0.00 0.00 58.65 57.46 2x2m h GLN 990 Cb 1.24 -0.20 -0.15 0.00 0.00 0.00 0.00 27.48 28.36 2x2m h GLN 990 CO 0.66 0.60 -0.30 -1.21 0.00 0.00 0.00 178.83 178.57 2x2m s GLU 991 N -5.81 4.01 0.23 1.69 8.01 -1.26 -4.87 118.70 120.71 2x2m s GLU 991 Ca -0.11 -0.04 -0.06 0.00 0.01 0.00 0.00 54.97 54.78 2x2m s GLU 991 Cb 0.19 -3.65 0.38 0.00 -4.31 0.00 0.00 34.13 26.75 2x2m s GLU 991 CO 0.78 -0.23 1.77 -1.35 0.01 0.00 0.00 175.26 176.24 2x2m h PRO 992 N 8.15 0.58 -0.07 0.39 0.11 -1.96 -1.34 132.00 137.86 2x2m h PRO 992 Ca -0.33 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.77 2x2m h PRO 992 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2x2m h PRO 992 CO 0.63 0.38 0.08 -0.44 -0.21 0.00 0.00 178.00 178.43 2x2m h ASP 993 N 0.59 0.00 0.23 -2.05 3.32 -1.95 -1.46 116.42 115.11 2x2m h ASP 993 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2x2m h ASP 993 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2x2m h ASP 993 CO -0.30 0.00 -0.04 0.29 -1.72 0.00 0.00 179.24 177.47 2x2m n LYS 994 N -3.86 0.87 -2.96 3.56 4.01 -0.51 -4.89 118.16 114.38 2x2m n LYS 994 Ca -0.01 -0.20 -0.29 0.00 -0.51 0.00 0.00 58.31 57.30 2x2m n LYS 994 Cb 0.17 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.17 2x2m n LYS 994 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2x2m s ARG 995 N -2.27 3.69 0.52 1.97 0.52 -0.55 -4.97 118.95 117.86 2x2m s ARG 995 Ca 0.36 0.28 -0.21 0.00 -0.52 0.00 0.00 55.73 55.64 2x2m s ARG 995 Cb 0.21 -2.46 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2x2m s ARG 995 CO 0.42 0.00 1.23 -1.25 0.02 0.00 0.00 175.30 175.72 2x2m s PRO 996 N -3.95 3.35 0.60 3.54 0.04 -1.26 -5.04 135.00 132.28 2x2m s PRO 996 Ca 0.48 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.36 2x2m s PRO 996 Cb -0.10 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2x2m s PRO 996 CO 0.34 -0.93 0.93 0.14 0.04 0.00 0.00 177.00 177.52 2x2m s VAL 997 N -1.50 3.79 0.55 -0.36 -7.23 -1.26 -4.90 120.40 109.49 2x2m s VAL 997 Ca 0.70 0.15 0.24 0.00 -1.81 0.00 0.00 61.98 61.26 2x2m s VAL 997 Cb -0.32 -3.51 0.33 0.00 0.56 0.00 0.00 36.38 33.44 2x2m s VAL 997 CO 0.37 -0.56 2.13 -0.26 -0.31 0.00 0.00 175.10 176.47 2x2m h PHE 998 N -0.24 0.00 -0.21 2.82 0.04 -1.95 -0.51 116.94 116.90 2x2m h PHE 998 Ca -0.45 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.21 2x2m h PHE 998 Cb 1.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 2x2m h PHE 998 CO 0.50 0.00 -0.32 0.00 -0.60 0.00 0.00 178.31 177.88 2x2m h ALA 999 N 1.89 1.06 -0.44 2.45 0.00 -1.94 -1.01 119.26 121.28 2x2m h ALA 999 Ca 0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2x2m h ALA 999 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2x2m h ALA 999 CO -0.00 0.58 -0.28 -0.44 0.00 0.00 0.00 179.25 179.11 2x2m h ASP 1000N 0.37 1.00 0.11 0.00 3.45 -1.48 -1.61 116.42 118.25 2x2m h ASP 1000Ca 0.05 -0.42 0.01 0.00 0.43 0.00 0.00 57.03 57.09 2x2m h ASP 1000Cb 0.75 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2x2m h ASP 1000CO 0.06 1.21 -0.13 0.40 -1.57 0.00 0.00 179.24 179.21 2x2m h ILE 1001N 0.80 0.70 -0.38 0.35 2.04 -1.20 0.11 117.51 119.93 2x2m h ILE 1001Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2x2m h ILE 1001Cb 0.86 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2x2m h ILE 1001CO 0.08 0.00 0.14 0.28 0.00 0.00 0.00 178.15 178.64 2x2m h SER 1002N -0.27 0.15 -0.90 1.72 0.02 -1.13 0.00 113.55 113.14 2x2m h SER 1002Ca 0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2x2m h SER 1002Cb 0.27 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2x2m h SER 1002CO -0.05 0.12 0.53 0.50 -1.14 0.00 0.00 176.83 176.79 2x2m h LYS 1003N 0.30 1.23 -0.44 3.45 3.64 -1.07 0.12 116.57 123.80 2x2m h LYS 1003Ca 0.17 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2x2m h LYS 1003Cb 0.15 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2x2m h LYS 1003CO -0.18 0.87 0.02 -0.44 -2.27 0.00 0.00 179.45 177.46 2x2m h ASP 1004N 1.25 0.66 -0.03 4.20 3.32 -0.21 -0.84 116.42 124.76 2x2m h ASP 1004Ca 0.32 -0.14 -0.24 0.00 0.02 0.00 0.00 57.03 56.99 2x2m h ASP 1004Cb -0.03 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2x2m h ASP 1004CO -0.06 0.71 -0.90 -0.07 -1.72 0.00 0.00 179.24 177.20 2x2m h LEU 1005N 0.66 0.89 -0.47 1.55 3.38 -0.20 -2.87 115.31 118.24 2x2m h LEU 1005Ca 0.14 -0.64 0.09 0.00 0.09 0.00 0.00 57.88 57.55 2x2m h LEU 1005Cb 0.38 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2x2m h LEU 1005CO 0.01 1.44 -0.01 -0.33 0.09 0.00 0.00 178.44 179.64 2x2m h GLU 1006N 0.45 0.10 -0.77 1.13 3.07 -0.81 -0.45 114.58 117.29 2x2m h GLU 1006Ca -0.09 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.86 2x2m h GLU 1006Cb 1.54 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.38 2x2m h GLU 1006CO 0.18 0.06 0.50 0.87 -1.40 0.00 0.00 179.01 179.23 2x2m h LYS 1007N 0.10 0.70 -0.01 2.33 6.56 -1.03 0.63 116.57 125.85 2x2m h LYS 1007Ca 0.23 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 59.56 2x2m h LYS 1007Cb 0.35 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2x2m h LYS 1007CO -0.40 0.46 -0.93 0.52 -2.06 0.00 0.00 179.45 177.04 2x2m h MET 1008N 0.72 0.45 -0.21 3.15 2.07 -1.27 -3.09 114.93 116.75 2x2m h MET 1008Ca 0.35 -0.47 -0.07 0.00 -2.07 0.00 0.00 59.70 57.45 2x2m h MET 1008Cb 0.41 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 2x2m h MET 1008CO -0.13 1.12 -0.16 1.98 1.07 0.00 0.00 176.91 180.79 2x2m h MET 1009N 0.26 0.35 -0.28 1.72 -1.53 -0.03 -2.73 114.93 112.68 2x2m h MET 1009Ca -0.08 -0.10 -0.10 0.00 -3.44 0.00 0.00 59.70 55.98 2x2m h MET 1009Cb 1.57 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 32.57 2x2m h MET 1009CO 0.16 0.51 -0.24 0.28 0.14 0.00 0.00 176.91 177.76 2x2m h VAL 1010N 0.32 1.27 0.00 -5.77 2.07 -0.88 0.26 116.25 113.52 2x2m h VAL 1010Ca 0.06 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2x2m h VAL 1010Cb 0.48 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2x2m h VAL 1010CO 0.03 0.41 0.00 0.11 0.02 0.00 0.00 177.57 178.14 2x2m h LYS 1011N 0.48 0.00 0.00 1.57 6.56 -1.41 -3.34 116.57 120.43 2x2m h LYS 1011Ca 0.07 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.43 2x2m h LYS 1011Cb 0.68 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.30 2x2m h LYS 1011CO 0.05 0.00 -1.88 0.54 -2.06 0.00 0.00 179.45 176.10 2x2m n ARG 1012N -2.33 0.45 0.00 3.15 1.74 -0.91 -5.13 116.66 113.63 2x2m n ARG 1012Ca 0.03 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 2x2m n ARG 1012Cb 0.28 -1.31 0.27 0.00 -1.02 0.00 0.00 32.46 30.68 2x2m n ARG 1012CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65