#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pax s SER 663 N 0.00 6.59 0.10 4.39 0.15 -1.26 -4.62 113.70 119.06 2pax s SER 663 Ca 0.00 2.74 0.23 0.00 0.70 0.00 0.00 55.95 59.62 2pax s SER 663 Cb 0.00 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2pax s SER 663 CO 0.00 -0.74 1.13 0.29 1.20 0.00 0.00 173.24 175.12 2pax n LYS 664 N 2.14 0.36 -1.67 5.44 5.02 -1.26 -4.94 118.16 123.24 2pax n LYS 664 Ca 0.06 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 2pax n LYS 664 Cb 0.40 -1.67 0.06 0.00 -0.02 0.00 0.00 35.03 33.80 2pax n LYS 664 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pax s LEU 665 N -4.31 3.41 0.78 -0.35 1.02 -1.26 -5.00 118.68 112.97 2pax s LEU 665 Ca 0.04 2.20 -0.12 0.00 0.02 0.00 0.00 54.13 56.27 2pax s LEU 665 Cb 0.13 -4.57 0.07 0.00 0.02 0.00 0.00 46.19 41.83 2pax s LEU 665 CO 0.77 -1.87 1.12 0.00 0.02 0.00 0.00 176.35 176.39 2pax s ALA 666 N -2.08 2.07 0.10 4.21 0.00 -1.26 -4.82 121.76 119.98 2pax s ALA 666 Ca 0.71 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 2pax s ALA 666 Cb -0.25 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 2pax s ALA 666 CO 0.41 -1.95 1.74 -0.22 0.00 0.00 0.00 175.76 175.73 2pax h LYS 667 N -1.02 0.01 -1.00 0.00 3.64 -1.98 -2.25 116.57 113.97 2pax h LYS 667 Ca -0.44 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.13 2pax h LYS 667 Cb 1.25 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 2pax h LYS 667 CO 0.49 0.01 0.61 -1.35 -2.27 0.00 0.00 179.45 176.94 2pax h PRO 668 N 0.01 0.67 -0.09 1.90 0.11 -1.99 0.82 132.00 133.44 2pax h PRO 668 Ca 0.02 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 2pax h PRO 668 Cb 0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2pax h PRO 668 CO -0.04 0.44 -0.56 0.82 -0.21 0.00 0.00 178.00 178.46 2pax h ILE 669 N 0.69 1.37 -0.08 4.15 2.04 -1.87 -1.51 117.51 122.30 2pax h ILE 669 Ca 0.57 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2pax h ILE 669 Cb 0.98 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2pax h ILE 669 CO -0.35 0.56 -0.02 1.56 0.00 0.00 0.00 178.15 179.90 2pax h GLN 670 N 0.20 0.15 -0.29 2.37 4.20 -0.32 -1.52 115.11 119.90 2pax h GLN 670 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2pax h GLN 670 Cb 1.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2pax h GLN 670 CO 0.09 0.46 0.18 -0.44 -0.67 0.00 0.00 178.83 178.45 2pax h ASP 671 N -0.18 0.33 -0.19 1.46 3.32 -0.97 -1.66 116.42 118.54 2pax h ASP 671 Ca 0.02 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2pax h ASP 671 Cb 0.41 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pax h ASP 671 CO 0.01 0.25 -0.14 0.25 -1.72 0.00 0.00 179.24 177.89 2pax h LEU 672 N 0.39 0.44 -0.39 1.55 5.85 -1.11 -2.36 115.31 119.69 2pax h LEU 672 Ca 0.10 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2pax h LEU 672 Cb -0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2pax h LEU 672 CO -0.02 0.80 0.20 0.40 -0.34 0.00 0.00 178.44 179.48 2pax h ILE 673 N 0.09 1.16 -0.88 4.05 1.08 -0.70 -1.34 117.51 120.97 2pax h ILE 673 Ca 0.04 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2pax h ILE 673 Cb 0.65 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2pax h ILE 673 CO 0.04 0.16 0.57 0.11 -0.69 0.00 0.00 178.15 178.34 2pax h LYS 674 N 0.49 1.10 -0.56 2.37 1.57 -1.37 -2.06 116.57 118.11 2pax h LYS 674 Ca 0.13 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2pax h LYS 674 Cb 0.08 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2pax h LYS 674 CO -0.02 0.73 -0.03 1.98 -0.57 0.00 0.00 179.45 181.54 2pax h MET 675 N 1.13 1.01 0.00 3.15 4.05 -1.00 -2.18 114.93 121.09 2pax h MET 675 Ca 0.34 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2pax h MET 675 Cb -0.05 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2pax h MET 675 CO -0.10 1.02 0.00 -0.84 0.23 0.00 0.00 176.91 177.22 2pax h ILE 676 N 0.89 0.00 -0.51 1.77 3.07 -1.01 -3.19 117.51 118.53 2pax h ILE 676 Ca 0.16 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.92 2pax h ILE 676 Cb 0.58 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2pax h ILE 676 CO 0.03 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.62 2pax n PHE 677 N -2.56 0.68 -1.86 0.16 3.72 -0.80 -4.61 117.46 112.19 2pax n PHE 677 Ca 0.05 -0.45 -0.42 0.00 -0.05 0.00 0.00 57.45 56.57 2pax n PHE 677 Cb 0.46 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 2pax n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pax s ASP 678 N -1.05 6.31 0.35 4.37 2.15 -0.83 -4.88 116.67 123.09 2pax s ASP 678 Ca 0.36 2.14 0.09 0.00 0.43 0.00 0.00 52.55 55.57 2pax s ASP 678 Cb 0.19 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.93 2pax s ASP 678 CO 0.25 -1.23 1.81 0.58 -0.17 0.00 0.00 175.17 176.41 2pax h VAL 679 N 6.02 1.25 -0.20 1.11 2.07 -1.93 -2.92 116.25 121.64 2pax h VAL 679 Ca -0.41 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 2pax h VAL 679 Cb 1.20 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2pax h VAL 679 CO 0.96 0.35 -0.29 -0.08 0.02 0.00 0.00 177.57 178.54 2pax h GLU 680 N 0.16 0.40 -0.45 1.57 4.81 -2.00 -2.44 114.58 116.63 2pax h GLU 680 Ca 0.02 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 2pax h GLU 680 Cb 0.61 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2pax h GLU 680 CO 0.04 0.65 -0.24 0.77 -0.73 0.00 0.00 179.01 179.51 2pax h SER 681 N 0.35 0.97 -0.67 1.04 0.02 -1.92 -1.54 113.55 111.80 2pax h SER 681 Ca 0.05 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2pax h SER 681 Cb 0.69 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2pax h SER 681 CO 0.05 1.16 0.41 0.24 -1.14 0.00 0.00 176.83 177.55 2pax h MET 682 N 0.81 0.78 -0.41 3.45 2.86 -1.37 -1.11 114.93 119.94 2pax h MET 682 Ca 0.10 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 2pax h MET 682 Cb 0.81 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2pax h MET 682 CO 0.07 0.52 -0.05 0.87 1.06 0.00 0.00 176.91 179.37 2pax h LYS 683 N 0.80 0.76 -0.43 1.72 1.57 -1.29 -2.46 116.57 117.23 2pax h LYS 683 Ca 0.28 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2pax h LYS 683 Cb 0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2pax h LYS 683 CO -0.12 0.87 0.16 -0.22 -0.57 0.00 0.00 179.45 179.56 2pax h LYS 684 N 0.58 0.32 -0.44 3.15 3.64 -0.97 -0.15 116.57 122.71 2pax h LYS 684 Ca 0.11 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2pax h LYS 684 Cb 0.56 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2pax h LYS 684 CO 0.03 0.21 0.10 0.00 -2.27 0.00 0.00 179.45 177.52 2pax h ALA 685 N 1.27 0.49 -0.47 5.00 0.00 -1.00 -0.24 119.26 124.32 2pax h ALA 685 Ca 0.20 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2pax h ALA 685 Cb 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pax h ALA 685 CO -0.20 -0.30 -0.09 0.52 0.00 0.00 0.00 179.25 179.18 2pax h MET 686 N 0.23 0.83 -0.41 0.00 2.86 -1.00 -2.06 114.93 115.38 2pax h MET 686 Ca 0.21 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2pax h MET 686 Cb 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2pax h MET 686 CO -0.27 0.89 -0.08 0.28 1.06 0.00 0.00 176.91 178.78 2pax h VAL 687 N 0.75 1.25 0.00 -2.22 2.07 -0.36 -1.01 116.25 116.73 2pax h VAL 687 Ca 0.13 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2pax h VAL 687 Cb 0.58 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2pax h VAL 687 CO 0.04 0.37 -0.30 -0.33 0.02 0.00 0.00 177.57 177.37 2pax h GLU 688 N 0.65 0.00 -0.06 1.57 5.08 -0.60 -0.89 114.58 120.33 2pax h GLU 688 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pax h GLU 688 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2pax h GLU 688 CO 0.03 0.30 0.00 1.19 -1.00 0.00 0.00 179.01 179.53 2pax n PHE 689 N -3.97 0.07 -1.83 4.33 3.72 -0.82 -4.90 117.46 114.07 2pax n PHE 689 Ca -0.02 -0.04 -0.10 0.00 -0.05 0.00 0.00 57.45 57.25 2pax n PHE 689 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 2pax n PHE 689 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2pax n GLU 690 N -0.27 -0.76 -2.33 -1.08 1.02 -0.34 -5.01 120.64 111.86 2pax n GLU 690 Ca 0.17 0.64 -0.33 0.00 -0.02 0.00 0.00 57.16 57.62 2pax n GLU 690 Cb 0.21 -4.64 -0.02 0.00 -0.02 0.00 0.00 31.44 26.98 2pax n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pax s ILE 691 N -2.45 3.87 -0.61 -3.67 1.09 -0.43 -1.21 121.20 117.78 2pax s ILE 691 Ca 0.00 1.02 -0.20 0.00 -1.10 0.00 0.00 60.65 60.37 2pax s ILE 691 Cb 0.00 -3.45 0.09 0.00 -1.06 0.00 0.00 42.46 38.04 2pax s ILE 691 CO 0.00 -0.39 0.80 -0.62 -0.10 0.00 0.00 174.94 174.63 2pax s ASP 692 N -2.41 6.18 0.38 3.58 -1.08 0.82 -4.38 116.67 119.77 2pax s ASP 692 Ca 0.65 -1.25 0.28 0.00 -0.52 0.00 0.00 52.55 51.70 2pax s ASP 692 Cb -0.16 -2.35 1.26 0.00 -1.46 0.00 0.00 42.92 40.22 2pax s ASP 692 CO 0.28 -1.23 1.83 -0.07 0.52 0.00 0.00 175.17 176.50 2pax h LEU 693 N 10.48 0.00 0.13 -1.34 3.38 -1.87 0.61 115.31 126.70 2pax h LEU 693 Ca -0.29 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.43 2pax h LEU 693 Cb 1.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.86 2pax h LEU 693 CO 1.13 0.00 -1.07 1.56 0.09 0.00 0.00 178.44 180.15 2pax h GLN 694 N 0.00 0.49 0.01 1.13 1.08 -1.97 -3.18 115.11 112.66 2pax h GLN 694 Ca 0.00 -0.70 -0.27 0.00 -1.45 0.00 0.00 58.65 56.23 2pax h GLN 694 Cb 0.29 0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2pax h GLN 694 CO 0.00 1.31 -1.48 0.87 -0.95 0.00 0.00 178.83 178.58 2pax h LYS 695 N 0.01 0.01 -3.02 1.46 1.79 -1.87 -3.42 116.57 111.54 2pax h LYS 695 Ca -0.17 -0.02 -0.62 0.00 -2.18 0.00 0.00 60.65 57.66 2pax h LYS 695 Cb 1.80 0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 32.04 2pax h LYS 695 CO 0.20 0.68 -0.67 -1.64 -1.08 0.00 0.00 179.45 176.95 2pax s MET 696 N -2.63 1.95 0.72 3.15 -1.94 0.21 -4.99 119.30 115.77 2pax s MET 696 Ca -0.03 -2.82 -0.11 0.00 -1.71 0.00 0.00 55.69 51.02 2pax s MET 696 Cb 0.09 -2.93 0.02 0.00 2.01 0.00 0.00 34.83 34.02 2pax s MET 696 CO 0.82 -1.25 1.07 -1.25 -0.01 0.00 0.00 175.02 174.41 2pax s PRO 697 N -0.73 2.71 0.36 2.03 0.04 -1.20 -4.25 135.00 133.97 2pax s PRO 697 Ca 0.23 0.79 0.14 0.00 0.04 0.00 0.00 61.00 62.20 2pax s PRO 697 Cb -0.10 -1.98 0.99 0.00 0.04 0.00 0.00 34.50 33.45 2pax s PRO 697 CO -0.11 -1.22 1.75 -0.07 0.04 0.00 0.00 177.00 177.39 2pax h LEU 698 N -0.80 0.57 0.00 -3.56 3.38 -1.99 0.36 115.31 113.28 2pax h LEU 698 Ca -0.45 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2pax h LEU 698 Cb 1.23 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2pax h LEU 698 CO 0.59 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2pax n GLY 699 N -1.39 -1.10 0.10 0.83 0.00 -1.26 -3.41 105.19 98.97 2pax n GLY 699 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2pax n GLY 699 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pax h LYS 700 N 0.00 0.00 -6.30 1.61 3.64 -1.27 -3.47 116.57 110.78 2pax h LYS 700 Ca 0.00 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.74 2pax h LYS 700 Cb 0.29 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2pax h LYS 700 CO 0.00 0.44 0.93 1.28 -2.27 0.00 0.00 179.45 179.83 2pax n LEU 701 N -3.05 3.00 -4.17 5.20 4.77 -1.22 -5.00 117.00 116.53 2pax n LEU 701 Ca -0.06 1.03 -0.16 0.00 -0.03 0.00 0.00 56.01 56.79 2pax n LEU 701 Cb 0.84 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 2pax n LEU 701 CO 0.43 -0.27 -0.43 -0.94 -1.33 0.00 0.00 177.39 174.85 2pax s SER 702 N 2.92 1.48 0.24 -1.43 1.04 -1.26 -5.01 113.70 111.69 2pax s SER 702 Ca 0.90 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 2pax s SER 702 Cb -0.79 -0.01 0.26 0.00 0.10 0.00 0.00 66.02 65.59 2pax s SER 702 CO 0.51 -0.19 1.83 0.11 0.98 0.00 0.00 173.24 176.48 2pax h LYS 703 N 3.89 1.12 -0.82 4.02 1.57 -1.98 -2.20 116.57 122.16 2pax h LYS 703 Ca -0.38 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 2pax h LYS 703 Cb 1.19 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2pax h LYS 703 CO 0.47 0.88 0.48 0.00 -0.57 0.00 0.00 179.45 180.71 2pax h ARG 704 N 1.10 1.12 -0.51 3.15 -0.00 -1.99 -0.14 114.38 117.12 2pax h ARG 704 Ca 0.26 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 2pax h ARG 704 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 2pax h ARG 704 CO -0.03 0.80 0.32 0.37 0.00 0.00 0.00 179.97 181.44 2pax h GLN 705 N 1.13 0.68 -0.41 0.04 4.15 -1.90 -1.76 115.11 117.04 2pax h GLN 705 Ca 0.29 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 2pax h GLN 705 Cb -0.02 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2pax h GLN 705 CO -0.05 0.47 -0.25 0.82 -1.93 0.00 0.00 178.83 177.89 2pax h ILE 706 N 0.69 1.27 0.01 2.39 2.04 -0.91 -2.34 117.51 120.66 2pax h ILE 706 Ca 0.18 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2pax h ILE 706 Cb -0.05 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2pax h ILE 706 CO -0.04 0.47 -0.01 1.56 0.00 0.00 0.00 178.15 180.13 2pax h GLN 707 N 0.73 -0.02 -0.89 2.37 4.20 -0.78 -1.31 115.11 119.42 2pax h GLN 707 Ca 0.09 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2pax h GLN 707 Cb 0.79 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 2pax h GLN 707 CO 0.07 0.00 0.59 0.77 -0.67 0.00 0.00 178.83 179.58 2pax h SER 708 N -0.03 0.97 -0.75 1.46 0.02 -1.30 -2.06 113.55 111.87 2pax h SER 708 Ca -0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2pax h SER 708 Cb 0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2pax h SER 708 CO 0.00 0.68 0.28 0.00 -1.14 0.00 0.00 176.83 176.65 2pax h ALA 709 N 1.47 0.98 -0.25 3.77 0.00 -0.95 -1.39 119.26 122.90 2pax h ALA 709 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pax h ALA 709 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2pax h ALA 709 CO -0.10 0.62 0.17 1.88 0.00 0.00 0.00 179.25 181.82 2pax h TYR 710 N 1.10 0.32 -0.94 0.00 0.05 -0.60 -1.27 116.97 115.64 2pax h TYR 710 Ca 0.25 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.07 2pax h TYR 710 Cb 0.24 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 2pax h TYR 710 CO 0.02 0.21 0.61 0.77 -1.05 0.00 0.00 178.16 178.72 2pax h SER 711 N 0.34 1.01 -0.48 3.88 0.02 -1.14 0.44 113.55 117.63 2pax h SER 711 Ca 0.09 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2pax h SER 711 Cb -0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2pax h SER 711 CO -0.02 0.69 0.10 0.40 -1.14 0.00 0.00 176.83 176.86 2pax h ILE 712 N 1.18 1.24 -0.19 3.27 2.04 -0.94 -1.05 117.51 123.06 2pax h ILE 712 Ca 0.37 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2pax h ILE 712 Cb 0.01 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2pax h ILE 712 CO -0.12 0.31 -0.12 -0.07 0.00 0.00 0.00 178.15 178.15 2pax h LEU 713 N 0.65 0.29 -0.15 1.44 3.38 -0.50 -1.33 115.31 119.10 2pax h LEU 713 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2pax h LEU 713 Cb 0.36 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pax h LEU 713 CO 0.01 0.44 -0.08 -1.13 0.09 0.00 0.00 178.44 177.77 2pax h ASN 714 N 0.29 0.33 -0.31 -0.43 -1.24 -0.67 -1.85 115.58 111.71 2pax h ASN 714 Ca 0.06 -0.42 -0.01 0.00 0.71 0.00 0.00 56.30 56.63 2pax h ASN 714 Cb 0.40 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2pax h ASN 714 CO 0.02 0.69 0.14 -0.33 -1.29 0.00 0.00 177.43 176.66 2pax h GLU 715 N -0.02 0.44 -0.31 6.67 5.08 -0.84 -2.49 114.58 123.12 2pax h GLU 715 Ca 0.03 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2pax h GLU 715 Cb 0.56 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2pax h GLU 715 CO 0.02 0.43 -0.04 -0.24 -1.00 0.00 0.00 179.01 178.18 2pax h VAL 716 N 0.36 1.20 -0.79 3.13 3.04 -1.25 -1.72 116.25 120.22 2pax h VAL 716 Ca 0.10 -0.81 -0.05 0.00 -1.01 0.00 0.00 66.70 64.93 2pax h VAL 716 Cb 0.13 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 2pax h VAL 716 CO -0.01 0.27 0.29 -0.61 -1.01 0.00 0.00 177.57 176.51 2pax h GLN 717 N 0.46 1.19 -0.38 4.17 -0.00 -1.23 -1.64 115.11 117.68 2pax h GLN 717 Ca 0.10 -0.23 -0.07 0.00 -0.00 0.00 0.00 58.65 58.45 2pax h GLN 717 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 2pax h GLN 717 CO 0.01 0.98 -0.02 1.96 0.00 0.00 0.00 178.83 181.76 2pax h GLN 718 N 1.16 0.68 -0.03 1.69 1.08 -0.94 -2.65 115.11 116.10 2pax h GLN 718 Ca 0.26 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 2pax h GLN 718 Cb 0.25 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2pax h GLN 718 CO -0.02 0.79 -0.36 0.00 -0.95 0.00 0.00 178.83 178.30 2pax h ALA 719 N 0.86 1.34 -0.03 3.87 0.00 -1.02 -0.59 119.26 123.70 2pax h ALA 719 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2pax h ALA 719 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2pax h ALA 719 CO 0.02 0.48 -0.15 0.28 0.00 0.00 0.00 179.25 179.89 2pax h VAL 720 N 0.05 1.48 -0.25 0.00 2.07 -1.27 0.83 116.25 119.16 2pax h VAL 720 Ca 0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2pax h VAL 720 Cb 0.67 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2pax h VAL 720 CO 0.05 0.45 0.12 0.28 0.02 0.00 0.00 177.57 178.48 2pax h SER 721 N -0.43 0.33 -0.24 0.57 0.02 -1.40 -3.06 113.55 109.34 2pax h SER 721 Ca -0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2pax h SER 721 Cb 0.80 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2pax h SER 721 CO 0.03 0.37 0.00 0.47 -1.14 0.00 0.00 176.83 176.56 2pax n ASP 722 N -4.81 1.59 -2.67 3.07 9.92 -0.23 -4.95 116.55 118.46 2pax n ASP 722 Ca -0.03 -1.85 -0.13 0.00 -0.53 0.00 0.00 54.79 52.25 2pax n ASP 722 Cb 0.10 -0.16 0.06 0.00 -0.64 0.00 0.00 41.12 40.49 2pax n ASP 722 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pax n GLY 723 N 1.04 -0.11 3.74 0.44 0.00 -0.99 -5.02 105.19 104.30 2pax n GLY 723 Ca 0.13 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2pax n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pax s GLY 724 N -3.75 1.58 0.50 -0.02 0.00 0.28 -4.97 107.32 100.94 2pax s GLY 724 Ca 0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 2pax s GLY 724 CO 0.51 0.20 1.04 1.44 0.00 0.00 0.00 173.10 176.29 2pax n SER 725 N -3.89 1.30 0.20 1.64 7.64 -1.26 -4.88 113.62 114.37 2pax n SER 725 Ca 0.06 0.95 0.05 0.00 1.01 0.00 0.00 58.87 60.94 2pax n SER 725 Cb 0.57 -1.40 0.43 0.00 -1.01 0.00 0.00 64.21 62.81 2pax n SER 725 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2pax h GLU 726 N 1.19 0.00 -0.18 1.43 3.07 -1.97 -1.77 114.58 116.36 2pax h GLU 726 Ca -0.47 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.30 2pax h GLU 726 Cb 1.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 2pax h GLU 726 CO 0.55 0.31 -0.30 0.66 -1.40 0.00 0.00 179.01 178.83 2pax h SER 727 N 0.00 0.35 -0.15 1.42 4.64 -1.99 -0.76 113.55 117.07 2pax h SER 727 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2pax h SER 727 Cb 0.59 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2pax h SER 727 CO 0.04 0.65 0.02 -0.61 -0.87 0.00 0.00 176.83 176.05 2pax h GLN 728 N 0.31 0.24 -0.44 4.77 5.75 -1.69 -0.77 115.11 123.28 2pax h GLN 728 Ca 0.04 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2pax h GLN 728 Cb 0.69 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2pax h GLN 728 CO 0.05 0.44 0.10 0.82 -2.65 0.00 0.00 178.83 177.58 2pax h ILE 729 N 0.01 1.20 -0.27 2.39 2.04 -1.20 -0.11 117.51 121.57 2pax h ILE 729 Ca 0.04 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 2pax h ILE 729 Cb 0.32 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2pax h ILE 729 CO 0.00 0.26 -0.25 0.25 0.00 0.00 0.00 178.15 178.42 2pax h LEU 730 N 0.65 0.68 -0.35 1.44 5.85 -1.00 -1.63 115.31 120.94 2pax h LEU 730 Ca 0.15 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2pax h LEU 730 Cb 0.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2pax h LEU 730 CO -0.00 1.01 0.13 -0.78 -0.34 0.00 0.00 178.44 178.46 2pax h ASP 731 N 0.37 0.48 -0.71 1.25 3.58 -0.65 -1.41 116.42 119.33 2pax h ASP 731 Ca 0.04 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2pax h ASP 731 Cb 0.81 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 2pax h ASP 731 CO 0.06 0.53 0.29 -0.07 -2.88 0.00 0.00 179.24 177.17 2pax h LEU 732 N 0.41 0.99 -0.34 2.28 3.38 -1.03 -1.55 115.31 119.45 2pax h LEU 732 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2pax h LEU 732 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2pax h LEU 732 CO -0.01 0.88 0.18 0.28 0.09 0.00 0.00 178.44 179.86 2pax h SER 733 N 1.05 0.43 -0.73 -0.43 0.02 -0.93 -1.31 113.55 111.65 2pax h SER 733 Ca 0.24 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2pax h SER 733 Cb 0.20 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2pax h SER 733 CO -0.02 0.41 0.28 0.78 -1.14 0.00 0.00 176.83 177.14 2pax h ASN 734 N 0.42 1.03 -0.34 3.07 2.35 -0.97 -1.58 115.58 119.56 2pax h ASN 734 Ca 0.12 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2pax h ASN 734 Cb 0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2pax h ASN 734 CO -0.02 0.92 -0.16 0.03 -1.65 0.00 0.00 177.43 176.55 2pax h ARG 735 N 1.08 0.80 -0.14 0.81 3.08 -1.07 -1.86 114.38 117.08 2pax h ARG 735 Ca 0.25 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pax h ARG 735 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2pax h ARG 735 CO -0.02 0.91 0.05 0.35 -1.07 0.00 0.00 179.97 180.19 2pax h PHE 736 N 0.71 0.22 0.00 3.04 3.57 -0.87 -0.99 116.94 122.62 2pax h PHE 736 Ca 0.11 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pax h PHE 736 Cb 0.67 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2pax h PHE 736 CO 0.04 0.33 -0.02 1.88 -2.23 0.00 0.00 178.31 178.30 2pax h TYR 737 N 0.05 0.00 0.03 0.41 0.05 -1.27 0.63 116.97 116.88 2pax h TYR 737 Ca 0.05 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.56 2pax h TYR 737 Cb 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 2pax h TYR 737 CO -0.01 0.02 -1.42 1.15 -1.05 0.00 0.00 178.16 176.85 2pax h THR 738 N 0.00 1.22 -0.01 -2.88 2.02 -1.15 -3.07 112.91 109.04 2pax h THR 738 Ca -0.00 -2.97 -0.19 0.00 0.77 0.00 0.00 66.41 64.02 2pax h THR 738 Cb 0.46 2.64 0.01 0.00 -1.74 0.00 0.00 68.15 69.53 2pax h THR 738 CO 0.00 0.74 -0.72 0.25 0.37 0.00 0.00 175.52 176.16 2pax h LEU 739 N 0.02 0.65 -7.36 2.58 5.85 -0.78 -3.40 115.31 112.88 2pax h LEU 739 Ca -0.18 -0.74 -0.63 0.00 0.84 0.00 0.00 57.88 57.16 2pax h LEU 739 Cb 1.93 -0.20 -0.40 0.00 0.37 0.00 0.00 40.66 42.35 2pax h LEU 739 CO 0.11 1.31 -0.70 -0.63 -0.34 0.00 0.00 178.44 178.19 2pax s ILE 740 N -3.28 1.93 0.12 4.05 -1.09 0.18 -5.09 121.20 118.03 2pax s ILE 740 Ca -0.12 -2.50 -0.31 0.00 -2.23 0.00 0.00 60.65 55.49 2pax s ILE 740 Cb 0.05 -2.39 -0.11 0.00 -1.58 0.00 0.00 42.46 38.43 2pax s ILE 740 CO 0.85 -0.73 1.85 -2.65 -1.23 0.00 0.00 174.94 173.03 2pax n PRO 741 N 3.88 2.81 -4.20 2.79 -0.02 -1.16 -4.35 135.00 134.76 2pax n PRO 741 Ca 0.04 1.02 -0.25 0.00 -2.02 0.00 0.00 63.50 62.30 2pax n PRO 741 Cb 0.38 -2.92 -0.07 0.00 -0.02 0.00 0.00 33.50 30.87 2pax n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pax s HIS 742 N 2.82 2.90 -0.26 6.00 3.76 -1.26 -0.12 115.29 129.13 2pax s HIS 742 Ca 0.82 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 2pax s HIS 742 Cb -0.48 -1.35 0.07 0.00 1.11 0.00 0.00 32.58 31.94 2pax s HIS 742 CO 0.37 0.55 0.01 0.34 -0.85 0.00 0.00 174.74 175.16 2pax s ASP 743 N -3.34 3.81 -0.09 1.40 2.15 -0.35 -4.57 116.67 115.69 2pax s ASP 743 Ca 0.30 -1.32 0.19 0.00 0.43 0.00 0.00 52.55 52.15 2pax s ASP 743 Cb -0.08 -1.04 0.69 0.00 -0.30 0.00 0.00 42.92 42.18 2pax s ASP 743 CO 0.21 -0.31 1.59 0.49 -0.17 0.00 0.00 175.17 176.99 2pax n PHE 744 N 4.74 1.32 -0.47 -5.34 3.72 -1.26 -4.81 117.46 115.36 2pax n PHE 744 Ca -0.07 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 2pax n PHE 744 Cb 0.44 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2pax n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pax n GLY 745 N 1.17 3.27 0.35 1.37 0.00 -1.26 -1.92 105.19 108.18 2pax n GLY 745 Ca 0.25 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2pax n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pax n MET 746 N 13.82 1.45 -3.99 1.61 2.81 -1.26 -4.88 117.12 126.68 2pax n MET 746 Ca 0.00 -0.69 -0.23 0.00 -1.81 0.00 0.00 57.70 54.97 2pax n MET 746 Cb 0.00 -1.26 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 2pax n MET 746 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2pax s LYS 747 N -1.80 3.34 0.35 0.03 -2.85 -0.81 -5.08 119.74 112.92 2pax s LYS 747 Ca 0.23 -0.76 -0.27 0.00 -1.00 0.00 0.00 55.97 54.17 2pax s LYS 747 Cb 0.12 -2.85 -0.09 0.00 -2.06 0.00 0.00 37.83 32.94 2pax s LYS 747 CO 0.17 0.45 1.10 0.15 0.10 0.00 0.00 175.35 177.33 2pax s LYS 748 N -3.71 4.34 0.04 1.78 -0.14 -1.26 -4.76 119.74 116.03 2pax s LYS 748 Ca 0.34 1.72 -0.30 0.00 -1.36 0.00 0.00 55.97 56.37 2pax s LYS 748 Cb -0.09 -2.86 -0.07 0.00 -1.68 0.00 0.00 37.83 33.13 2pax s LYS 748 CO 0.28 -0.03 1.48 -1.25 -0.76 0.00 0.00 175.35 175.07 2pax s PRO 749 N -1.99 4.26 0.39 -1.68 0.04 -1.26 -4.99 135.00 129.76 2pax s PRO 749 Ca 0.52 2.10 -0.25 0.00 0.04 0.00 0.00 61.00 63.41 2pax s PRO 749 Cb -0.29 -3.53 -0.09 0.00 0.04 0.00 0.00 34.50 30.64 2pax s PRO 749 CO 0.36 -0.61 1.14 -1.25 0.04 0.00 0.00 177.00 176.68 2pax s PRO 750 N 2.30 4.12 0.54 0.56 0.04 -1.26 -5.02 135.00 136.28 2pax s PRO 750 Ca 0.67 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 2pax s PRO 750 Cb -0.35 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 2pax s PRO 750 CO 0.29 -0.24 1.03 -0.51 0.04 0.00 0.00 177.00 177.61 2pax s LEU 751 N -2.44 3.62 -1.46 -3.56 1.43 -1.26 -4.93 118.68 110.09 2pax s LEU 751 Ca 0.56 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.31 2pax s LEU 751 Cb -0.29 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.43 2pax s LEU 751 CO 0.37 -0.88 2.43 0.18 0.23 0.00 0.00 176.35 178.68 2pax n LEU 752 N -1.62 7.65 0.00 1.79 4.77 -1.26 -4.30 117.00 124.03 2pax n LEU 752 Ca 0.08 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.63 2pax n LEU 752 Cb 0.53 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2pax n LEU 752 CO 0.45 1.63 0.47 -1.54 -1.33 0.00 0.00 177.39 177.07 2pax n SER 753 N 4.17 1.85 -4.14 -1.43 3.41 -1.26 -4.89 113.62 111.32 2pax n SER 753 Ca 0.60 -1.90 -0.31 0.00 -0.26 0.00 0.00 58.87 57.00 2pax n SER 753 Cb 0.31 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.09 2pax n SER 753 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pax s ASN 754 N -0.90 2.90 0.52 4.04 3.84 -1.26 -5.02 114.94 119.06 2pax s ASN 754 Ca 0.00 -0.54 0.17 0.00 0.21 0.00 0.00 52.86 52.69 2pax s ASN 754 Cb 0.00 -1.33 1.28 0.00 -0.55 0.00 0.00 41.25 40.64 2pax s ASN 754 CO 0.00 0.07 2.14 -0.07 -2.79 0.00 0.00 177.10 176.45 2pax h LEU 755 N 7.25 0.00 -0.35 3.21 3.38 -1.98 -1.87 115.31 124.95 2pax h LEU 755 Ca -0.30 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.49 2pax h LEU 755 Cb 1.19 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2pax h LEU 755 CO 0.52 0.00 -0.57 -0.33 0.09 0.00 0.00 178.44 178.15 2pax h GLU 756 N 0.00 0.77 -0.52 1.13 5.08 -1.99 -2.28 114.58 116.77 2pax h GLU 756 Ca 0.02 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 2pax h GLU 756 Cb 0.06 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2pax h GLU 756 CO -0.00 1.13 -0.10 -0.92 -1.00 0.00 0.00 179.01 178.12 2pax h TYR 757 N 0.58 1.09 -0.55 4.33 3.20 -1.86 -1.53 116.97 122.23 2pax h TYR 757 Ca 0.01 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.59 2pax h TYR 757 Cb 1.16 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2pax h TYR 757 CO 0.07 1.01 0.08 0.82 -1.64 0.00 0.00 178.16 178.50 2pax h ILE 758 N 0.87 1.24 -0.56 1.81 2.04 -1.33 -1.20 117.51 120.38 2pax h ILE 758 Ca 0.14 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 2pax h ILE 758 Cb 0.65 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2pax h ILE 758 CO 0.05 0.34 -0.08 1.56 0.00 0.00 0.00 178.15 180.02 2pax h GLN 759 N 0.83 1.04 -0.69 2.37 7.50 -1.18 -0.65 115.11 124.34 2pax h GLN 759 Ca 0.17 -0.37 0.03 0.00 0.50 0.00 0.00 58.65 58.98 2pax h GLN 759 Cb 0.39 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.80 2pax h GLN 759 CO 0.01 1.07 0.43 0.00 -1.50 0.00 0.00 178.83 178.84 2pax h ALA 760 N 0.96 0.90 -0.09 3.87 0.00 -0.73 -1.98 119.26 122.18 2pax h ALA 760 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2pax h ALA 760 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pax h ALA 760 CO 0.04 0.21 -0.41 0.87 0.00 0.00 0.00 179.25 179.97 2pax h LYS 761 N 0.85 0.21 -0.33 0.00 1.79 -0.76 -1.93 116.57 116.39 2pax h LYS 761 Ca 0.27 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 2pax h LYS 761 Cb 0.00 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2pax h LYS 761 CO -0.10 0.59 -0.23 0.28 -1.08 0.00 0.00 179.45 178.91 2pax h VAL 762 N 0.17 1.27 -0.41 0.50 2.07 -0.63 -2.61 116.25 116.61 2pax h VAL 762 Ca 0.02 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 2pax h VAL 762 Cb 0.80 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2pax h VAL 762 CO 0.06 0.43 0.03 1.56 0.02 0.00 0.00 177.57 179.67 2pax h GLN 763 N 0.57 0.71 -0.82 1.57 7.50 -0.95 -2.21 115.11 121.48 2pax h GLN 763 Ca 0.08 -0.21 0.09 0.00 0.50 0.00 0.00 58.65 59.12 2pax h GLN 763 Cb 0.70 -0.07 -0.07 0.00 0.05 0.00 0.00 27.48 28.08 2pax h GLN 763 CO 0.05 0.77 0.46 1.98 -1.50 0.00 0.00 178.83 180.60 2pax h MET 764 N 0.55 0.76 -0.37 1.46 4.05 -1.18 -2.02 114.93 118.17 2pax h MET 764 Ca 0.12 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2pax h MET 764 Cb 0.43 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2pax h MET 764 CO 0.01 0.50 -0.15 -0.07 0.23 0.00 0.00 176.91 177.44 2pax h LEU 765 N 0.78 0.67 -0.92 3.39 3.38 -1.11 -0.21 115.31 121.29 2pax h LEU 765 Ca 0.39 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2pax h LEU 765 Cb 0.36 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2pax h LEU 765 CO -0.25 0.84 0.60 0.44 0.09 0.00 0.00 178.44 180.16 2pax h ASP 766 N 0.61 1.03 -0.25 -0.43 3.32 -0.77 -1.67 116.42 118.26 2pax h ASP 766 Ca 0.10 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 2pax h ASP 766 Cb 0.60 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2pax h ASP 766 CO 0.04 0.73 -0.50 0.78 -1.72 0.00 0.00 179.24 178.57 2pax h ASN 767 N 1.21 0.87 0.08 6.45 2.35 -1.12 -3.10 115.58 122.33 2pax h ASN 767 Ca 0.35 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2pax h ASN 767 Cb -0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 2pax h ASN 767 CO -0.09 1.26 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.81 2pax h LEU 768 N 0.53 0.00 -0.92 1.61 3.38 -0.65 -1.39 115.31 117.86 2pax h LEU 768 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pax h LEU 768 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2pax h LEU 768 CO 0.11 0.06 0.35 -0.07 0.09 0.00 0.00 178.44 178.98 2pax h LEU 769 N 0.00 1.03 0.07 1.67 3.38 -1.24 -0.14 115.31 120.08 2pax h LEU 769 Ca -0.00 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.58 2pax h LEU 769 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2pax h LEU 769 CO 0.01 0.89 -1.23 0.44 0.09 0.00 0.00 178.44 178.63 2pax h ASP 770 N 1.11 0.23 -0.44 -0.43 3.32 -1.42 -3.15 116.42 115.65 2pax h ASP 770 Ca 0.26 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2pax h ASP 770 Cb 0.15 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2pax h ASP 770 CO -0.03 1.21 -0.23 0.40 -1.72 0.00 0.00 179.24 178.87 2pax h ILE 771 N 0.04 1.27 -0.86 0.35 2.04 -1.09 -2.10 117.51 117.16 2pax h ILE 771 Ca -0.12 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.38 2pax h ILE 771 Cb 1.91 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 2pax h ILE 771 CO 0.16 0.48 0.55 -0.08 0.00 0.00 0.00 178.15 179.26 2pax h GLU 772 N 0.83 1.05 -0.37 2.37 4.22 -1.10 -1.48 114.58 120.10 2pax h GLU 772 Ca 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 2pax h GLU 772 Cb 0.80 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2pax h GLU 772 CO 0.07 0.69 0.11 0.28 -2.18 0.00 0.00 179.01 177.99 2pax h VAL 773 N 1.08 1.21 -0.30 0.32 2.07 -1.46 -2.14 116.25 117.04 2pax h VAL 773 Ca 0.34 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2pax h VAL 773 Cb 0.00 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2pax h VAL 773 CO -0.12 0.24 0.13 0.00 0.02 0.00 0.00 177.57 177.85 2pax h ALA 774 N 0.96 0.36 -0.54 1.67 0.00 -0.76 -1.60 119.26 119.34 2pax h ALA 774 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pax h ALA 774 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2pax h ALA 774 CO -0.00 -0.26 0.07 -0.92 0.00 0.00 0.00 179.25 178.14 2pax h TYR 775 N 0.28 0.97 -0.94 0.00 3.20 -1.27 -1.73 116.97 117.48 2pax h TYR 775 Ca 0.13 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2pax h TYR 775 Cb 0.07 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.03 2pax h TYR 775 CO -0.11 0.87 0.62 0.77 -1.64 0.00 0.00 178.16 178.67 2pax h SER 776 N 0.79 1.07 -0.37 -2.11 0.02 -1.12 -2.02 113.55 109.81 2pax h SER 776 Ca 0.16 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2pax h SER 776 Cb 0.44 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2pax h SER 776 CO 0.01 0.77 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.01 2pax h LEU 777 N 1.26 0.99 -1.57 5.07 3.38 -1.14 -2.56 115.31 120.75 2pax h LEU 777 Ca 0.35 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pax h LEU 777 Cb -0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 2pax h LEU 777 CO -0.08 1.26 0.23 0.25 0.09 0.00 0.00 178.44 180.19 2pax h LEU 778 N 0.73 0.45 -0.82 1.67 5.85 -0.84 -2.47 115.31 119.88 2pax h LEU 778 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2pax h LEU 778 Cb 1.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2pax h LEU 778 CO 0.10 0.35 -0.32 -2.11 -0.34 0.00 0.00 178.44 176.12 2pax n ARG 779 N -4.45 1.14 0.00 1.25 1.85 -0.80 -4.93 116.66 110.71 2pax n ARG 779 Ca 0.03 -0.82 0.00 0.00 -1.00 0.00 0.00 57.85 56.05 2pax n ARG 779 Cb 0.08 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 2pax n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pax n GLY 780 N 1.36 -1.69 3.48 2.89 0.00 -0.93 -4.77 105.19 105.53 2pax n GLY 780 Ca 0.11 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 2pax n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pax n GLY 781 N 2.50 -0.29 0.12 -0.02 0.00 -1.26 -4.68 105.19 101.56 2pax n GLY 781 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2pax n GLY 781 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pax n ASN 782 N 13.95 2.24 0.19 1.61 4.13 -1.26 -4.75 115.26 131.38 2pax n ASN 782 Ca 0.46 -2.25 0.04 0.00 1.68 0.00 0.00 54.58 54.51 2pax n ASN 782 Cb 0.37 -0.13 0.39 0.00 -1.54 0.00 0.00 39.78 38.87 2pax n ASN 782 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2pax h GLU 783 N 0.29 0.00 -6.20 3.52 9.09 -1.99 -3.45 114.58 115.85 2pax h GLU 783 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 2pax h GLU 783 Cb 0.66 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.77 2pax h GLU 783 CO 0.01 0.35 1.00 -3.47 0.05 0.00 0.00 179.01 176.95 2pax n ASP 784 N -3.98 2.89 0.05 3.06 -0.08 -1.26 -4.86 116.55 112.36 2pax n ASP 784 Ca -0.02 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.40 2pax n ASP 784 Cb 0.40 -1.25 -0.03 0.00 2.34 0.00 0.00 41.12 42.59 2pax n ASP 784 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pax n GLY 785 N 4.33 -1.27 0.00 0.27 0.00 -1.26 -4.17 105.19 103.09 2pax n GLY 785 Ca 0.25 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2pax n GLY 785 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pax n ASP 786 N -2.32 0.00 -4.32 1.61 9.92 -1.26 -4.77 116.55 115.41 2pax n ASP 786 Ca -0.00 0.27 -0.28 0.00 -0.53 0.00 0.00 54.79 54.24 2pax n ASP 786 Cb 0.51 -0.41 -0.14 0.00 -0.64 0.00 0.00 41.12 40.45 2pax n ASP 786 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2pax s LYS 787 N -2.81 1.55 0.40 -1.24 1.02 -1.26 -4.96 119.74 112.44 2pax s LYS 787 Ca 0.15 -1.11 -0.25 0.00 0.02 0.00 0.00 55.97 54.78 2pax s LYS 787 Cb 0.15 -1.77 -0.08 0.00 -0.52 0.00 0.00 37.83 35.60 2pax s LYS 787 CO 0.37 0.45 1.17 0.34 -0.92 0.00 0.00 175.35 176.75 2pax s ASP 788 N -1.42 6.54 0.28 2.83 -1.08 -1.26 -4.86 116.67 117.70 2pax s ASP 788 Ca 0.10 2.34 0.03 0.00 -0.52 0.00 0.00 52.55 54.50 2pax s ASP 788 Cb -0.10 -2.61 0.67 0.00 -1.46 0.00 0.00 42.92 39.42 2pax s ASP 788 CO 0.03 -0.66 1.73 -0.65 0.52 0.00 0.00 175.17 176.13 2pax h PRO 789 N 2.65 0.50 -0.08 4.34 0.11 -1.97 -1.02 132.00 136.53 2pax h PRO 789 Ca -0.49 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2pax h PRO 789 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2pax h PRO 789 CO 0.63 0.33 -0.01 0.82 -0.21 0.00 0.00 178.00 179.56 2pax h ILE 790 N 0.52 0.93 -0.43 4.15 1.08 -1.99 -1.48 117.51 120.29 2pax h ILE 790 Ca 0.53 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.99 2pax h ILE 790 Cb 0.92 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 2pax h ILE 790 CO -0.46 0.00 0.24 0.44 -0.69 0.00 0.00 178.15 177.69 2pax h ASP 791 N 0.02 0.51 -0.26 1.72 5.19 -1.62 -0.52 116.42 121.46 2pax h ASP 791 Ca 0.04 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2pax h ASP 791 Cb 0.05 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2pax h ASP 791 CO -0.07 0.40 -0.07 0.40 -3.12 0.00 0.00 179.24 176.79 2pax h ILE 792 N 0.59 1.28 -0.07 0.35 2.04 -0.75 -2.43 117.51 118.52 2pax h ILE 792 Ca 0.15 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 2pax h ILE 792 Cb 0.00 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2pax h ILE 792 CO -0.03 0.34 -0.48 0.78 0.00 0.00 0.00 178.15 178.76 2pax h ASN 793 N 0.25 0.18 -0.41 1.72 2.35 -0.89 -2.79 115.58 115.99 2pax h ASN 793 Ca 0.07 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2pax h ASN 793 Cb 0.54 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2pax h ASN 793 CO 0.03 0.64 0.17 0.22 -1.65 0.00 0.00 177.43 176.84 2pax h TYR 794 N 0.14 0.62 0.00 1.19 3.20 -1.02 -2.39 116.97 118.71 2pax h TYR 794 Ca 0.01 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2pax h TYR 794 Cb 0.90 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2pax h TYR 794 CO 0.01 0.53 -0.13 0.93 -1.64 0.00 0.00 178.16 177.87 2pax h GLU 795 N 0.52 0.00 0.00 1.82 5.08 -1.26 -1.24 114.58 119.50 2pax h GLU 795 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pax h GLU 795 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pax h GLU 795 CO -0.01 0.13 -0.02 0.87 -1.00 0.00 0.00 179.01 178.97 2pax h LYS 796 N 0.00 0.00 0.00 2.33 1.57 -1.16 -2.66 116.57 116.65 2pax h LYS 796 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pax h LYS 796 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pax h LYS 796 CO 0.02 0.02 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.83 2pax h LEU 797 N 0.00 0.00 -1.24 2.94 3.38 -1.16 -3.47 115.31 115.76 2pax h LEU 797 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2pax h LEU 797 Cb 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2pax h LEU 797 CO 0.00 0.02 -0.81 0.54 0.09 0.00 0.00 178.44 178.29 2pax n ARG 798 N -3.11 -4.52 -3.73 1.13 1.74 -1.00 -4.00 116.66 103.17 2pax n ARG 798 Ca 0.03 0.51 -0.18 0.00 -0.77 0.00 0.00 57.85 57.44 2pax n ARG 798 Cb 0.49 -5.22 -0.17 0.00 -1.02 0.00 0.00 32.46 26.54 2pax n ARG 798 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2pax s THR 799 N -3.44 -0.03 -0.11 0.55 2.01 -1.26 -1.53 115.64 111.83 2pax s THR 799 Ca 0.51 0.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2pax s THR 799 Cb -0.27 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 2pax s THR 799 CO 0.86 0.16 1.08 -0.62 -0.69 0.00 0.00 174.62 175.41 2pax s ASP 800 N 1.72 7.15 -0.08 3.53 2.15 -0.69 -4.89 116.67 125.56 2pax s ASP 800 Ca -0.01 1.60 0.05 0.00 0.43 0.00 0.00 52.55 54.63 2pax s ASP 800 Cb -0.12 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2pax s ASP 800 CO -0.03 -0.54 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.56 2pax s ILE 801 N 2.32 2.04 0.03 4.11 1.01 -1.26 -1.42 121.20 128.04 2pax s ILE 801 Ca 0.50 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2pax s ILE 801 Cb -0.20 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2pax s ILE 801 CO 0.17 0.56 -0.07 -0.54 0.00 0.00 0.00 174.94 175.06 2pax s LYS 802 N 0.11 0.49 -0.16 2.79 1.02 -0.10 -4.98 119.74 118.91 2pax s LYS 802 Ca -0.12 -0.64 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 2pax s LYS 802 Cb -0.16 -0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 2pax s LYS 802 CO 0.06 0.05 0.82 0.08 -0.92 0.00 0.00 175.35 175.44 2pax s VAL 803 N -1.15 4.90 -0.03 3.17 1.01 -1.26 0.22 120.40 127.25 2pax s VAL 803 Ca -0.08 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 2pax s VAL 803 Cb -0.08 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2pax s VAL 803 CO 0.00 0.05 0.95 -0.69 0.00 0.00 0.00 175.10 175.42 2pax s VAL 804 N 2.02 4.87 -0.06 2.92 1.01 -0.18 -4.88 120.40 126.11 2pax s VAL 804 Ca 0.38 1.99 -0.31 0.00 0.00 0.00 0.00 61.98 64.04 2pax s VAL 804 Cb -0.17 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2pax s VAL 804 CO 0.13 0.14 2.00 -0.67 0.00 0.00 0.00 175.10 176.70 2pax n ASP 805 N 4.12 3.74 0.04 3.32 2.03 -1.26 -4.68 116.55 123.86 2pax n ASP 805 Ca 0.06 0.78 0.22 0.00 0.52 0.00 0.00 54.79 56.37 2pax n ASP 805 Cb 0.51 -1.48 0.70 0.00 -0.72 0.00 0.00 41.12 40.13 2pax n ASP 805 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2pax h LYS 806 N 11.07 0.00 -0.38 -0.67 1.79 -1.95 -1.46 116.57 124.96 2pax h LYS 806 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2pax h LYS 806 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2pax h LYS 806 CO 0.95 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.07 2pax n ASP 807 N -3.65 3.17 -4.62 0.86 9.92 -1.26 -4.65 116.55 116.32 2pax n ASP 807 Ca 0.10 -1.92 -0.28 0.00 -0.53 0.00 0.00 54.79 52.16 2pax n ASP 807 Cb 0.77 -0.25 0.12 0.00 -0.64 0.00 0.00 41.12 41.12 2pax n ASP 807 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2pax s SER 808 N -1.18 4.07 0.24 -2.24 1.04 -0.55 -4.91 113.70 110.16 2pax s SER 808 Ca 0.32 0.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 2pax s SER 808 Cb 0.18 -0.82 0.26 0.00 0.10 0.00 0.00 66.02 65.74 2pax s SER 808 CO 0.25 -2.14 1.64 -0.33 0.98 0.00 0.00 173.24 173.64 2pax h GLU 809 N -1.14 0.61 -0.12 4.02 4.39 -1.94 -2.08 114.58 118.30 2pax h GLU 809 Ca -0.44 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.02 2pax h GLU 809 Cb 1.29 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2pax h GLU 809 CO 0.53 0.84 -0.03 1.49 -1.16 0.00 0.00 179.01 180.68 2pax h GLU 810 N 0.52 -0.00 -0.29 2.33 4.81 -1.94 -1.27 114.58 118.74 2pax h GLU 810 Ca 0.06 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 2pax h GLU 810 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2pax h GLU 810 CO 0.06 -0.00 -0.29 0.00 -0.73 0.00 0.00 179.01 178.06 2pax h ALA 811 N 1.12 0.95 -0.15 2.92 0.00 -1.77 -2.53 119.26 119.80 2pax h ALA 811 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2pax h ALA 811 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pax h ALA 811 CO -0.13 0.61 0.06 0.87 0.00 0.00 0.00 179.25 180.66 2pax h LYS 812 N 0.52 0.23 -0.43 0.00 1.57 -1.00 -0.66 116.57 116.79 2pax h LYS 812 Ca 0.07 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2pax h LYS 812 Cb 0.76 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2pax h LYS 812 CO 0.06 0.32 0.27 0.82 -0.57 0.00 0.00 179.45 180.36 2pax h ILE 813 N 0.08 1.08 -0.56 1.86 2.04 -1.19 -1.20 117.51 119.62 2pax h ILE 813 Ca 0.05 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2pax h ILE 813 Cb 0.18 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2pax h ILE 813 CO -0.00 0.10 0.12 0.40 0.00 0.00 0.00 178.15 178.76 2pax h ILE 814 N 0.55 1.23 0.00 -0.67 2.04 -1.32 -0.47 117.51 118.89 2pax h ILE 814 Ca 0.17 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 2pax h ILE 814 Cb -0.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2pax h ILE 814 CO -0.06 0.32 -0.48 0.11 0.00 0.00 0.00 178.15 178.05 2pax h LYS 815 N 0.84 0.00 -0.36 2.37 1.57 -0.85 -1.52 116.57 118.62 2pax h LYS 815 Ca 0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2pax h LYS 815 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2pax h LYS 815 CO 0.00 0.48 -0.23 0.37 -0.57 0.00 0.00 179.45 179.50 2pax h GLN 816 N 0.00 0.80 -0.77 3.15 5.75 -0.58 -0.97 115.11 122.49 2pax h GLN 816 Ca -0.00 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2pax h GLN 816 Cb 0.87 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 2pax h GLN 816 CO 0.06 1.00 0.33 -0.92 -2.65 0.00 0.00 178.83 176.65 2pax h TYR 817 N 0.59 1.14 0.09 3.99 3.20 -0.84 -0.85 116.97 124.29 2pax h TYR 817 Ca 0.07 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2pax h TYR 817 Cb 0.80 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2pax h TYR 817 CO 0.06 0.85 -0.04 0.28 -1.64 0.00 0.00 178.16 177.67 2pax h VAL 818 N 1.11 1.15 0.43 1.81 2.07 -1.11 -2.99 116.25 118.72 2pax h VAL 818 Ca 0.26 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2pax h VAL 818 Cb 0.18 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2pax h VAL 818 CO -0.03 0.25 -0.22 0.50 0.02 0.00 0.00 177.57 178.09 2pax h LYS 819 N -0.63 -0.58 -0.27 1.57 3.64 -1.12 -3.26 116.57 115.92 2pax h LYS 819 Ca -0.01 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2pax h LYS 819 Cb 0.51 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2pax h LYS 819 CO 0.02 -0.39 -0.10 -0.91 -2.27 0.00 0.00 179.45 175.80 2pax h ASN 820 N -0.60 0.41 -0.47 4.20 2.35 -1.29 -3.18 115.58 117.00 2pax h ASN 820 Ca -0.06 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 2pax h ASN 820 Cb 0.47 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 2pax h ASN 820 CO 0.08 0.56 0.08 0.35 -1.65 0.00 0.00 177.43 176.84 2pax n THR 821 N -4.24 2.12 -2.76 2.81 -2.24 -1.13 -3.55 114.28 105.30 2pax n THR 821 Ca 0.00 -1.09 -0.42 0.00 -2.27 0.00 0.00 64.05 60.27 2pax n THR 821 Cb 0.29 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 2pax n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pax s HIS 822 N -2.31 2.57 0.82 4.78 5.04 -1.20 -2.65 115.29 122.33 2pax s HIS 822 Ca 0.40 -0.34 -0.15 0.00 -1.54 0.00 0.00 55.06 53.44 2pax s HIS 822 Cb 0.31 -4.37 -0.01 0.00 0.04 0.00 0.00 32.58 28.55 2pax s HIS 822 CO 0.11 -1.74 0.44 0.00 -2.34 0.00 0.00 174.74 171.21 2pax n ALA 823 N 8.17 -2.06 0.00 1.58 0.00 -1.26 -4.96 120.51 121.98 2pax n ALA 823 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 2pax n ALA 823 Cb 0.47 -1.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 2pax n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pax h ALA 824 N -0.85 0.00 0.00 0.00 0.00 -1.97 -3.20 119.26 113.24 2pax h ALA 824 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2pax h ALA 824 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2pax h ALA 824 CO 0.39 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.56 2pax n THR 825 N -4.92 0.72 -0.08 0.00 -2.24 -1.26 -2.79 114.28 103.70 2pax n THR 825 Ca -0.08 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2pax n THR 825 Cb 0.18 -0.92 0.29 0.00 -2.10 0.00 0.00 70.33 67.79 2pax n THR 825 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pax n HIS 826 N -1.97 0.84 -1.78 4.78 -0.00 -1.21 -4.69 115.22 111.19 2pax n HIS 826 Ca 0.04 -0.42 -0.40 0.00 -0.00 0.00 0.00 57.72 56.94 2pax n HIS 826 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.25 2pax n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2pax n ASN 827 N 1.50 7.46 -0.53 0.41 3.02 -1.12 -3.85 115.26 122.14 2pax n ASN 827 Ca 0.22 -2.91 0.06 0.00 -0.03 0.00 0.00 54.58 51.92 2pax n ASN 827 Cb 0.58 -1.48 0.09 0.00 -0.61 0.00 0.00 39.78 38.37 2pax n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pax n ALA 828 N 3.12 2.35 -3.52 5.41 0.00 -1.26 -5.00 120.51 121.61 2pax n ALA 828 Ca 0.64 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 2pax n ALA 828 Cb 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2pax n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pax s TYR 829 N -0.96 -0.34 0.44 0.00 -0.85 -1.25 -3.47 117.35 110.92 2pax s TYR 829 Ca 0.17 0.28 0.08 0.00 -0.52 0.00 0.00 57.07 57.08 2pax s TYR 829 Cb 0.10 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.97 2pax s TYR 829 CO 0.15 -0.50 0.49 -0.51 -1.52 0.00 0.00 175.55 173.66 2pax s ASP 830 N -2.25 5.23 -0.07 -0.18 1.01 0.38 -4.92 116.67 115.87 2pax s ASP 830 Ca 0.04 -0.69 0.01 0.00 0.71 0.00 0.00 52.55 52.62 2pax s ASP 830 Cb -0.01 -0.43 0.02 0.00 1.01 0.00 0.00 42.92 43.51 2pax s ASP 830 CO -0.07 -0.80 -0.07 -0.22 0.21 0.00 0.00 175.17 174.23 2pax s LEU 831 N -4.27 1.27 -0.14 1.23 2.96 -1.26 -1.53 118.68 116.93 2pax s LEU 831 Ca 0.51 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2pax s LEU 831 Cb -0.06 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.00 2pax s LEU 831 CO 0.30 -0.07 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.31 2pax s LYS 832 N 1.20 3.08 -0.46 1.98 2.20 0.03 -4.95 119.74 122.81 2pax s LYS 832 Ca -0.06 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 2pax s LYS 832 Cb -0.14 -2.47 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2pax s LYS 832 CO -0.02 0.02 1.23 0.08 -0.36 0.00 0.00 175.35 176.30 2pax s VAL 833 N 0.75 4.09 0.02 4.02 1.01 -1.26 -0.03 120.40 129.00 2pax s VAL 833 Ca -0.08 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 2pax s VAL 833 Cb -0.16 -4.48 -0.32 0.00 0.00 0.00 0.00 36.38 31.43 2pax s VAL 833 CO -0.00 -0.94 0.92 0.58 0.00 0.00 0.00 175.10 175.66 2pax h VAL 834 N 6.32 1.22 -1.89 2.92 2.07 -0.77 -3.48 116.25 122.63 2pax h VAL 834 Ca -0.25 -2.75 -0.02 0.00 0.82 0.00 0.00 66.70 64.50 2pax h VAL 834 Cb 1.08 2.90 -0.21 0.00 -1.52 0.00 0.00 31.29 33.54 2pax h VAL 834 CO 1.12 0.84 0.26 -0.70 0.02 0.00 0.00 177.57 179.11 2pax s GLU 835 N -2.61 0.89 -0.11 1.57 2.56 -1.12 -4.97 118.70 114.92 2pax s GLU 835 Ca -0.10 0.41 0.03 0.00 0.00 0.00 0.00 54.97 55.32 2pax s GLU 835 Cb 0.06 0.42 0.01 0.00 2.00 0.00 0.00 34.13 36.62 2pax s GLU 835 CO 0.90 -0.24 -0.19 0.42 -0.56 0.00 0.00 175.26 175.58 2pax s ILE 836 N -0.75 1.77 -0.06 -3.70 1.01 -1.26 -0.09 121.20 118.12 2pax s ILE 836 Ca -0.06 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.81 2pax s ILE 836 Cb -0.01 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2pax s ILE 836 CO 0.05 0.49 -0.20 -0.36 0.00 0.00 0.00 174.94 174.92 2pax s PHE 837 N 0.66 2.54 -0.25 3.97 0.08 0.97 -1.01 117.98 124.94 2pax s PHE 837 Ca -0.12 -0.48 -0.17 0.00 0.12 0.00 0.00 56.93 56.27 2pax s PHE 837 Cb -0.16 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2pax s PHE 837 CO 0.03 -0.05 0.49 0.50 -0.10 0.00 0.00 175.22 176.09 2pax s ARG 838 N -0.38 4.08 0.05 0.44 6.06 0.13 -0.57 118.95 128.76 2pax s ARG 838 Ca 0.03 0.29 0.09 0.00 -2.50 0.00 0.00 55.73 53.64 2pax s ARG 838 Cb -0.12 -3.64 -0.03 0.00 0.06 0.00 0.00 34.95 31.22 2pax s ARG 838 CO 0.02 -0.31 -0.26 0.96 -2.50 0.00 0.00 175.30 173.21 2pax s ILE 839 N 2.18 2.17 -0.29 4.11 -4.36 -0.32 -0.93 121.20 123.77 2pax s ILE 839 Ca 0.20 -1.39 -0.04 0.00 -0.26 0.00 0.00 60.65 59.17 2pax s ILE 839 Cb -0.16 -1.85 0.10 0.00 1.25 0.00 0.00 42.46 41.81 2pax s ILE 839 CO 0.09 0.36 0.15 -0.70 0.24 0.00 0.00 174.94 175.08 2pax s GLU 840 N -1.27 0.21 0.28 0.37 2.56 -0.51 -4.34 118.70 116.00 2pax s GLU 840 Ca 0.12 -0.47 -0.29 0.00 0.00 0.00 0.00 54.97 54.33 2pax s GLU 840 Cb -0.10 -1.10 -0.10 0.00 2.00 0.00 0.00 34.13 34.84 2pax s GLU 840 CO 0.02 -1.02 1.22 1.03 -0.56 0.00 0.00 175.26 175.96 2pax s ARG 841 N 2.14 4.48 0.20 4.30 0.52 -1.26 -1.71 118.95 127.61 2pax s ARG 841 Ca 0.09 2.02 -0.33 0.00 -0.52 0.00 0.00 55.73 56.99 2pax s ARG 841 Cb -0.16 -3.14 -0.13 0.00 0.52 0.00 0.00 34.95 32.04 2pax s ARG 841 CO -0.36 -0.04 1.56 -1.91 0.02 0.00 0.00 175.30 174.57 2pax n GLU 842 N 1.30 2.27 -0.38 3.54 2.13 -0.58 -2.07 120.64 126.85 2pax n GLU 842 Ca 0.01 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2pax n GLU 842 Cb 0.43 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.57 2pax n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pax n GLY 843 N 3.09 1.08 0.21 8.31 0.00 -1.26 -4.87 105.19 111.75 2pax n GLY 843 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2pax n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pax h GLU 844 N 1.35 0.69 -0.49 1.61 4.81 -1.81 -2.78 114.58 117.95 2pax h GLU 844 Ca 0.00 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 2pax h GLU 844 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2pax h GLU 844 CO 0.00 0.97 0.33 0.77 -0.73 0.00 0.00 179.01 180.35 2pax h SER 845 N 0.42 0.33 -0.03 1.04 0.02 -1.90 -2.15 113.55 111.27 2pax h SER 845 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2pax h SER 845 Cb 0.85 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2pax h SER 845 CO 0.07 0.21 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.28 2pax h GLN 846 N 0.37 0.11 0.00 3.45 5.75 -1.90 -2.29 115.11 120.60 2pax h GLN 846 Ca 0.22 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2pax h GLN 846 Cb 0.38 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2pax h GLN 846 CO -0.05 0.67 0.00 0.07 -2.65 0.00 0.00 178.83 176.86 2pax h ARG 847 N -0.43 0.00 0.00 1.69 0.11 -1.31 -2.24 114.38 112.21 2pax h ARG 847 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pax h ARG 847 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2pax h ARG 847 CO 0.02 0.00 -0.84 -0.92 0.10 0.00 0.00 179.97 178.33 2pax h TYR 848 N 0.00 0.00 -0.92 4.08 3.20 -1.36 -3.41 116.97 118.56 2pax h TYR 848 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 2pax h TYR 848 Cb 0.46 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.55 2pax h TYR 848 CO 0.00 0.00 -0.25 0.87 -1.64 0.00 0.00 178.16 177.14 2pax h LYS 849 N 0.00 -0.00 -0.89 1.82 1.79 -0.79 -0.80 116.57 117.69 2pax h LYS 849 Ca 0.00 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.69 2pax h LYS 849 Cb 0.88 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.48 2pax h LYS 849 CO 0.00 -0.00 0.60 -1.35 -1.08 0.00 0.00 179.45 177.62 2pax h PRO 850 N -0.00 0.28 0.00 3.15 0.11 -1.80 -1.93 132.00 131.80 2pax h PRO 850 Ca 0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2pax h PRO 850 Cb 0.67 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2pax h PRO 850 CO -0.95 0.18 0.00 1.19 -0.21 0.00 0.00 178.00 178.21 2pax n PHE 851 N -4.45 0.00 0.39 0.65 3.72 -0.30 -2.95 117.46 114.52 2pax n PHE 851 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2pax n PHE 851 Cb 0.77 -0.27 0.52 0.00 -0.94 0.00 0.00 39.48 39.56 2pax n PHE 851 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2pax h LYS 852 N 0.00 0.00 0.00 -1.08 1.57 -1.45 -1.61 116.57 114.00 2pax h LYS 852 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2pax h LYS 852 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2pax h LYS 852 CO 0.00 0.00 -0.24 1.96 -0.57 0.00 0.00 179.45 180.60 2pax h GLN 853 N 0.00 0.00 -7.10 3.15 1.08 -1.73 -3.45 115.11 107.05 2pax h GLN 853 Ca 0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 2pax h GLN 853 Cb 0.44 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2pax h GLN 853 CO 0.00 0.24 0.38 -0.51 -0.95 0.00 0.00 178.83 177.99 2pax s LEU 854 N -6.64 3.77 0.58 1.46 1.43 -0.61 -5.06 118.68 113.60 2pax s LEU 854 Ca 0.02 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2pax s LEU 854 Cb 0.09 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.83 2pax s LEU 854 CO 0.65 -0.84 0.81 -1.38 0.23 0.00 0.00 176.35 175.81 2pax s HIS 855 N -2.11 2.24 -1.16 0.29 -3.43 -1.26 -4.62 115.29 105.23 2pax s HIS 855 Ca 0.66 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 54.63 2pax s HIS 855 Cb -0.16 -2.67 -0.02 0.00 -1.43 0.00 0.00 32.58 28.31 2pax s HIS 855 CO 0.24 -1.08 0.98 -1.71 -2.00 0.00 0.00 174.74 171.16 2pax n ASN 856 N -2.38 -3.10 -4.66 7.38 5.15 -1.26 -1.60 115.26 114.79 2pax n ASN 856 Ca 0.11 -0.64 -0.38 0.00 -0.60 0.00 0.00 54.58 53.07 2pax n ASN 856 Cb 0.60 -5.14 -0.08 0.00 -0.53 0.00 0.00 39.78 34.63 2pax n ASN 856 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2pax s ARG 857 N -5.14 4.13 0.18 1.20 0.52 -1.26 -1.98 118.95 116.60 2pax s ARG 857 Ca 0.11 0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.51 2pax s ARG 857 Cb -0.01 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2pax s ARG 857 CO 0.73 -0.08 -0.15 -0.65 0.02 0.00 0.00 175.30 175.17 2pax s GLN 858 N 1.45 1.24 -0.51 3.54 -0.21 -0.44 -1.96 119.66 122.77 2pax s GLN 858 Ca 0.17 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 2pax s GLN 858 Cb -0.15 -1.08 0.08 0.00 1.00 0.00 0.00 33.01 32.86 2pax s GLN 858 CO 0.08 0.19 0.56 -1.17 -2.12 0.00 0.00 175.29 172.83 2pax s LEU 859 N -3.03 5.33 0.31 2.90 2.96 -0.28 -0.36 118.68 126.50 2pax s LEU 859 Ca 0.18 -1.19 0.10 0.00 -0.22 0.00 0.00 54.13 53.00 2pax s LEU 859 Cb -0.02 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 2pax s LEU 859 CO 0.05 -0.85 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.45 2pax s LEU 860 N 2.27 3.00 0.15 -0.68 1.43 -0.38 -4.62 118.68 119.84 2pax s LEU 860 Ca 0.10 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2pax s LEU 860 Cb -0.22 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 2pax s LEU 860 CO 0.09 -0.12 0.49 0.26 0.23 0.00 0.00 176.35 177.30 2pax s TRP 861 N -2.45 3.54 -0.16 0.29 0.52 -0.23 -0.98 118.94 119.48 2pax s TRP 861 Ca 0.33 0.89 -0.04 0.00 0.02 0.00 0.00 56.10 57.30 2pax s TRP 861 Cb -0.03 -2.25 0.07 0.00 -1.15 0.00 0.00 33.47 30.11 2pax s TRP 861 CO 0.19 0.42 0.19 -1.58 0.02 0.00 0.00 176.95 176.18 2pax s HIS 862 N -1.55 -0.19 0.14 -1.98 2.46 -0.32 -1.48 115.29 112.37 2pax s HIS 862 Ca 0.39 0.32 0.04 0.00 0.47 0.00 0.00 55.06 56.27 2pax s HIS 862 Cb -0.13 -0.36 -0.04 0.00 -0.13 0.00 0.00 32.58 31.92 2pax s HIS 862 CO 0.20 -0.47 0.17 0.20 -2.47 0.00 0.00 174.74 172.37 2pax s GLY 863 N 2.29 1.80 0.14 1.59 0.00 -1.26 -0.78 107.32 111.10 2pax s GLY 863 Ca 0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.41 2pax s GLY 863 CO -0.09 -1.11 0.84 -0.45 0.00 0.00 0.00 173.10 172.28 2pax s SER 864 N -2.97 -0.30 0.61 1.64 0.15 -1.25 -4.70 113.70 106.87 2pax s SER 864 Ca 0.32 -0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.51 2pax s SER 864 Cb -0.11 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2pax s SER 864 CO 0.25 -0.92 1.18 -0.13 1.20 0.00 0.00 173.24 174.82 2pax s ARG 865 N -3.44 2.92 0.55 5.44 0.52 -1.23 -4.30 118.95 119.42 2pax s ARG 865 Ca 0.08 1.74 0.27 0.00 -0.52 0.00 0.00 55.73 57.30 2pax s ARG 865 Cb -0.02 -1.93 1.61 0.00 0.52 0.00 0.00 34.95 35.13 2pax s ARG 865 CO -0.02 -1.23 2.17 1.79 0.02 0.00 0.00 175.30 178.03 2pax h THR 866 N 0.71 0.62 0.00 0.02 1.35 -1.92 -1.51 112.91 112.17 2pax h THR 866 Ca -0.50 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2pax h THR 866 Cb 1.29 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2pax h THR 866 CO 0.55 0.05 0.00 0.35 -0.25 0.00 0.00 175.52 176.22 2pax n THR 867 N -3.86 0.89 0.62 6.82 -2.24 -1.26 -2.54 114.28 112.71 2pax n THR 867 Ca -0.03 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 2pax n THR 867 Cb 0.14 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2pax n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pax n ASN 868 N -2.01 0.62 0.25 3.42 3.02 -0.57 -4.29 115.26 115.71 2pax n ASN 868 Ca 0.02 -0.31 0.11 0.00 -0.03 0.00 0.00 54.58 54.37 2pax n ASN 868 Cb 0.21 0.87 0.67 0.00 -0.61 0.00 0.00 39.78 40.92 2pax n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2pax h PHE 869 N 0.00 0.00 -0.09 3.10 -1.00 -1.59 -0.06 116.94 117.30 2pax h PHE 869 Ca 0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 2pax h PHE 869 Cb 0.70 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.26 2pax h PHE 869 CO 0.00 0.13 -0.74 0.00 -1.61 0.00 0.00 178.31 176.09 2pax h ALA 870 N 1.87 0.53 -0.17 2.45 0.00 -1.80 -1.14 119.26 121.00 2pax h ALA 870 Ca -0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 2pax h ALA 870 Cb 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pax h ALA 870 CO 0.02 0.75 -0.27 0.78 0.00 0.00 0.00 179.25 180.53 2pax h GLY 871 N 1.12 0.53 0.95 0.00 0.00 -1.60 -1.91 103.07 102.17 2pax h GLY 871 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 2pax h GLY 871 CO 0.13 0.53 0.16 -2.22 0.00 0.00 0.00 176.54 175.14 2pax h ILE 872 N 0.12 1.13 -0.46 2.60 2.04 -1.01 -0.88 117.51 121.05 2pax h ILE 872 Ca 0.02 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2pax h ILE 872 Cb 0.84 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2pax h ILE 872 CO 0.06 0.13 -0.07 -0.07 0.00 0.00 0.00 178.15 178.20 2pax h LEU 873 N 0.35 0.79 0.14 1.44 3.38 -1.22 0.58 115.31 120.77 2pax h LEU 873 Ca 0.10 -0.23 -0.30 0.00 0.09 0.00 0.00 57.88 57.54 2pax h LEU 873 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2pax h LEU 873 CO -0.02 0.90 -1.48 0.77 0.09 0.00 0.00 178.44 178.71 2pax h SER 874 N 0.74 0.46 0.00 -0.43 4.64 -1.26 -3.38 113.55 114.32 2pax h SER 874 Ca 0.13 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2pax h SER 874 Cb 0.56 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2pax h SER 874 CO 0.03 1.48 -1.02 0.00 -0.87 0.00 0.00 176.83 176.45 2pax n GLN 875 N -3.51 1.47 -0.02 4.77 1.13 -0.34 -4.98 117.38 115.89 2pax n GLN 875 Ca -0.15 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 2pax n GLN 875 Cb 1.05 -1.28 -0.00 0.00 0.11 0.00 0.00 30.24 30.12 2pax n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pax n GLY 876 N 1.43 -1.74 3.77 1.08 0.00 0.20 -4.81 105.19 105.12 2pax n GLY 876 Ca 0.01 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 2pax n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pax s LEU 877 N -4.12 4.39 0.05 0.99 1.43 -1.26 -4.58 118.68 115.58 2pax s LEU 877 Ca 0.00 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.50 2pax s LEU 877 Cb 0.00 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2pax s LEU 877 CO 0.00 -0.43 -0.03 0.00 0.23 0.00 0.00 176.35 176.12 2pax s ARG 878 N -1.84 0.61 0.39 1.70 1.70 -1.26 -4.92 118.95 115.34 2pax s ARG 878 Ca 0.50 -1.21 -0.14 0.00 -0.47 0.00 0.00 55.73 54.41 2pax s ARG 878 Cb -0.34 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.18 2pax s ARG 878 CO 0.43 -0.11 0.80 0.96 -1.08 0.00 0.00 175.30 176.30 2pax s ILE 879 N -3.90 4.68 0.60 4.99 -0.00 -1.26 -4.85 121.20 121.46 2pax s ILE 879 Ca 0.07 0.89 -0.19 0.00 -0.00 0.00 0.00 60.65 61.42 2pax s ILE 879 Cb 0.08 -3.67 -0.04 0.00 -0.00 0.00 0.00 42.46 38.83 2pax s ILE 879 CO -0.10 -0.41 1.18 0.00 -0.00 0.00 0.00 174.94 175.61 2pax n ALA 880 N -0.95 0.86 -0.92 2.27 0.00 -1.26 -4.96 120.51 115.56 2pax n ALA 880 Ca 0.04 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 2pax n ALA 880 Cb 0.54 -2.25 0.18 0.00 0.00 0.00 0.00 19.45 17.92 2pax n ALA 880 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pax s PRO 881 N -2.99 0.48 0.52 0.00 0.04 -1.26 -4.90 135.00 126.89 2pax s PRO 881 Ca 0.77 0.92 0.29 0.00 0.04 0.00 0.00 61.00 63.02 2pax s PRO 881 Cb -0.41 -1.71 1.42 0.00 0.04 0.00 0.00 34.50 33.84 2pax s PRO 881 CO 0.45 -2.80 1.91 -1.35 0.04 0.00 0.00 177.00 175.25 2pax h PRO 882 N -1.96 0.04 0.00 0.56 0.11 -2.02 -2.23 132.00 126.50 2pax h PRO 882 Ca -0.52 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2pax h PRO 882 Cb 1.30 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2pax h PRO 882 CO 0.51 0.03 -0.56 0.93 -0.21 0.00 0.00 178.00 178.70 2pax h GLU 883 N 0.04 0.00 -6.96 1.05 3.07 -1.92 -3.46 114.58 106.40 2pax h GLU 883 Ca 0.38 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.71 2pax h GLU 883 Cb 1.48 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 29.49 2pax h GLU 883 CO -0.02 0.56 0.66 0.00 -1.40 0.00 0.00 179.01 178.81 2pax s ALA 884 N -3.65 3.28 0.33 3.43 0.00 -0.84 -4.02 121.76 120.28 2pax s ALA 884 Ca -0.01 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.02 2pax s ALA 884 Cb 0.12 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2pax s ALA 884 CO 0.75 -0.98 1.13 -1.25 0.00 0.00 0.00 175.76 175.41 2pax s PRO 885 N -2.30 4.43 0.51 0.00 0.04 -1.26 -4.89 135.00 131.52 2pax s PRO 885 Ca 0.58 1.82 0.25 0.00 0.04 0.00 0.00 61.00 63.69 2pax s PRO 885 Cb -0.41 -2.98 1.39 0.00 0.04 0.00 0.00 34.50 32.54 2pax s PRO 885 CO 0.53 0.01 2.07 0.28 0.04 0.00 0.00 177.00 179.93 2pax h VAL 886 N 2.81 0.69 0.00 -0.36 2.07 -1.94 -2.28 116.25 117.24 2pax h VAL 886 Ca -0.48 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2pax h VAL 886 Cb 1.22 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2pax h VAL 886 CO 0.65 0.12 -0.30 0.74 0.02 0.00 0.00 177.57 178.81 2pax h THR 887 N 0.00 0.95 0.00 2.57 2.02 -1.95 -2.96 112.91 113.54 2pax h THR 887 Ca -0.00 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2pax h THR 887 Cb 0.30 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2pax h THR 887 CO 0.02 0.29 0.00 0.61 0.37 0.00 0.00 175.52 176.81 2pax n GLY 888 N -0.33 -0.56 2.97 2.16 0.00 -0.86 -4.60 105.19 103.97 2pax n GLY 888 Ca -0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 2pax n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pax s TYR 889 N -2.71 1.01 0.21 1.61 1.51 -1.12 -4.88 117.35 112.98 2pax s TYR 889 Ca 0.05 -0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 2pax s TYR 889 Cb 0.04 -0.77 0.28 0.00 -0.11 0.00 0.00 41.96 41.39 2pax s TYR 889 CO 0.10 -0.18 1.64 1.98 -1.11 0.00 0.00 175.55 177.98 2pax h MET 890 N 6.81 0.04 -0.35 -0.62 4.05 -1.85 -2.40 114.93 120.61 2pax h MET 890 Ca -0.34 -0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 58.85 2pax h MET 890 Cb 1.17 -0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.81 2pax h MET 890 CO 0.48 0.03 -0.35 1.19 0.23 0.00 0.00 176.91 178.49 2pax n PHE 891 N -5.38 1.17 -1.32 1.39 3.72 -1.26 -2.50 117.46 113.28 2pax n PHE 891 Ca 0.09 -1.78 0.00 0.00 -0.05 0.00 0.00 57.45 55.71 2pax n PHE 891 Cb 0.35 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2pax n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pax n GLY 892 N -1.02 -2.48 3.50 1.37 0.00 -0.91 -4.07 105.19 101.58 2pax n GLY 892 Ca 0.32 -1.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 2pax n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pax s LYS 893 N -0.48 3.96 0.00 1.61 1.02 -1.26 -4.76 119.74 119.83 2pax s LYS 893 Ca 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 53.76 2pax s LYS 893 Cb 0.00 -5.17 0.00 0.00 -0.52 0.00 0.00 37.83 32.14 2pax s LYS 893 CO 0.00 -1.91 0.00 0.41 -0.92 0.00 0.00 175.35 172.93 2pax n GLY 894 N 4.80 6.06 3.23 -3.33 0.00 -1.26 -4.70 105.19 109.99 2pax n GLY 894 Ca 0.37 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 2pax n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pax s ILE 895 N 0.76 2.38 -0.05 -0.61 1.01 -0.10 -4.62 121.20 119.97 2pax s ILE 895 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2pax s ILE 895 Cb 0.00 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2pax s ILE 895 CO 0.00 0.54 0.24 -0.31 0.00 0.00 0.00 174.94 175.40 2pax s TYR 896 N 0.70 3.61 0.17 3.97 1.51 -1.26 -2.56 117.35 123.49 2pax s TYR 896 Ca -0.09 0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 56.59 2pax s TYR 896 Cb -0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2pax s TYR 896 CO 0.01 0.67 0.09 -0.06 -1.11 0.00 0.00 175.55 175.16 2pax s PHE 897 N -1.15 1.01 0.14 2.71 0.08 -0.24 -4.77 117.98 115.77 2pax s PHE 897 Ca 0.22 -1.31 -0.02 0.00 0.12 0.00 0.00 56.93 55.93 2pax s PHE 897 Cb -0.13 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 2pax s PHE 897 CO 0.11 -0.58 0.10 0.00 -0.10 0.00 0.00 175.22 174.75 2pax s ALA 898 N -4.10 0.75 -0.79 5.36 0.00 -0.55 -1.56 121.76 120.87 2pax s ALA 898 Ca 0.32 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 50.97 2pax s ALA 898 Cb 0.07 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 2pax s ALA 898 CO 0.07 -0.53 0.57 -0.40 0.00 0.00 0.00 175.76 175.47 2pax n ASP 899 N -0.14 1.01 -4.36 0.00 5.68 -1.26 -1.06 116.55 116.42 2pax n ASP 899 Ca -0.05 -1.00 -0.35 0.00 -0.50 0.00 0.00 54.79 52.89 2pax n ASP 899 Cb 0.64 0.61 -0.14 0.00 -1.14 0.00 0.00 41.12 41.10 2pax n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2pax s MET 900 N -1.50 3.46 0.50 0.11 -1.94 -1.26 -4.82 119.30 113.84 2pax s MET 900 Ca 0.07 -0.59 0.22 0.00 -1.71 0.00 0.00 55.69 53.68 2pax s MET 900 Cb 0.08 -3.04 1.27 0.00 2.01 0.00 0.00 34.83 35.15 2pax s MET 900 CO 0.29 -0.13 1.98 -0.24 -0.01 0.00 0.00 175.02 176.91 2pax h VAL 901 N 5.60 0.77 -0.19 -6.03 3.04 -1.79 -1.86 116.25 115.80 2pax h VAL 901 Ca -0.39 -0.05 0.03 0.00 -1.01 0.00 0.00 66.70 65.28 2pax h VAL 901 Cb 1.17 0.61 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 2pax h VAL 901 CO 0.60 0.03 -0.02 0.28 -1.01 0.00 0.00 177.57 177.45 2pax h SER 902 N 0.14 -0.11 -0.16 3.17 0.02 -1.91 0.38 113.55 115.08 2pax h SER 902 Ca 0.28 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2pax h SER 902 Cb 0.91 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2pax h SER 902 CO -0.04 -0.03 0.10 0.50 -1.14 0.00 0.00 176.83 176.23 2pax h LYS 903 N 0.04 0.21 -0.33 3.45 3.64 -1.65 -3.09 116.57 118.84 2pax h LYS 903 Ca 0.09 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2pax h LYS 903 Cb 0.12 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2pax h LYS 903 CO -0.17 0.14 -0.14 0.77 -2.27 0.00 0.00 179.45 177.78 2pax h SER 904 N 0.21 0.69 -1.07 4.20 0.02 -1.55 -3.15 113.55 112.90 2pax h SER 904 Ca 0.06 -0.40 0.29 0.00 -0.84 0.00 0.00 61.79 60.90 2pax h SER 904 Cb -0.02 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.25 2pax h SER 904 CO -0.01 0.94 0.72 0.00 -1.14 0.00 0.00 176.83 177.33 2pax h ALA 905 N 0.78 2.51 0.00 3.77 0.00 -0.87 0.18 119.26 125.62 2pax h ALA 905 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2pax h ALA 905 Cb 0.67 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pax h ALA 905 CO 0.05 -0.90 -0.11 -0.91 0.00 0.00 0.00 179.25 177.38 2pax h ASN 906 N 0.26 0.00 0.42 0.00 2.35 -1.49 -1.99 115.58 115.14 2pax h ASN 906 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 2pax h ASN 906 Cb 1.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.11 2pax h ASN 906 CO -0.20 0.11 -0.06 -1.22 -1.65 0.00 0.00 177.43 174.41 2pax n TYR 907 N -3.69 0.00 0.19 1.19 4.01 0.61 -3.34 117.16 116.14 2pax n TYR 907 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 2pax n TYR 907 Cb 0.22 -0.21 0.34 0.00 -0.31 0.00 0.00 39.34 39.38 2pax n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pax n HIS 909 N -3.53 -2.22 -2.61 0.00 8.25 -1.21 -4.23 115.22 109.66 2pax n HIS 909 Ca -0.00 0.93 -0.23 0.00 -0.26 0.00 0.00 57.72 58.16 2pax n HIS 909 Cb 0.50 -4.90 0.08 0.00 1.12 0.00 0.00 29.99 26.79 2pax n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2pax s THR 910 N -3.42 2.31 0.39 1.59 -4.23 -1.26 -5.04 115.64 105.98 2pax s THR 910 Ca 0.10 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 2pax s THR 910 Cb -0.04 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.16 2pax s THR 910 CO 0.75 0.00 0.76 -0.94 -0.54 0.00 0.00 174.62 174.65 2pax s SER 911 N -4.63 0.18 0.32 3.99 1.04 -0.59 -4.97 113.70 109.04 2pax s SER 911 Ca 0.63 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2pax s SER 911 Cb -0.07 0.85 0.53 0.00 0.10 0.00 0.00 66.02 67.43 2pax s SER 911 CO 0.42 -1.69 1.89 -0.61 0.98 0.00 0.00 173.24 174.24 2pax h GLN 912 N 2.01 0.73 0.00 4.02 -0.00 -1.98 -2.09 115.11 117.80 2pax h GLN 912 Ca -0.33 -0.12 -0.12 0.00 -0.00 0.00 0.00 58.65 58.08 2pax h GLN 912 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.59 2pax h GLN 912 CO 0.42 0.63 -0.56 0.00 0.00 0.00 0.00 178.83 179.33 2pax h ALA 913 N 1.47 0.85 -2.35 3.38 0.00 -2.00 -3.38 119.26 117.23 2pax h ALA 913 Ca 0.17 -0.51 -0.56 0.00 0.00 0.00 0.00 54.91 54.01 2pax h ALA 913 Cb 0.20 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.53 2pax h ALA 913 CO -0.01 0.70 -0.91 0.34 0.00 0.00 0.00 179.25 179.37 2pax s ASP 914 N -6.60 1.73 0.12 0.00 2.15 -0.95 -5.03 116.67 108.08 2pax s ASP 914 Ca 0.00 -2.68 0.27 0.00 0.43 0.00 0.00 52.55 50.57 2pax s ASP 914 Cb 0.11 -0.28 0.99 0.00 -0.30 0.00 0.00 42.92 43.44 2pax s ASP 914 CO 0.74 -0.21 1.82 -0.81 -0.17 0.00 0.00 175.17 176.53 2pax n PRO 915 N 3.27 0.14 -3.38 4.34 -0.04 -0.83 -1.54 135.00 136.96 2pax n PRO 915 Ca 0.23 0.14 -0.38 0.00 -0.04 0.00 0.00 63.50 63.46 2pax n PRO 915 Cb 0.45 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2pax n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pax s ILE 916 N -3.07 5.21 0.28 0.52 -1.09 -1.26 -0.87 121.20 120.92 2pax s ILE 916 Ca 0.11 0.77 0.07 0.00 -2.23 0.00 0.00 60.65 59.37 2pax s ILE 916 Cb 0.15 -3.75 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 2pax s ILE 916 CO 0.54 0.29 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.65 2pax s GLY 917 N 0.83 1.81 0.06 6.18 0.00 -0.19 -4.97 107.32 111.05 2pax s GLY 917 Ca 0.21 -1.89 0.08 0.00 0.00 0.00 0.00 44.72 43.11 2pax s GLY 917 CO 0.08 -1.84 -0.19 1.08 0.00 0.00 0.00 173.10 172.24 2pax s LEU 918 N -3.44 2.60 -0.05 0.66 1.43 -1.26 -0.53 118.68 118.08 2pax s LEU 918 Ca 0.29 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 2pax s LEU 918 Cb 0.04 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.78 2pax s LEU 918 CO 0.12 0.24 0.34 -0.51 0.23 0.00 0.00 176.35 176.77 2pax s ILE 919 N -0.96 0.04 0.07 -0.59 2.07 -0.90 -4.04 121.20 116.89 2pax s ILE 919 Ca 0.15 -0.31 0.05 0.00 -1.41 0.00 0.00 60.65 59.13 2pax s ILE 919 Cb -0.10 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 2pax s ILE 919 CO 0.06 -0.17 -0.03 -0.76 -1.91 0.00 0.00 174.94 172.12 2pax s LEU 920 N -0.85 3.32 -0.21 8.50 1.43 0.04 -0.79 118.68 130.11 2pax s LEU 920 Ca -0.09 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2pax s LEU 920 Cb -0.04 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2pax s LEU 920 CO 0.03 0.20 -0.12 -0.76 0.23 0.00 0.00 176.35 175.94 2pax s LEU 921 N -2.06 2.69 0.09 1.79 1.43 -0.56 -1.17 118.68 120.90 2pax s LEU 921 Ca 0.23 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2pax s LEU 921 Cb -0.11 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2pax s LEU 921 CO 0.15 -0.05 -0.23 -0.83 0.23 0.00 0.00 176.35 175.61 2pax s GLY 922 N 1.34 1.33 -0.25 -3.19 0.00 -0.15 -1.43 107.32 104.97 2pax s GLY 922 Ca 0.03 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.23 2pax s GLY 922 CO -0.08 -1.24 0.82 1.85 0.00 0.00 0.00 173.10 174.45 2pax s GLU 923 N -1.73 4.17 -0.13 2.90 2.12 0.79 -1.25 118.70 125.57 2pax s GLU 923 Ca 0.09 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.36 2pax s GLU 923 Cb -0.10 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.65 2pax s GLU 923 CO 0.04 -0.52 -0.22 0.54 -0.54 0.00 0.00 175.26 174.55 2pax s VAL 924 N 2.84 2.03 -1.02 3.70 0.11 0.51 -1.55 120.40 127.01 2pax s VAL 924 Ca 0.34 -0.97 -0.23 0.00 -2.93 0.00 0.00 61.98 58.19 2pax s VAL 924 Cb -0.15 -1.78 0.05 0.00 -1.53 0.00 0.00 36.38 32.97 2pax s VAL 924 CO 0.08 0.55 1.45 0.00 -3.33 0.00 0.00 175.10 173.84 2pax s ALA 925 N 0.67 2.74 0.04 1.54 0.00 -0.65 -1.33 121.76 124.78 2pax s ALA 925 Ca -0.11 -2.29 -0.16 0.00 0.00 0.00 0.00 51.96 49.40 2pax s ALA 925 Cb -0.16 -4.52 -0.30 0.00 0.00 0.00 0.00 23.12 18.15 2pax s ALA 925 CO 0.02 -3.59 1.08 -0.07 0.00 0.00 0.00 175.76 173.19 2pax h LEU 926 N 12.72 0.83 0.00 0.00 3.38 -1.60 -3.46 115.31 127.18 2pax h LEU 926 Ca 0.20 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2pax h LEU 926 Cb 1.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2pax h LEU 926 CO 1.42 1.58 0.00 0.61 0.09 0.00 0.00 178.44 182.14 2pax n GLY 927 N 1.41 3.10 3.62 0.83 0.00 -0.63 -3.44 105.19 110.08 2pax n GLY 927 Ca -0.14 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2pax n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pax s ASN 928 N -4.00 6.80 0.05 1.61 0.01 -1.26 -4.72 114.94 113.42 2pax s ASN 928 Ca 0.00 0.82 -0.22 0.00 -0.71 0.00 0.00 52.86 52.76 2pax s ASN 928 Cb 0.00 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 2pax s ASN 928 CO 0.00 -0.85 0.64 -0.04 -1.51 0.00 0.00 177.10 175.34 2pax s MET 929 N 3.53 4.35 -0.62 -0.60 -1.94 -1.26 -0.89 119.30 121.88 2pax s MET 929 Ca 0.41 0.85 -0.20 0.00 -1.71 0.00 0.00 55.69 55.04 2pax s MET 929 Cb -0.12 -3.31 0.09 0.00 2.01 0.00 0.00 34.83 33.50 2pax s MET 929 CO 0.17 0.45 0.81 -0.47 -0.01 0.00 0.00 175.02 175.97 2pax s TYR 930 N -0.53 2.86 -0.01 -0.03 5.04 -0.18 -4.89 117.35 119.61 2pax s TYR 930 Ca 0.32 -0.79 -0.30 0.00 -2.44 0.00 0.00 57.07 53.86 2pax s TYR 930 Cb -0.20 -4.13 -0.03 0.00 0.35 0.00 0.00 41.96 37.95 2pax s TYR 930 CO 0.20 -1.44 1.06 -1.21 -1.34 0.00 0.00 175.55 172.82 2pax s GLU 931 N 3.25 4.48 0.09 4.97 2.02 -1.26 -2.18 118.70 130.07 2pax s GLU 931 Ca 0.16 1.52 0.08 0.00 0.02 0.00 0.00 54.97 56.75 2pax s GLU 931 Cb -0.21 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2pax s GLU 931 CO 0.08 -0.20 -0.20 -0.51 0.02 0.00 0.00 175.26 174.45 2pax s LEU 932 N 1.36 2.28 0.00 1.80 1.43 -0.53 -4.95 118.68 120.07 2pax s LEU 932 Ca 0.53 -0.66 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2pax s LEU 932 Cb -0.23 -0.87 -0.11 0.00 0.03 0.00 0.00 46.19 45.01 2pax s LEU 932 CO 0.26 0.06 0.51 0.29 0.23 0.00 0.00 176.35 177.69 2pax n LYS 933 N 1.19 3.11 -3.87 1.70 5.02 -1.26 -0.92 118.16 123.12 2pax n LYS 933 Ca -0.19 -0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 55.93 2pax n LYS 933 Cb 0.54 -1.05 -0.07 0.00 -0.02 0.00 0.00 35.03 34.42 2pax n LYS 933 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pax s ASN 934 N -2.00 0.15 0.82 4.39 4.22 -1.26 -1.49 114.94 119.77 2pax s ASN 934 Ca 0.05 -0.67 -0.15 0.00 -2.14 0.00 0.00 52.86 49.95 2pax s ASN 934 Cb 0.09 0.33 -0.00 0.00 1.28 0.00 0.00 41.25 42.94 2pax s ASN 934 CO 0.44 -0.71 0.53 0.00 -2.04 0.00 0.00 177.10 175.32 2pax n ALA 935 N -0.03 -1.82 -3.18 3.54 0.00 -1.26 -5.03 120.51 112.73 2pax n ALA 935 Ca -0.15 -0.39 0.04 0.00 0.00 0.00 0.00 53.44 52.94 2pax n ALA 935 Cb 0.62 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 2pax n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pax s SER 936 N -1.72 -0.83 -0.96 0.00 0.15 -1.04 -5.06 113.70 104.23 2pax s SER 936 Ca 0.63 0.59 -0.21 0.00 0.70 0.00 0.00 55.95 57.66 2pax s SER 936 Cb -0.29 1.73 -0.11 0.00 -1.71 0.00 0.00 66.02 65.64 2pax s SER 936 CO 0.61 -0.16 1.97 1.41 1.20 0.00 0.00 173.24 178.27 2pax n HIS 937 N 5.41 2.39 -1.72 3.44 8.25 -1.26 -4.01 115.22 127.73 2pax n HIS 937 Ca -0.05 -2.00 -0.43 0.00 -0.26 0.00 0.00 57.72 54.98 2pax n HIS 937 Cb 0.52 -2.01 -0.03 0.00 1.12 0.00 0.00 29.99 29.59 2pax n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2pax n ILE 938 N 6.11 0.24 0.00 1.59 5.41 -1.26 -4.80 119.36 126.66 2pax n ILE 938 Ca 0.49 -0.06 -0.04 0.00 1.00 0.00 0.00 62.75 64.15 2pax n ILE 938 Cb 0.41 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.41 2pax n ILE 938 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2pax n THR 939 N 3.47 0.91 -4.13 1.39 -1.04 -1.26 -4.40 114.28 109.22 2pax n THR 939 Ca 0.14 0.18 -0.36 0.00 -2.04 0.00 0.00 64.05 61.97 2pax n THR 939 Cb 0.34 -1.68 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 2pax n THR 939 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2pax s LYS 940 N -2.16 3.23 -0.16 -2.82 1.02 -1.26 -5.10 119.74 112.49 2pax s LYS 940 Ca -0.07 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 2pax s LYS 940 Cb 0.02 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2pax s LYS 940 CO 0.10 0.73 0.19 -1.17 -0.92 0.00 0.00 175.35 174.28 2pax s LEU 941 N -0.92 4.27 0.36 3.17 2.96 -1.26 -5.06 118.68 122.20 2pax s LEU 941 Ca 0.14 0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 54.17 2pax s LEU 941 Cb -0.12 -2.19 -0.12 0.00 0.50 0.00 0.00 46.19 44.27 2pax s LEU 941 CO 0.03 0.21 1.26 -2.65 -1.32 0.00 0.00 176.35 173.89 2pax n PRO 942 N 3.12 2.02 -1.62 0.98 -0.02 -1.26 -4.88 135.00 133.34 2pax n PRO 942 Ca -0.16 0.71 -0.48 0.00 -2.02 0.00 0.00 63.50 61.55 2pax n PRO 942 Cb 0.53 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2pax n PRO 942 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pax n LYS 943 N 0.43 1.55 -0.24 -0.52 4.76 -1.26 -1.12 118.16 121.77 2pax n LYS 943 Ca 0.05 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2pax n LYS 943 Cb 0.37 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 2pax n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pax n GLY 944 N 2.52 0.98 3.74 0.72 0.00 -1.26 -5.05 105.19 106.84 2pax n GLY 944 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2pax n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pax s LYS 945 N -0.57 3.01 -0.00 1.61 -0.14 -0.28 -4.56 119.74 118.81 2pax s LYS 945 Ca 0.00 -0.46 0.06 0.00 -1.36 0.00 0.00 55.97 54.21 2pax s LYS 945 Cb 0.00 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.24 2pax s LYS 945 CO 0.00 0.67 0.19 0.72 -0.76 0.00 0.00 175.35 176.17 2pax n HIS 946 N 1.58 0.00 -3.83 3.18 8.25 -0.06 -4.82 115.22 119.51 2pax n HIS 946 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 2pax n HIS 946 Cb 0.53 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.57 2pax n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2pax s SER 947 N -2.24 -0.01 0.05 0.41 1.04 -1.22 -4.61 113.70 107.12 2pax s SER 947 Ca -0.00 -1.06 0.08 0.00 0.48 0.00 0.00 55.95 55.45 2pax s SER 947 Cb 0.04 0.82 -0.03 0.00 0.10 0.00 0.00 66.02 66.95 2pax s SER 947 CO 0.26 -1.61 -0.20 -0.69 0.98 0.00 0.00 173.24 171.98 2pax s VAL 948 N -2.66 2.63 -0.22 5.02 1.01 0.07 -1.01 120.40 125.24 2pax s VAL 948 Ca 0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 2pax s VAL 948 Cb -0.05 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.29 2pax s VAL 948 CO 0.11 0.31 0.03 -0.75 0.00 0.00 0.00 175.10 174.80 2pax s LYS 949 N -1.49 0.79 -0.10 2.72 2.20 -0.93 -1.47 119.74 121.46 2pax s LYS 949 Ca 0.14 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2pax s LYS 949 Cb -0.10 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2pax s LYS 949 CO 0.05 -0.69 1.13 0.20 -0.36 0.00 0.00 175.35 175.68 2pax s GLY 950 N 1.76 2.09 0.01 5.54 0.00 0.55 -1.46 107.32 115.81 2pax s GLY 950 Ca 0.00 0.49 -0.27 0.00 0.00 0.00 0.00 44.72 44.94 2pax s GLY 950 CO -0.11 2.15 0.85 1.08 0.00 0.00 0.00 173.10 177.08 2pax s LEU 951 N 2.38 4.39 0.40 0.66 1.43 -0.10 -1.84 118.68 126.01 2pax s LEU 951 Ca 0.52 1.50 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 2pax s LEU 951 Cb -0.22 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2pax s LEU 951 CO 0.19 -0.13 0.24 -0.83 0.23 0.00 0.00 176.35 176.05 2pax s GLY 952 N 0.57 2.22 0.37 -3.19 0.00 -1.26 -4.13 107.32 101.90 2pax s GLY 952 Ca 0.44 -2.00 0.20 0.00 0.00 0.00 0.00 44.72 43.36 2pax s GLY 952 CO 0.24 -1.82 1.61 0.50 0.00 0.00 0.00 173.10 173.63 2pax h LYS 953 N 1.31 0.00 -5.62 2.90 1.57 -0.86 -3.43 116.57 112.44 2pax h LYS 953 Ca -0.42 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.85 2pax h LYS 953 Cb 1.26 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.31 2pax h LYS 953 CO 0.65 0.31 -0.82 0.99 -0.57 0.00 0.00 179.45 180.02 2pax s THR 954 N -3.24 1.33 0.14 -0.16 2.01 -0.45 -1.21 115.64 114.07 2pax s THR 954 Ca 0.03 -1.01 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 2pax s THR 954 Cb 0.08 -1.17 0.07 0.00 0.01 0.00 0.00 72.50 71.49 2pax s THR 954 CO 0.69 0.14 0.62 0.00 -0.69 0.00 0.00 174.62 175.38 2pax s ALA 955 N -0.75 -1.62 0.58 7.40 0.00 -0.53 -4.05 121.76 122.80 2pax s ALA 955 Ca 0.04 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 2pax s ALA 955 Cb -0.08 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2pax s ALA 955 CO 0.01 -0.75 1.27 -2.14 0.00 0.00 0.00 175.76 174.15 2pax s PRO 956 N -3.65 2.99 -0.16 0.00 0.02 -1.26 -0.65 135.00 132.29 2pax s PRO 956 Ca 0.01 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 2pax s PRO 956 Cb -0.01 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 2pax s PRO 956 CO -0.12 -1.24 2.03 0.34 -0.33 0.00 0.00 177.00 177.68 2pax s ASP 957 N -1.31 5.90 0.44 2.53 -1.08 -0.24 -4.77 116.67 118.14 2pax s ASP 957 Ca 0.76 2.02 0.27 0.00 -0.52 0.00 0.00 52.55 55.08 2pax s ASP 957 Cb -0.35 -2.52 1.49 0.00 -1.46 0.00 0.00 42.92 40.08 2pax s ASP 957 CO 0.40 -1.59 1.83 1.55 0.52 0.00 0.00 175.17 177.87 2pax h PRO 958 N 13.03 0.00 -0.35 4.34 0.13 -1.91 -2.23 132.00 145.01 2pax h PRO 958 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2pax h PRO 958 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2pax h PRO 958 CO 0.97 0.00 -0.04 1.15 -0.23 0.00 0.00 178.00 179.85 2pax h THR 959 N 0.00 1.27 -0.00 1.56 2.02 -2.00 -3.22 112.91 112.54 2pax h THR 959 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 2pax h THR 959 Cb 0.14 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2pax h THR 959 CO 0.00 0.35 -0.02 0.00 0.37 0.00 0.00 175.52 176.22 2pax n ALA 960 N -2.41 2.65 -1.66 6.16 0.00 -0.84 -4.94 120.51 119.47 2pax n ALA 960 Ca -0.02 -0.24 -0.47 0.00 0.00 0.00 0.00 53.44 52.72 2pax n ALA 960 Cb 0.31 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2pax n ALA 960 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2pax n THR 961 N -0.87 0.05 -4.49 0.00 -1.04 -1.22 -4.51 114.28 102.19 2pax n THR 961 Ca 0.20 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.95 2pax n THR 961 Cb 0.20 -1.51 -0.05 0.00 -1.82 0.00 0.00 70.33 67.16 2pax n THR 961 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2pax n THR 962 N 3.48 0.00 -4.33 12.58 -1.04 -0.79 -4.94 114.28 119.24 2pax n THR 962 Ca 0.18 -1.86 -0.24 0.00 -2.04 0.00 0.00 64.05 60.08 2pax n THR 962 Cb 0.28 0.31 -0.13 0.00 -1.82 0.00 0.00 70.33 68.97 2pax n THR 962 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2pax s THR 963 N -2.40 1.74 -0.26 12.58 2.01 -1.26 0.61 115.64 128.67 2pax s THR 963 Ca 0.03 -1.52 -0.03 0.00 0.31 0.00 0.00 61.69 60.49 2pax s THR 963 Cb -0.00 -1.57 0.11 0.00 0.01 0.00 0.00 72.50 71.04 2pax s THR 963 CO 0.02 -0.02 0.21 -0.22 -0.69 0.00 0.00 174.62 173.92 2pax s LEU 964 N -1.83 0.08 -1.31 4.42 0.20 -0.01 -4.83 118.68 115.41 2pax s LEU 964 Ca 0.07 -0.76 -0.07 0.00 0.69 0.00 0.00 54.13 54.06 2pax s LEU 964 Cb -0.10 0.15 0.01 0.00 -0.43 0.00 0.00 46.19 45.82 2pax s LEU 964 CO 0.04 -0.38 0.88 -0.67 -0.29 0.00 0.00 176.35 175.93 2pax n ASP 965 N 5.29 -5.91 0.00 3.68 2.03 -1.26 -2.18 116.55 118.20 2pax n ASP 965 Ca -0.05 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.86 2pax n ASP 965 Cb 0.46 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.25 2pax n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pax n GLY 966 N -1.72 0.69 3.54 0.27 0.00 -1.26 -5.02 105.19 101.68 2pax n GLY 966 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2pax n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pax s VAL 967 N -2.76 3.82 0.15 1.61 1.01 -0.92 -4.94 120.40 118.37 2pax s VAL 967 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2pax s VAL 967 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 2pax s VAL 967 CO 0.00 0.55 1.21 -1.61 0.00 0.00 0.00 175.10 175.25 2pax s GLU 968 N -0.22 4.46 -0.30 2.72 2.02 -0.83 -0.83 118.70 125.73 2pax s GLU 968 Ca 0.03 1.87 0.02 0.00 0.02 0.00 0.00 54.97 56.91 2pax s GLU 968 Cb -0.13 -3.26 0.07 0.00 0.10 0.00 0.00 34.13 30.91 2pax s GLU 968 CO 0.02 -0.15 -0.02 0.08 0.02 0.00 0.00 175.26 175.21 2pax s VAL 969 N 0.29 2.46 -1.37 2.63 1.01 0.20 -1.13 120.40 124.49 2pax s VAL 969 Ca 0.55 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 2pax s VAL 969 Cb -0.32 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 2pax s VAL 969 CO 0.34 -0.26 2.53 -2.65 0.00 0.00 0.00 175.10 175.06 2pax n PRO 970 N 4.43 2.99 -0.02 2.72 -0.02 -1.26 -1.88 135.00 141.96 2pax n PRO 970 Ca -0.08 -2.12 0.03 0.00 -2.02 0.00 0.00 63.50 59.31 2pax n PRO 970 Cb 0.42 -2.86 0.14 0.00 -0.02 0.00 0.00 33.50 31.18 2pax n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2pax n LEU 971 N 4.65 0.24 -4.68 2.45 -0.00 -1.26 -4.75 117.00 113.66 2pax n LEU 971 Ca 0.63 -0.12 -0.30 0.00 -0.00 0.00 0.00 56.01 56.22 2pax n LEU 971 Cb 0.26 -0.03 0.16 0.00 -0.00 0.00 0.00 43.42 43.81 2pax n LEU 971 CO 0.85 0.06 0.66 -0.83 -0.00 0.00 0.00 177.39 178.13 2pax s GLY 972 N -1.14 1.66 0.42 1.47 0.00 -1.26 -4.62 107.32 103.86 2pax s GLY 972 Ca 0.09 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.90 2pax s GLY 972 CO 0.07 0.78 1.08 -1.31 0.00 0.00 0.00 173.10 173.72 2pax s ASN 973 N -2.92 6.56 -0.29 1.64 0.01 -1.26 -3.93 114.94 114.75 2pax s ASN 973 Ca 0.65 2.10 -0.29 0.00 -0.71 0.00 0.00 52.86 54.61 2pax s ASN 973 Cb -0.21 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 38.79 2pax s ASN 973 CO 0.58 -0.63 2.25 0.61 -1.51 0.00 0.00 177.10 178.40 2pax n GLY 974 N 0.31 0.78 3.51 0.66 0.00 -1.23 -1.08 105.19 108.13 2pax n GLY 974 Ca 0.06 0.80 -0.29 0.00 0.00 0.00 0.00 46.02 46.59 2pax n GLY 974 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pax s ILE 975 N 8.67 2.96 0.00 -0.61 1.09 0.17 -4.90 121.20 128.58 2pax s ILE 975 Ca 1.03 -1.46 -0.28 0.00 -1.10 0.00 0.00 60.65 58.84 2pax s ILE 975 Cb -0.43 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.56 2pax s ILE 975 CO 0.37 0.10 0.88 -0.94 -0.10 0.00 0.00 174.94 175.25 2pax s SER 976 N -2.17 7.27 0.51 3.58 1.04 -1.26 -1.45 113.70 121.22 2pax s SER 976 Ca 0.19 1.53 -0.09 0.00 0.48 0.00 0.00 55.95 58.06 2pax s SER 976 Cb -0.11 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2pax s SER 976 CO 0.11 -0.17 0.88 0.42 0.98 0.00 0.00 173.24 175.46 2pax s THR 977 N 0.70 4.79 -0.24 2.02 -4.23 -0.35 -4.95 115.64 113.38 2pax s THR 977 Ca 0.46 0.58 0.27 0.00 -1.18 0.00 0.00 61.69 61.82 2pax s THR 977 Cb -0.20 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.10 2pax s THR 977 CO 0.25 -0.87 1.81 1.23 -0.54 0.00 0.00 174.62 176.50 2pax h GLY 978 N 0.31 0.00 -4.49 3.99 0.00 -1.92 -3.44 103.07 97.51 2pax h GLY 978 Ca -0.46 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.33 2pax h GLY 978 CO 0.62 0.00 0.54 -1.50 0.00 0.00 0.00 176.54 176.20 2pax s ILE 979 N -3.48 4.17 -0.04 2.60 2.07 -1.26 -4.91 121.20 120.35 2pax s ILE 979 Ca 0.02 1.55 0.04 0.00 -1.41 0.00 0.00 60.65 60.86 2pax s ILE 979 Cb 0.09 -4.00 -0.06 0.00 0.13 0.00 0.00 42.46 38.62 2pax s ILE 979 CO 0.40 0.11 0.02 -0.46 -1.91 0.00 0.00 174.94 173.11 2pax n ASN 980 N 4.01 3.86 -0.90 4.50 6.94 -1.26 -4.70 115.26 127.71 2pax n ASN 980 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 2pax n ASN 980 Cb 0.47 0.66 0.00 0.00 -2.36 0.00 0.00 39.78 38.55 2pax n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2pax n ASP 981 N -2.13 2.44 -4.69 0.53 5.75 -1.26 -4.85 116.55 112.33 2pax n ASP 981 Ca -0.07 -1.87 -0.31 0.00 -0.01 0.00 0.00 54.79 52.53 2pax n ASP 981 Cb 0.61 -0.47 -0.08 0.00 -1.03 0.00 0.00 41.12 40.15 2pax n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2pax s THR 982 N -0.15 4.11 -0.13 2.12 -1.32 -1.26 -4.91 115.64 114.10 2pax s THR 982 Ca 0.00 -0.79 0.15 0.00 -1.21 0.00 0.00 61.69 59.84 2pax s THR 982 Cb 0.00 -2.90 -0.02 0.00 -1.51 0.00 0.00 72.50 68.07 2pax s THR 982 CO 0.00 0.24 1.21 0.00 -2.21 0.00 0.00 174.62 173.86 2pax s LEU 984 N -6.21 4.48 -0.01 0.00 1.43 -1.26 -4.97 118.68 112.15 2pax s LEU 984 Ca 0.01 1.66 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 2pax s LEU 984 Cb 0.08 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.51 2pax s LEU 984 CO 0.77 0.10 0.80 -0.07 0.23 0.00 0.00 176.35 178.18 2pax h LEU 985 N 3.82 0.06 -8.47 1.79 3.38 -1.90 -2.42 115.31 111.58 2pax h LEU 985 Ca -0.47 -0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 2pax h LEU 985 Cb 1.20 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 2pax h LEU 985 CO 0.66 1.10 -0.71 -0.31 0.09 0.00 0.00 178.44 179.26 2pax s TYR 986 N -2.62 1.00 0.50 1.13 2.02 -1.26 -1.34 117.35 116.78 2pax s TYR 986 Ca -0.05 -0.78 -0.22 0.00 -0.37 0.00 0.00 57.07 55.66 2pax s TYR 986 Cb 0.08 -0.55 -0.06 0.00 -0.40 0.00 0.00 41.96 41.03 2pax s TYR 986 CO 0.82 -0.05 1.17 -0.80 -1.57 0.00 0.00 175.55 175.12 2pax s ASN 987 N -2.80 5.90 -0.02 2.29 0.01 -1.26 -4.12 114.94 114.94 2pax s ASN 987 Ca 0.09 2.31 0.02 0.00 -0.71 0.00 0.00 52.86 54.57 2pax s ASN 987 Cb 0.01 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2pax s ASN 987 CO -0.02 -1.10 -0.05 -1.61 -1.51 0.00 0.00 177.10 172.81 2pax s GLU 988 N -2.93 0.61 -0.08 -0.60 2.02 -0.77 -4.42 118.70 112.53 2pax s GLU 988 Ca 0.68 -0.16 0.05 0.00 0.02 0.00 0.00 54.97 55.55 2pax s GLU 988 Cb -0.28 -0.61 -0.00 0.00 0.10 0.00 0.00 34.13 33.33 2pax s GLU 988 CO 0.33 0.04 -0.24 0.71 0.02 0.00 0.00 175.26 176.13 2pax s TYR 989 N 0.30 2.43 -0.06 1.61 1.51 -0.60 -0.33 117.35 122.20 2pax s TYR 989 Ca -0.04 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.16 2pax s TYR 989 Cb -0.08 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2pax s TYR 989 CO -0.00 -0.33 -0.10 0.42 -1.11 0.00 0.00 175.55 174.43 2pax s ILE 990 N 0.16 0.96 0.04 2.71 1.09 -0.54 -1.08 121.20 124.53 2pax s ILE 990 Ca -0.13 -0.36 0.05 0.00 -1.10 0.00 0.00 60.65 59.11 2pax s ILE 990 Cb -0.16 -0.90 -0.04 0.00 -1.06 0.00 0.00 42.46 40.30 2pax s ILE 990 CO 0.07 0.32 -0.09 0.68 -0.10 0.00 0.00 174.94 175.81 2pax s VAL 991 N 0.80 3.46 -0.19 2.92 -7.23 -1.06 -0.75 120.40 118.35 2pax s VAL 991 Ca -0.12 -0.98 0.16 0.00 -1.81 0.00 0.00 61.98 59.23 2pax s VAL 991 Cb -0.15 -2.54 0.53 0.00 0.56 0.00 0.00 36.38 34.78 2pax s VAL 991 CO 0.02 0.30 1.43 -1.22 -0.31 0.00 0.00 175.10 175.32 2pax n TYR 992 N 1.27 0.98 -3.69 2.82 4.02 -1.26 -0.93 117.16 120.37 2pax n TYR 992 Ca -0.15 -0.93 -0.19 0.00 -0.01 0.00 0.00 57.90 56.62 2pax n TYR 992 Cb 0.52 -0.33 -0.18 0.00 -0.02 0.00 0.00 39.34 39.33 2pax n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2pax s ASP 993 N -1.97 0.98 0.59 7.72 -1.08 -1.26 -4.98 116.67 116.67 2pax s ASP 993 Ca 0.43 0.07 0.29 0.00 -0.52 0.00 0.00 52.55 52.81 2pax s ASP 993 Cb 0.35 -0.13 1.51 0.00 -1.46 0.00 0.00 42.92 43.19 2pax s ASP 993 CO 0.08 -0.23 1.94 1.62 0.52 0.00 0.00 175.17 179.10 2pax h VAL 994 N 6.42 0.39 -0.00 1.11 3.04 -1.91 0.03 116.25 125.33 2pax h VAL 994 Ca -0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2pax h VAL 994 Cb 1.12 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2pax h VAL 994 CO 0.20 0.00 -0.09 0.00 -1.01 0.00 0.00 177.57 176.67 2pax n ALA 995 N -2.35 2.65 1.82 3.17 0.00 -1.26 -3.75 120.51 120.79 2pax n ALA 995 Ca 0.07 -0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2pax n ALA 995 Cb 0.59 -1.39 0.36 0.00 0.00 0.00 0.00 19.45 19.01 2pax n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pax n GLN 996 N -1.24 1.15 -4.23 0.00 6.02 -0.00 -4.35 117.38 114.73 2pax n GLN 996 Ca 0.12 -0.23 -0.17 0.00 -0.01 0.00 0.00 57.00 56.71 2pax n GLN 996 Cb 0.29 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.18 2pax n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pax s VAL 997 N -1.94 0.65 -0.19 5.09 0.11 -1.25 -1.64 120.40 121.24 2pax s VAL 997 Ca 0.21 -0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 2pax s VAL 997 Cb 0.10 -0.60 0.06 0.00 -1.53 0.00 0.00 36.38 34.41 2pax s VAL 997 CO 0.16 -0.00 0.01 0.21 -3.33 0.00 0.00 175.10 172.15 2pax s ASN 998 N -0.69 3.01 0.40 3.54 3.04 -0.60 -4.86 114.94 118.78 2pax s ASN 998 Ca -0.01 -0.83 -0.25 0.00 0.04 0.00 0.00 52.86 51.81 2pax s ASN 998 Cb -0.05 -0.74 -0.08 0.00 -1.54 0.00 0.00 41.25 38.83 2pax s ASN 998 CO 0.00 -0.27 1.16 -0.76 -3.04 0.00 0.00 177.10 174.19 2pax s LEU 999 N 1.75 4.20 0.00 3.21 1.43 -1.26 -0.15 118.68 127.86 2pax s LEU 999 Ca -0.01 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2pax s LEU 999 Cb -0.17 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2pax s LEU 999 CO -0.07 -0.65 0.00 0.29 0.23 0.00 0.00 176.35 176.15 2pax n LYS 1000N 0.10 0.00 -4.19 1.70 4.76 -0.51 -4.72 118.16 115.30 2pax n LYS 1000Ca 0.04 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 2pax n LYS 1000Cb 0.47 -0.42 -0.11 0.00 -1.84 0.00 0.00 35.03 33.12 2pax n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2pax s TYR 1001N -2.00 1.11 -0.09 2.13 2.02 -1.06 -1.18 117.35 118.29 2pax s TYR 1001Ca 0.00 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2pax s TYR 1001Cb 0.00 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 2pax s TYR 1001CO 0.00 0.02 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.76 2pax s LEU 1002N -2.49 1.21 -0.03 -1.29 0.20 0.27 -1.49 118.68 115.05 2pax s LEU 1002Ca 0.06 -0.25 -0.00 0.00 0.69 0.00 0.00 54.13 54.63 2pax s LEU 1002Cb -0.03 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 2pax s LEU 1002CO 0.00 -0.09 0.01 -0.76 -0.29 0.00 0.00 176.35 175.23 2pax s LEU 1003N 1.45 3.60 -0.35 -0.68 1.02 0.03 -0.02 118.68 123.73 2pax s LEU 1003Ca -0.01 0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 2pax s LEU 1003Cb -0.13 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.10 2pax s LEU 1003CO -0.05 0.32 0.21 -0.75 0.02 0.00 0.00 176.35 176.10 2pax s LYS 1004N -1.34 3.15 0.10 1.70 2.20 0.87 -2.12 119.74 124.30 2pax s LYS 1004Ca 0.18 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2pax s LYS 1004Cb -0.12 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2pax s LYS 1004CO 0.08 -0.56 0.08 -0.51 -0.36 0.00 0.00 175.35 174.08 2pax s LEU 1005N 1.62 3.76 -0.27 5.43 1.43 0.31 -0.01 118.68 130.94 2pax s LEU 1005Ca 0.04 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2pax s LEU 1005Cb -0.18 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.66 2pax s LEU 1005CO 0.08 0.15 -0.08 -0.75 0.23 0.00 0.00 176.35 175.98 2pax s LYS 1006N -2.52 2.31 -0.46 1.70 2.47 0.96 -1.02 119.74 123.17 2pax s LYS 1006Ca 0.29 -1.32 -0.27 0.00 -1.56 0.00 0.00 55.97 53.12 2pax s LYS 1006Cb -0.12 -2.98 0.03 0.00 -1.46 0.00 0.00 37.83 33.30 2pax s LYS 1006CO 0.22 -0.58 1.01 -0.06 0.16 0.00 0.00 175.35 176.10 2pax s PHE 1007N 1.15 2.89 -0.49 4.03 0.40 -0.05 -0.79 117.98 125.12 2pax s PHE 1007Ca -0.08 0.53 -0.19 0.00 -0.60 0.00 0.00 56.93 56.59 2pax s PHE 1007Cb -0.20 -4.14 0.05 0.00 0.51 0.00 0.00 43.02 39.24 2pax s PHE 1007CO -0.04 -1.15 0.62 1.21 0.70 0.00 0.00 175.22 176.55 2pax s ASN 1008N 2.32 6.23 -0.02 1.36 2.47 -0.58 -4.81 114.94 121.91 2pax s ASN 1008Ca 0.41 -0.84 -0.29 0.00 0.42 0.00 0.00 52.86 52.56 2pax s ASN 1008Cb -0.09 -2.29 -0.03 0.00 -1.45 0.00 0.00 41.25 37.39 2pax s ASN 1008CO 0.28 -0.86 0.96 -0.31 -3.72 0.00 0.00 177.10 173.45 2pax s TYR 1009N 2.62 3.63 -0.03 0.43 1.51 -1.26 -0.47 117.35 123.78 2pax s TYR 1009Ca 0.16 1.64 -0.30 0.00 -1.01 0.00 0.00 57.07 57.56 2pax s TYR 1009Cb -0.18 -3.10 -0.05 0.00 -0.11 0.00 0.00 41.96 38.51 2pax s TYR 1009CO 0.13 -0.04 1.51 0.15 -1.11 0.00 0.00 175.55 176.19 2pax s LYS 1010N 1.16 4.23 0.00 -0.62 1.02 -1.23 -4.99 119.74 119.31 2pax s LYS 1010Ca 0.50 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.55 2pax s LYS 1010Cb -0.20 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 2pax s LYS 1010CO 0.25 -0.71 0.22 0.25 -0.92 0.00 0.00 175.35 174.44