#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pax s SER 663 N 0.00 6.83 0.24 4.39 0.15 -1.26 -4.60 113.70 119.45 4pax s SER 663 Ca 0.00 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.33 4pax s SER 663 Cb 0.00 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 4pax s SER 663 CO 0.00 -0.58 1.15 0.11 1.20 0.00 0.00 173.24 175.12 4pax h LYS 664 N 5.36 0.00 -7.18 5.44 1.57 -2.00 -3.47 116.57 116.29 4pax h LYS 664 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 4pax h LYS 664 Cb 1.21 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.69 4pax h LYS 664 CO 0.78 0.07 0.39 -0.51 -0.57 0.00 0.00 179.45 179.61 4pax s LEU 665 N -5.65 3.30 0.86 2.94 1.02 -1.26 -5.00 118.68 114.89 4pax s LEU 665 Ca 0.01 2.39 -0.11 0.00 0.02 0.00 0.00 54.13 56.44 4pax s LEU 665 Cb 0.08 -4.59 0.11 0.00 0.02 0.00 0.00 46.19 41.81 4pax s LEU 665 CO 0.77 -2.32 1.11 0.00 0.02 0.00 0.00 176.35 175.92 4pax s ALA 666 N -1.96 1.74 0.10 4.21 0.00 -1.26 -4.83 121.76 119.75 4pax s ALA 666 Ca 0.75 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 4pax s ALA 666 Cb -0.30 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 4pax s ALA 666 CO 0.46 -2.30 1.69 -0.22 0.00 0.00 0.00 175.76 175.39 4pax h LYS 667 N -1.52 0.21 -0.92 0.00 3.64 -1.98 -2.31 116.57 113.69 4pax h LYS 667 Ca -0.45 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.05 4pax h LYS 667 Cb 1.26 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 4pax h LYS 667 CO 0.49 0.23 0.59 -1.35 -2.27 0.00 0.00 179.45 177.13 4pax h PRO 668 N 0.14 0.70 -0.20 1.90 0.11 -1.99 -0.13 132.00 132.53 4pax h PRO 668 Ca 0.05 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 4pax h PRO 668 Cb 0.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 4pax h PRO 668 CO -0.01 0.46 -0.59 0.82 -0.21 0.00 0.00 178.00 178.48 4pax h ILE 669 N 0.72 1.31 0.20 4.15 2.04 -1.89 -1.93 117.51 122.12 4pax h ILE 669 Ca 0.47 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 4pax h ILE 669 Cb 0.74 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 4pax h ILE 669 CO -0.23 0.57 -0.10 1.56 0.00 0.00 0.00 178.15 179.96 4pax h GLN 670 N 0.48 -0.26 -0.19 2.37 4.20 -0.68 -1.13 115.11 119.90 4pax h GLN 670 Ca 0.00 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.78 4pax h GLN 670 Cb 1.16 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 4pax h GLN 670 CO 0.12 -0.07 0.16 -0.44 -0.67 0.00 0.00 178.83 177.92 4pax h ASP 671 N -0.40 0.00 -0.02 1.46 3.32 -1.01 -1.07 116.42 118.71 4pax h ASP 671 Ca -0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 4pax h ASP 671 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 4pax h ASP 671 CO 0.05 0.00 -0.13 0.25 -1.72 0.00 0.00 179.24 177.68 4pax h LEU 672 N 0.00 0.16 -0.61 1.55 5.85 -0.90 -2.39 115.31 118.97 4pax h LEU 672 Ca 0.09 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 4pax h LEU 672 Cb 0.40 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 4pax h LEU 672 CO -0.00 0.81 0.33 0.40 -0.34 0.00 0.00 178.44 179.64 4pax h ILE 673 N -0.49 1.20 -0.61 4.05 1.08 -0.72 -0.13 117.51 121.89 4pax h ILE 673 Ca -0.01 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 4pax h ILE 673 Cb 0.81 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 4pax h ILE 673 CO 0.03 0.21 0.34 0.11 -0.69 0.00 0.00 178.15 178.15 4pax h LYS 674 N 0.82 0.83 -0.13 2.37 1.57 -1.28 -2.15 116.57 118.61 4pax h LYS 674 Ca 0.21 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 4pax h LYS 674 Cb 0.05 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.20 4pax h LYS 674 CO -0.03 0.61 -0.81 1.98 -0.57 0.00 0.00 179.45 180.62 4pax h MET 675 N 0.84 0.76 0.00 3.15 4.05 -0.84 -3.01 114.93 119.89 4pax h MET 675 Ca 0.22 -0.65 -0.02 0.00 -0.28 0.00 0.00 59.70 58.97 4pax h MET 675 Cb 0.02 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 4pax h MET 675 CO -0.04 1.25 -0.09 -0.84 0.23 0.00 0.00 176.91 177.42 4pax h ILE 676 N 0.51 0.17 -0.59 1.77 3.07 -0.86 -3.23 117.51 118.35 4pax h ILE 676 Ca -0.06 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.20 4pax h ILE 676 Cb 1.44 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 40.00 4pax h ILE 676 CO 0.16 0.09 0.00 0.49 -1.05 0.00 0.00 178.15 177.85 4pax n PHE 677 N -3.13 1.24 -2.20 0.16 3.72 -0.82 -4.61 117.46 111.81 4pax n PHE 677 Ca 0.03 -0.60 -0.43 0.00 -0.05 0.00 0.00 57.45 56.40 4pax n PHE 677 Cb 0.53 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 4pax n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 4pax s ASP 678 N -1.02 6.68 0.28 4.37 2.15 -1.14 -4.90 116.67 123.09 4pax s ASP 678 Ca 0.47 1.82 -0.00 0.00 0.43 0.00 0.00 52.55 55.27 4pax s ASP 678 Cb 0.29 -2.53 0.42 0.00 -0.30 0.00 0.00 42.92 40.79 4pax s ASP 678 CO 0.24 -0.97 1.82 0.58 -0.17 0.00 0.00 175.17 176.66 4pax h VAL 679 N 5.72 1.22 -0.72 1.11 2.07 -1.93 -2.89 116.25 120.84 4pax h VAL 679 Ca -0.33 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.35 4pax h VAL 679 Cb 1.14 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 4pax h VAL 679 CO 0.98 0.31 0.48 -0.08 0.02 0.00 0.00 177.57 179.27 4pax h GLU 680 N 0.74 0.93 -0.37 1.57 4.81 -2.00 -1.55 114.58 118.71 4pax h GLU 680 Ca 0.16 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 4pax h GLU 680 Cb 0.34 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 4pax h GLU 680 CO 0.01 0.62 -0.27 0.77 -0.73 0.00 0.00 179.01 179.40 4pax h SER 681 N 0.96 0.78 -0.76 1.04 0.02 -1.91 -1.27 113.55 112.41 4pax h SER 681 Ca 0.27 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 4pax h SER 681 Cb -0.09 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 4pax h SER 681 CO -0.06 1.01 0.50 0.24 -1.14 0.00 0.00 176.83 177.38 4pax h MET 682 N 0.66 1.01 -0.24 3.45 2.86 -1.27 -0.72 114.93 120.67 4pax h MET 682 Ca 0.08 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 4pax h MET 682 Cb 0.79 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 4pax h MET 682 CO 0.07 0.67 -0.28 0.87 1.06 0.00 0.00 176.91 179.29 4pax h LYS 683 N 1.03 0.62 -0.77 1.72 1.57 -1.30 -2.51 116.57 116.94 4pax h LYS 683 Ca 0.28 -0.34 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 4pax h LYS 683 Cb -0.11 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.14 4pax h LYS 683 CO -0.06 0.95 0.39 -0.22 -0.57 0.00 0.00 179.45 179.94 4pax h LYS 684 N 0.33 0.61 -0.15 3.15 3.64 -0.85 -0.41 116.57 122.90 4pax h LYS 684 Ca 0.03 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 4pax h LYS 684 Cb 0.85 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 4pax h LYS 684 CO 0.07 0.41 0.09 0.00 -2.27 0.00 0.00 179.45 177.74 4pax h ALA 685 N 1.47 0.19 -0.13 5.00 0.00 -1.02 -1.88 119.26 122.89 4pax h ALA 685 Ca 0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 4pax h ALA 685 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 4pax h ALA 685 CO -0.30 -0.34 -0.07 0.52 0.00 0.00 0.00 179.25 179.06 4pax h MET 686 N 0.18 0.19 -0.10 0.00 2.86 -0.88 -1.91 114.93 115.28 4pax h MET 686 Ca 0.06 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 4pax h MET 686 Cb -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 4pax h MET 686 CO -0.03 0.28 -0.67 0.28 1.06 0.00 0.00 176.91 177.83 4pax h VAL 687 N 0.19 1.37 0.00 -2.22 2.07 -0.69 -0.75 116.25 116.22 4pax h VAL 687 Ca 0.04 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.44 4pax h VAL 687 Cb 0.26 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 4pax h VAL 687 CO 0.01 0.62 -0.40 -0.33 0.02 0.00 0.00 177.57 177.48 4pax h GLU 688 N 0.29 0.00 -0.00 1.57 5.08 -0.60 -1.69 114.58 119.22 4pax h GLU 688 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 4pax h GLU 688 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 4pax h GLU 688 CO 0.12 0.40 -0.04 1.19 -1.00 0.00 0.00 179.01 179.68 4pax n PHE 689 N -3.82 0.00 -1.80 4.33 3.72 -0.84 -4.92 117.46 114.13 4pax n PHE 689 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 4pax n PHE 689 Cb 0.47 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.87 4pax n PHE 689 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 4pax n GLU 690 N -0.89 -0.50 -2.59 -1.08 1.02 -0.64 -5.02 120.64 110.94 4pax n GLU 690 Ca 0.18 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 4pax n GLU 690 Cb 0.23 -4.29 -0.04 0.00 -0.02 0.00 0.00 31.44 27.31 4pax n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 4pax s ILE 691 N -2.30 3.88 -0.55 -3.67 1.09 -0.30 -1.27 121.20 118.08 4pax s ILE 691 Ca 0.00 1.22 -0.23 0.00 -1.10 0.00 0.00 60.65 60.54 4pax s ILE 691 Cb 0.00 -3.52 0.05 0.00 -1.06 0.00 0.00 42.46 37.93 4pax s ILE 691 CO 0.00 -0.21 0.89 -0.62 -0.10 0.00 0.00 174.94 174.90 4pax s ASP 692 N -1.94 6.30 0.26 3.58 -1.08 0.60 -4.47 116.67 119.92 4pax s ASP 692 Ca 0.65 -0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.42 4pax s ASP 692 Cb -0.16 -2.41 0.94 0.00 -1.46 0.00 0.00 42.92 39.83 4pax s ASP 692 CO 0.20 -1.18 1.74 0.18 0.52 0.00 0.00 175.17 176.63 4pax n LEU 693 N 7.24 0.74 -0.01 -1.34 4.77 -1.26 -0.15 117.00 126.99 4pax n LEU 693 Ca -0.00 0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 56.46 4pax n LEU 693 Cb 0.47 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 4pax n LEU 693 CO 0.62 -0.47 0.30 1.56 -1.33 0.00 0.00 177.39 178.07 4pax h GLN 694 N 0.00 0.22 0.00 3.23 1.08 -1.97 -3.20 115.11 114.47 4pax h GLN 694 Ca 0.00 -0.27 -0.12 0.00 -1.45 0.00 0.00 58.65 56.81 4pax h GLN 694 Cb 0.48 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 4pax h GLN 694 CO 0.00 1.02 -0.71 0.87 -0.95 0.00 0.00 178.83 179.06 4pax h LYS 695 N -0.47 0.00 -2.82 1.46 1.79 -1.93 -3.40 116.57 111.20 4pax h LYS 695 Ca -0.06 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.81 4pax h LYS 695 Cb 1.18 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.42 4pax h LYS 695 CO 0.08 0.49 -0.72 -1.64 -1.08 0.00 0.00 179.45 176.57 4pax s MET 696 N -2.94 1.88 0.81 3.15 -1.94 0.79 -4.98 119.30 116.08 4pax s MET 696 Ca 0.02 -2.88 -0.11 0.00 -1.71 0.00 0.00 55.69 51.01 4pax s MET 696 Cb 0.08 -2.68 0.08 0.00 2.01 0.00 0.00 34.83 34.32 4pax s MET 696 CO 0.76 -1.32 1.09 -1.25 -0.01 0.00 0.00 175.02 174.29 4pax s PRO 697 N -0.88 1.95 0.27 2.03 0.04 -1.21 -4.32 135.00 132.88 4pax s PRO 697 Ca 0.28 0.93 0.01 0.00 0.04 0.00 0.00 61.00 62.25 4pax s PRO 697 Cb -0.02 -1.88 0.62 0.00 0.04 0.00 0.00 34.50 33.26 4pax s PRO 697 CO -0.17 -1.79 1.72 -0.07 0.04 0.00 0.00 177.00 176.72 4pax h LEU 698 N -1.22 0.35 0.00 -3.56 3.38 -1.98 -0.79 115.31 111.48 4pax h LEU 698 Ca -0.46 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.64 4pax h LEU 698 Cb 1.25 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 4pax h LEU 698 CO 0.54 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.75 4pax n GLY 699 N -1.33 -0.75 0.08 0.83 0.00 -1.26 -3.16 105.19 99.61 4pax n GLY 699 Ca 0.19 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.20 4pax n GLY 699 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 4pax n LYS 700 N -0.88 0.62 -1.68 1.61 4.81 -0.30 -4.95 118.16 117.40 4pax n LYS 700 Ca 0.13 0.03 -0.46 0.00 -0.87 0.00 0.00 58.31 57.15 4pax n LYS 700 Cb 0.06 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.34 4pax n LYS 700 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 4pax n LEU 701 N -2.56 3.46 -4.18 3.14 4.77 -1.19 -5.02 117.00 115.43 4pax n LEU 701 Ca -0.02 1.02 -0.15 0.00 -0.03 0.00 0.00 56.01 56.83 4pax n LEU 701 Cb 0.58 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 40.12 4pax n LEU 701 CO 0.42 -0.09 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.03 4pax s SER 702 N 2.39 1.49 0.22 -1.43 1.04 -1.26 -5.02 113.70 111.13 4pax s SER 702 Ca 0.84 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 4pax s SER 702 Cb -0.63 0.00 0.19 0.00 0.10 0.00 0.00 66.02 65.68 4pax s SER 702 CO 0.42 -0.25 1.70 0.11 0.98 0.00 0.00 173.24 176.20 4pax h LYS 703 N 3.59 0.94 -0.41 4.02 1.57 -1.98 -2.59 116.57 121.71 4pax h LYS 703 Ca -0.38 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.14 4pax h LYS 703 Cb 1.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 4pax h LYS 703 CO 0.52 0.93 0.25 0.00 -0.57 0.00 0.00 179.45 180.59 4pax h ARG 704 N 0.87 0.50 -0.63 3.15 -0.00 -1.99 -1.10 114.38 115.17 4pax h ARG 704 Ca 0.16 -0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.67 4pax h ARG 704 Cb 0.51 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 30.32 4pax h ARG 704 CO 0.03 0.33 0.34 0.37 0.00 0.00 0.00 179.97 181.03 4pax h GLN 705 N 0.51 0.61 -0.18 0.04 4.15 -1.93 -1.54 115.11 116.78 4pax h GLN 705 Ca 0.16 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 4pax h GLN 705 Cb -0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 4pax h GLN 705 CO -0.06 0.41 -0.48 0.82 -1.93 0.00 0.00 178.83 177.59 4pax h ILE 706 N 0.63 1.32 -0.02 2.39 2.04 -1.16 -2.21 117.51 120.50 4pax h ILE 706 Ca 0.28 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 4pax h ILE 706 Cb 0.19 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 4pax h ILE 706 CO -0.19 0.52 0.01 1.56 0.00 0.00 0.00 178.15 180.06 4pax h GLN 707 N 0.37 0.03 -0.83 2.37 4.20 -0.65 -1.58 115.11 119.02 4pax h GLN 707 Ca 0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 4pax h GLN 707 Cb 0.98 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 4pax h GLN 707 CO 0.09 0.11 0.52 0.77 -0.67 0.00 0.00 178.83 179.65 4pax h SER 708 N -0.07 0.98 -0.66 1.46 0.02 -1.24 -1.81 113.55 112.22 4pax h SER 708 Ca 0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 4pax h SER 708 Cb 0.10 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 4pax h SER 708 CO -0.00 0.74 0.38 0.00 -1.14 0.00 0.00 176.83 176.81 4pax h ALA 709 N 1.28 1.40 -0.30 3.77 0.00 -1.13 -0.96 119.26 123.32 4pax h ALA 709 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 4pax h ALA 709 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 4pax h ALA 709 CO -0.06 0.50 0.09 1.88 0.00 0.00 0.00 179.25 181.66 4pax h TYR 710 N 0.94 0.50 -0.85 0.00 0.05 -0.55 -1.11 116.97 115.94 4pax h TYR 710 Ca 0.24 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 59.03 4pax h TYR 710 Cb -0.00 -0.14 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 4pax h TYR 710 CO 0.00 0.52 0.53 0.77 -1.05 0.00 0.00 178.16 178.93 4pax h SER 711 N 0.33 0.84 -0.19 3.88 0.02 -0.73 -0.31 113.55 117.39 4pax h SER 711 Ca 0.10 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 4pax h SER 711 Cb 0.26 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 4pax h SER 711 CO -0.00 0.54 0.05 0.40 -1.14 0.00 0.00 176.83 176.68 4pax h ILE 712 N 0.98 1.21 0.00 3.27 2.04 -0.97 -1.94 117.51 122.09 4pax h ILE 712 Ca 0.37 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 4pax h ILE 712 Cb 0.15 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 4pax h ILE 712 CO -0.17 0.20 -0.08 -0.07 0.00 0.00 0.00 178.15 178.04 4pax h LEU 713 N 0.12 0.00 -0.12 1.44 3.38 -0.71 -1.88 115.31 117.54 4pax h LEU 713 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 4pax h LEU 713 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 4pax h LEU 713 CO 0.00 0.08 -0.18 -1.13 0.09 0.00 0.00 178.44 177.30 4pax h ASN 714 N 0.00 0.36 0.02 -0.43 -1.24 -0.74 -2.23 115.58 111.33 4pax h ASN 714 Ca -0.00 -0.53 -0.00 0.00 0.71 0.00 0.00 56.30 56.48 4pax h ASN 714 Cb 0.15 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.10 4pax h ASN 714 CO 0.01 0.82 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.63 4pax h GLU 715 N -0.09 -0.02 -0.62 6.67 5.08 -1.00 -2.28 114.58 122.32 4pax h GLU 715 Ca 0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 4pax h GLU 715 Cb 0.75 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 4pax h GLU 715 CO 0.04 0.14 0.41 -0.24 -1.00 0.00 0.00 179.01 178.36 4pax h VAL 716 N -0.18 1.03 -0.51 3.13 3.04 -1.40 0.31 116.25 121.67 4pax h VAL 716 Ca -0.00 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 65.41 4pax h VAL 716 Cb 0.17 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 4pax h VAL 716 CO 0.00 0.12 0.09 -0.61 -1.01 0.00 0.00 177.57 176.17 4pax h GLN 717 N 0.65 0.83 -0.54 4.17 -0.00 -1.31 -1.68 115.11 117.22 4pax h GLN 717 Ca 0.26 -0.22 -0.04 0.00 -0.00 0.00 0.00 58.65 58.65 4pax h GLN 717 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 4pax h GLN 717 CO -0.08 0.82 0.18 1.96 0.00 0.00 0.00 178.83 181.71 4pax h GLN 718 N 0.71 0.84 -0.47 1.69 1.08 -0.42 -2.44 115.11 116.09 4pax h GLN 718 Ca 0.16 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 4pax h GLN 718 Cb 0.38 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 4pax h GLN 718 CO 0.01 0.76 0.04 0.00 -0.95 0.00 0.00 178.83 178.69 4pax h ALA 719 N 1.04 1.18 0.06 3.87 0.00 -0.87 -1.46 119.26 123.09 4pax h ALA 719 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 4pax h ALA 719 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 4pax h ALA 719 CO -0.01 0.54 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 4pax h VAL 720 N 0.71 1.21 -0.25 0.00 2.07 -1.19 0.57 116.25 119.37 4pax h VAL 720 Ca 0.15 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.68 4pax h VAL 720 Cb 0.38 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 4pax h VAL 720 CO 0.01 0.25 0.10 0.28 0.02 0.00 0.00 177.57 178.23 4pax h SER 721 N -0.55 0.12 -0.27 0.57 0.02 -1.40 -3.02 113.55 109.02 4pax h SER 721 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 4pax h SER 721 Cb 0.47 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.02 4pax h SER 721 CO 0.01 0.10 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 4pax n ASP 722 N -5.02 1.67 -2.71 3.07 9.92 -0.56 -4.96 116.55 117.97 4pax n ASP 722 Ca -0.01 -1.90 -0.12 0.00 -0.53 0.00 0.00 54.79 52.23 4pax n ASP 722 Cb 0.08 -0.18 0.06 0.00 -0.64 0.00 0.00 41.12 40.45 4pax n ASP 722 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4pax n GLY 723 N 1.04 -0.17 3.85 0.44 0.00 -0.87 -5.02 105.19 104.47 4pax n GLY 723 Ca 0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 4pax n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4pax s GLY 724 N -3.88 1.64 0.52 -0.02 0.00 0.19 -4.99 107.32 100.79 4pax s GLY 724 Ca 0.04 -0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 4pax s GLY 724 CO 0.51 0.19 0.96 1.44 0.00 0.00 0.00 173.10 176.20 4pax n SER 725 N -3.08 0.90 0.24 1.64 7.64 -1.26 -4.87 113.62 114.82 4pax n SER 725 Ca 0.07 0.90 0.09 0.00 1.01 0.00 0.00 58.87 60.95 4pax n SER 725 Cb 0.55 -1.36 0.60 0.00 -1.01 0.00 0.00 64.21 62.99 4pax n SER 725 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 4pax h GLU 726 N 0.96 0.00 -0.26 1.43 3.07 -1.97 -1.78 114.58 116.03 4pax h GLU 726 Ca -0.47 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.31 4pax h GLU 726 Cb 1.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 4pax h GLU 726 CO 0.53 0.19 -0.21 0.66 -1.40 0.00 0.00 179.01 178.78 4pax h SER 727 N 0.00 0.47 -0.06 1.42 4.64 -1.99 -1.18 113.55 116.86 4pax h SER 727 Ca -0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 4pax h SER 727 Cb 0.45 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 4pax h SER 727 CO 0.02 0.69 0.01 -0.61 -0.87 0.00 0.00 176.83 176.07 4pax h GLN 728 N 0.43 0.09 -0.35 4.77 5.75 -1.67 -1.13 115.11 122.99 4pax h GLN 728 Ca 0.07 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 4pax h GLN 728 Cb 0.60 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 4pax h GLN 728 CO 0.04 0.34 0.09 0.82 -2.65 0.00 0.00 178.83 177.48 4pax h ILE 729 N -0.16 1.16 -0.28 2.39 2.04 -1.36 -0.20 117.51 121.09 4pax h ILE 729 Ca 0.02 -0.56 -0.18 0.00 1.00 0.00 0.00 64.86 65.14 4pax h ILE 729 Cb 0.29 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 4pax h ILE 729 CO 0.00 0.20 -0.52 0.25 0.00 0.00 0.00 178.15 178.09 4pax h LEU 730 N 0.51 0.93 -0.20 1.44 5.85 -1.06 -1.63 115.31 121.15 4pax h LEU 730 Ca 0.12 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 4pax h LEU 730 Cb 0.18 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 4pax h LEU 730 CO -0.01 1.29 -0.03 -0.78 -0.34 0.00 0.00 178.44 178.58 4pax h ASP 731 N 0.61 0.37 -0.69 1.25 3.58 -0.68 -2.18 116.42 118.68 4pax h ASP 731 Ca 0.01 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.13 4pax h ASP 731 Cb 1.12 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 4pax h ASP 731 CO 0.12 0.63 0.46 -0.07 -2.88 0.00 0.00 179.24 177.49 4pax h LEU 732 N 0.11 0.79 -0.67 2.28 3.38 -1.06 -1.50 115.31 118.64 4pax h LEU 732 Ca 0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 4pax h LEU 732 Cb 0.46 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 4pax h LEU 732 CO 0.02 0.57 0.44 0.28 0.09 0.00 0.00 178.44 179.83 4pax h SER 733 N 0.93 0.75 -0.45 -0.43 0.02 -1.18 -1.23 113.55 111.97 4pax h SER 733 Ca 0.25 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 4pax h SER 733 Cb -0.11 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 4pax h SER 733 CO -0.06 0.54 0.06 0.78 -1.14 0.00 0.00 176.83 177.01 4pax h ASN 734 N 0.89 0.78 -0.16 3.07 2.35 -0.97 -0.69 115.58 120.85 4pax h ASN 734 Ca 0.25 -0.17 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 4pax h ASN 734 Cb -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 4pax h ASN 734 CO -0.06 0.81 -0.41 0.03 -1.65 0.00 0.00 177.43 176.14 4pax h ARG 735 N 0.78 0.71 -0.25 0.81 3.08 -0.79 -2.21 114.38 116.50 4pax h ARG 735 Ca 0.16 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 4pax h ARG 735 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 4pax h ARG 735 CO 0.01 0.99 0.02 0.35 -1.07 0.00 0.00 179.97 180.27 4pax h PHE 736 N 0.57 0.46 0.00 3.04 3.57 -0.88 -1.06 116.94 122.64 4pax h PHE 736 Ca 0.04 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.47 4pax h PHE 736 Cb 0.96 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.57 4pax h PHE 736 CO 0.05 0.57 0.00 1.88 -2.23 0.00 0.00 178.31 178.58 4pax h TYR 737 N 0.22 0.00 0.00 0.41 0.05 -1.13 0.42 116.97 116.95 4pax h TYR 737 Ca 0.07 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.64 4pax h TYR 737 Cb 0.37 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 4pax h TYR 737 CO 0.03 0.00 -1.47 1.15 -1.05 0.00 0.00 178.16 176.82 4pax h THR 738 N 0.00 0.66 0.02 -2.88 2.02 -1.18 -3.13 112.91 108.43 4pax h THR 738 Ca 0.00 -2.28 -0.05 0.00 0.77 0.00 0.00 66.41 64.84 4pax h THR 738 Cb 0.44 2.20 0.01 0.00 -1.74 0.00 0.00 68.15 69.06 4pax h THR 738 CO 0.00 0.38 -0.22 0.25 0.37 0.00 0.00 175.52 176.29 4pax h LEU 739 N 0.00 0.16 -7.58 2.58 5.85 -0.78 -3.40 115.31 112.14 4pax h LEU 739 Ca -0.20 -0.87 -0.66 0.00 0.84 0.00 0.00 57.88 56.99 4pax h LEU 739 Cb 1.73 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 42.31 4pax h LEU 739 CO 0.06 1.02 -0.65 -0.63 -0.34 0.00 0.00 178.44 177.90 4pax s ILE 740 N -2.73 2.57 0.12 4.05 -1.09 0.10 -5.09 121.20 119.13 4pax s ILE 740 Ca -0.17 -2.73 -0.31 0.00 -2.23 0.00 0.00 60.65 55.21 4pax s ILE 740 Cb -0.01 -2.82 -0.10 0.00 -1.58 0.00 0.00 42.46 37.95 4pax s ILE 740 CO 0.73 -0.70 1.79 -2.84 -1.23 0.00 0.00 174.94 172.69 4pax s PRO 741 N 0.41 4.15 0.28 2.79 0.02 -1.18 -4.40 135.00 137.07 4pax s PRO 741 Ca 0.13 2.55 0.08 0.00 0.02 0.00 0.00 61.00 63.78 4pax s PRO 741 Cb -0.22 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 4pax s PRO 741 CO -0.04 -0.81 0.15 -1.01 -0.33 0.00 0.00 177.00 174.95 4pax s HIS 742 N 2.59 2.90 -0.25 6.54 3.76 -1.26 -0.29 115.29 129.28 4pax s HIS 742 Ca 0.79 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.47 4pax s HIS 742 Cb -0.45 -1.44 0.08 0.00 1.11 0.00 0.00 32.58 31.88 4pax s HIS 742 CO 0.35 0.47 0.05 0.34 -0.85 0.00 0.00 174.74 175.10 4pax s ASP 743 N -3.82 3.48 -0.12 1.40 -1.08 -0.39 -4.51 116.67 111.62 4pax s ASP 743 Ca 0.34 -1.19 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 4pax s ASP 743 Cb -0.06 -0.76 0.74 0.00 -1.46 0.00 0.00 42.92 41.38 4pax s ASP 743 CO 0.23 -0.34 1.65 0.49 0.52 0.00 0.00 175.17 177.72 4pax n PHE 744 N 4.94 1.56 0.00 -5.34 3.72 -1.26 -4.82 117.46 116.25 4pax n PHE 744 Ca -0.07 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 4pax n PHE 744 Cb 0.45 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 4pax n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4pax n GLY 745 N 1.13 3.21 1.02 1.37 0.00 -1.26 -2.04 105.19 108.62 4pax n GLY 745 Ca 0.26 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.17 4pax n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 4pax n MET 746 N 13.74 2.54 -4.15 1.61 2.81 -1.26 -4.90 117.12 127.52 4pax n MET 746 Ca 0.00 -1.66 -0.23 0.00 -1.81 0.00 0.00 57.70 53.99 4pax n MET 746 Cb 0.00 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 30.86 4pax n MET 746 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 4pax s LYS 747 N -1.68 2.76 0.31 0.03 -2.85 -0.87 -5.10 119.74 112.35 4pax s LYS 747 Ca 0.30 -1.08 -0.28 0.00 -1.00 0.00 0.00 55.97 53.91 4pax s LYS 747 Cb 0.19 -2.49 -0.09 0.00 -2.06 0.00 0.00 37.83 33.37 4pax s LYS 747 CO 0.15 0.42 1.09 0.15 0.10 0.00 0.00 175.35 177.26 4pax s LYS 748 N -3.56 4.51 -0.02 1.78 -0.14 -1.26 -4.76 119.74 116.29 4pax s LYS 748 Ca 0.32 1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 56.36 4pax s LYS 748 Cb -0.08 -3.02 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 4pax s LYS 748 CO 0.23 0.12 1.58 -1.25 -0.76 0.00 0.00 175.35 175.26 4pax s PRO 749 N -1.72 4.21 0.34 -1.68 0.04 -1.26 -4.99 135.00 129.94 4pax s PRO 749 Ca 0.48 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 4pax s PRO 749 Cb -0.30 -3.79 -0.10 0.00 0.04 0.00 0.00 34.50 30.35 4pax s PRO 749 CO 0.38 -0.75 1.26 -1.25 0.04 0.00 0.00 177.00 176.67 4pax s PRO 750 N 3.32 4.33 0.45 0.56 0.04 -1.26 -5.00 135.00 137.44 4pax s PRO 750 Ca 0.70 2.10 -0.21 0.00 0.04 0.00 0.00 61.00 63.64 4pax s PRO 750 Cb -0.34 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 4pax s PRO 750 CO 0.29 -0.16 1.00 -0.51 0.04 0.00 0.00 177.00 177.65 4pax s LEU 751 N -1.87 3.93 -1.35 -3.56 1.43 -1.26 -4.92 118.68 111.08 4pax s LEU 751 Ca 0.50 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 4pax s LEU 751 Cb -0.37 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.30 4pax s LEU 751 CO 0.49 -0.54 2.48 0.18 0.23 0.00 0.00 176.35 179.19 4pax n LEU 752 N -0.68 6.99 -0.06 1.79 4.77 -1.26 -4.20 117.00 124.35 4pax n LEU 752 Ca 0.08 -3.87 0.01 0.00 -0.03 0.00 0.00 56.01 52.20 4pax n LEU 752 Cb 0.53 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 4pax n LEU 752 CO 0.39 1.25 0.19 -1.54 -1.33 0.00 0.00 177.39 176.35 4pax n SER 753 N 4.89 0.82 -4.48 -1.43 3.41 -1.26 -4.89 113.62 110.68 4pax n SER 753 Ca 0.61 -0.91 -0.36 0.00 -0.26 0.00 0.00 58.87 57.96 4pax n SER 753 Cb 0.28 0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 4pax n SER 753 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 4pax s ASN 754 N -0.53 5.17 0.58 4.04 3.84 -1.26 -5.00 114.94 121.78 4pax s ASN 754 Ca 0.02 -0.16 0.28 0.00 0.21 0.00 0.00 52.86 53.21 4pax s ASN 754 Cb 0.02 -1.92 1.67 0.00 -0.55 0.00 0.00 41.25 40.47 4pax s ASN 754 CO 0.05 0.01 2.13 -0.07 -2.79 0.00 0.00 177.10 176.43 4pax h LEU 755 N 7.88 0.00 -0.16 3.21 3.38 -1.98 -1.96 115.31 125.68 4pax h LEU 755 Ca -0.37 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.37 4pax h LEU 755 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 4pax h LEU 755 CO 0.60 0.00 -0.96 -0.33 0.09 0.00 0.00 178.44 177.84 4pax h GLU 756 N 0.00 0.41 -0.40 1.13 5.08 -1.99 -2.69 114.58 116.12 4pax h GLU 756 Ca 0.07 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.86 4pax h GLU 756 Cb 0.38 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 4pax h GLU 756 CO -0.00 1.12 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.99 4pax h TYR 757 N 0.23 0.99 -0.84 4.33 3.20 -1.80 -1.51 116.97 121.56 4pax h TYR 757 Ca -0.08 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 4pax h TYR 757 Cb 1.60 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 4pax h TYR 757 CO 0.06 1.03 0.50 0.82 -1.64 0.00 0.00 178.16 178.93 4pax h ILE 758 N 0.66 1.24 -0.57 1.81 2.04 -1.42 0.01 117.51 121.29 4pax h ILE 758 Ca 0.09 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 4pax h ILE 758 Cb 0.78 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 4pax h ILE 758 CO 0.06 0.25 0.06 1.56 0.00 0.00 0.00 178.15 180.08 4pax h GLN 759 N 1.16 0.93 -0.75 2.37 7.50 -1.36 -0.30 115.11 124.65 4pax h GLN 759 Ca 0.30 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 4pax h GLN 759 Cb -0.03 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.35 4pax h GLN 759 CO -0.06 0.88 0.38 0.00 -1.50 0.00 0.00 178.83 178.54 4pax h ALA 760 N 1.19 0.97 0.00 3.87 0.00 -0.46 -2.59 119.26 122.23 4pax h ALA 760 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 4pax h ALA 760 Cb 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 4pax h ALA 760 CO 0.01 0.51 -0.48 0.87 0.00 0.00 0.00 179.25 180.17 4pax h LYS 761 N 1.05 0.00 -0.31 0.00 1.79 -0.10 -2.53 116.57 116.47 4pax h LYS 761 Ca 0.26 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.59 4pax h LYS 761 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 4pax h LYS 761 CO -0.04 0.48 -0.37 0.28 -1.08 0.00 0.00 179.45 178.72 4pax h VAL 762 N 0.00 1.29 -0.50 0.50 2.07 -0.81 -2.79 116.25 116.00 4pax h VAL 762 Ca -0.00 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.90 4pax h VAL 762 Cb 0.88 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 4pax h VAL 762 CO 0.06 0.50 -0.00 1.56 0.02 0.00 0.00 177.57 179.71 4pax h GLN 763 N 0.59 0.84 -0.31 1.57 7.50 -1.19 -2.10 115.11 122.01 4pax h GLN 763 Ca 0.05 -0.23 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 4pax h GLN 763 Cb 0.90 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.32 4pax h GLN 763 CO 0.08 0.84 0.19 1.98 -1.50 0.00 0.00 178.83 180.42 4pax h MET 764 N 0.78 0.42 -0.31 1.46 4.05 -1.31 -2.48 114.93 117.55 4pax h MET 764 Ca 0.15 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 4pax h MET 764 Cb 0.47 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 4pax h MET 764 CO 0.02 0.33 0.02 -0.07 0.23 0.00 0.00 176.91 177.44 4pax h LEU 765 N 0.40 0.42 -0.45 3.39 3.38 -1.22 0.73 115.31 121.96 4pax h LEU 765 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 4pax h LEU 765 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 4pax h LEU 765 CO -0.02 0.48 0.28 0.44 0.09 0.00 0.00 178.44 179.70 4pax h ASP 766 N 0.45 0.53 -0.39 -0.43 3.32 -0.97 -2.04 116.42 116.89 4pax h ASP 766 Ca 0.10 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 4pax h ASP 766 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 4pax h ASP 766 CO 0.00 0.42 -0.14 0.78 -1.72 0.00 0.00 179.24 178.59 4pax h ASN 767 N 0.60 0.80 0.01 6.45 2.35 -1.00 -2.96 115.58 121.82 4pax h ASN 767 Ca 0.16 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 4pax h ASN 767 Cb -0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 4pax h ASN 767 CO -0.03 1.00 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.67 4pax h LEU 768 N 0.59 0.00 -0.69 1.61 3.38 -0.65 -0.47 115.31 119.08 4pax h LEU 768 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 4pax h LEU 768 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 4pax h LEU 768 CO 0.05 0.01 0.17 -0.07 0.09 0.00 0.00 178.44 178.69 4pax h LEU 769 N 0.00 1.04 -0.02 1.67 3.38 -1.20 0.02 115.31 120.20 4pax h LEU 769 Ca -0.00 -0.23 -0.25 0.00 0.09 0.00 0.00 57.88 57.48 4pax h LEU 769 Cb 0.02 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.50 4pax h LEU 769 CO 0.00 1.00 -1.10 0.44 0.09 0.00 0.00 178.44 178.87 4pax h ASP 770 N 1.03 0.50 -0.58 -0.43 3.32 -1.29 -3.07 116.42 115.91 4pax h ASP 770 Ca 0.22 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 4pax h ASP 770 Cb 0.37 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 4pax h ASP 770 CO 0.00 1.31 0.14 0.40 -1.72 0.00 0.00 179.24 179.37 4pax h ILE 771 N 0.16 1.25 -0.87 0.35 2.04 -0.97 -2.21 117.51 117.25 4pax h ILE 771 Ca -0.11 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 64.90 4pax h ILE 771 Cb 1.78 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 4pax h ILE 771 CO 0.19 0.33 0.57 -0.08 0.00 0.00 0.00 178.15 179.16 4pax h GLU 772 N 0.83 1.02 -0.47 2.37 4.22 -1.05 -2.14 114.58 119.36 4pax h GLU 772 Ca 0.18 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.50 4pax h GLU 772 Cb 0.35 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 4pax h GLU 772 CO 0.00 0.67 0.05 0.28 -2.18 0.00 0.00 179.01 177.84 4pax h VAL 773 N 1.05 1.25 -0.78 0.32 2.07 -1.31 -2.45 116.25 116.40 4pax h VAL 773 Ca 0.36 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 4pax h VAL 773 Cb 0.10 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 4pax h VAL 773 CO -0.12 0.34 0.47 0.00 0.02 0.00 0.00 177.57 178.27 4pax h ALA 774 N 0.95 0.99 -0.25 1.67 0.00 -0.90 -1.62 119.26 120.09 4pax h ALA 774 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 4pax h ALA 774 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4pax h ALA 774 CO 0.01 0.46 -0.61 -0.92 0.00 0.00 0.00 179.25 178.19 4pax h TYR 775 N 1.07 1.11 -0.73 0.00 3.20 -1.39 -1.69 116.97 118.52 4pax h TYR 775 Ca 0.28 -0.42 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 4pax h TYR 775 Cb -0.03 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 4pax h TYR 775 CO -0.01 1.26 0.44 0.77 -1.64 0.00 0.00 178.16 178.98 4pax h SER 776 N 0.64 0.88 -0.45 -2.11 0.02 -1.20 -1.92 113.55 109.42 4pax h SER 776 Ca -0.00 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 4pax h SER 776 Cb 1.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 4pax h SER 776 CO 0.13 0.69 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.36 4pax h LEU 777 N 1.00 0.84 -1.07 5.07 3.38 -1.28 -2.82 115.31 120.43 4pax h LEU 777 Ca 0.26 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.90 4pax h LEU 777 Cb -0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 4pax h LEU 777 CO -0.05 0.99 0.63 0.25 0.09 0.00 0.00 178.44 180.35 4pax h LEU 778 N 0.68 1.07 -1.55 1.67 5.85 -0.79 -1.97 115.31 120.27 4pax h LEU 778 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 4pax h LEU 778 Cb 0.61 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.38 4pax h LEU 778 CO 0.04 0.77 0.00 -2.11 -0.34 0.00 0.00 178.44 176.80 4pax n ARG 779 N -4.40 2.01 0.00 1.25 1.85 -0.77 -4.92 116.66 111.68 4pax n ARG 779 Ca 0.11 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.43 4pax n ARG 779 Cb 0.04 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 4pax n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 4pax n GLY 780 N 1.25 -0.49 3.57 2.89 0.00 -0.74 -4.79 105.19 106.89 4pax n GLY 780 Ca 0.17 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 4pax n GLY 780 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4pax s GLY 781 N 0.00 -0.93 -0.02 -0.02 0.00 -1.26 -4.63 107.32 100.45 4pax s GLY 781 Ca 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 44.72 43.46 4pax s GLY 781 CO 0.00 4.21 1.16 0.70 0.00 0.00 0.00 173.10 179.17 4pax n ASN 782 N 18.95 2.60 0.20 1.64 4.13 -1.26 -4.71 115.26 136.80 4pax n ASN 782 Ca 0.43 -2.14 0.06 0.00 1.68 0.00 0.00 54.58 54.61 4pax n ASN 782 Cb 0.46 -0.18 0.40 0.00 -1.54 0.00 0.00 39.78 38.92 4pax n ASN 782 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 4pax h GLU 783 N 1.08 0.00 -6.27 3.52 9.09 -1.99 -3.45 114.58 116.57 4pax h GLU 783 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 4pax h GLU 783 Cb 0.71 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.83 4pax h GLU 783 CO 0.02 0.34 1.00 -3.47 0.05 0.00 0.00 179.01 176.95 4pax n ASP 784 N -3.68 3.11 0.04 3.06 -0.08 -1.26 -4.85 116.55 112.88 4pax n ASP 784 Ca -0.01 1.01 0.11 0.00 -1.51 0.00 0.00 54.79 54.39 4pax n ASP 784 Cb 0.45 -1.32 -0.06 0.00 2.34 0.00 0.00 41.12 42.53 4pax n ASP 784 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 4pax n GLY 785 N 4.19 -1.21 0.00 0.27 0.00 -1.26 -4.14 105.19 103.04 4pax n GLY 785 Ca 0.23 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.97 4pax n GLY 785 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4pax n ASP 786 N -2.29 0.00 -4.24 1.61 9.92 -1.26 -4.76 116.55 115.53 4pax n ASP 786 Ca -0.01 -0.79 -0.20 0.00 -0.53 0.00 0.00 54.79 53.27 4pax n ASP 786 Cb 0.52 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.88 4pax n ASP 786 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 4pax s LYS 787 N -2.00 1.00 0.28 -1.24 1.02 -1.26 -5.00 119.74 112.54 4pax s LYS 787 Ca 0.35 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.91 4pax s LYS 787 Cb 0.16 -1.03 -0.09 0.00 -0.52 0.00 0.00 37.83 36.35 4pax s LYS 787 CO 0.27 0.22 0.96 0.34 -0.92 0.00 0.00 175.35 176.22 4pax s ASP 788 N -2.13 7.47 0.31 2.83 -1.08 -1.26 -4.89 116.67 117.91 4pax s ASP 788 Ca 0.06 1.94 0.07 0.00 -0.52 0.00 0.00 52.55 54.10 4pax s ASP 788 Cb -0.08 -2.60 0.82 0.00 -1.46 0.00 0.00 42.92 39.61 4pax s ASP 788 CO 0.03 0.03 1.69 -0.65 0.52 0.00 0.00 175.17 176.79 4pax h PRO 789 N 3.71 0.40 0.21 4.34 0.11 -1.97 0.11 132.00 138.91 4pax h PRO 789 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 4pax h PRO 789 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 4pax h PRO 789 CO 0.67 0.26 -0.11 0.82 -0.21 0.00 0.00 178.00 179.43 4pax h ILE 790 N 0.41 0.78 -0.86 4.15 1.08 -1.99 -0.81 117.51 120.27 4pax h ILE 790 Ca 0.61 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.15 4pax h ILE 790 Cb 1.21 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 4pax h ILE 790 CO -0.54 0.00 0.56 0.44 -0.69 0.00 0.00 178.15 177.92 4pax h ASP 791 N -0.30 0.84 -0.29 1.72 3.32 -1.44 0.19 116.42 120.46 4pax h ASP 791 Ca -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 4pax h ASP 791 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 4pax h ASP 791 CO 0.04 0.53 0.02 0.40 -1.72 0.00 0.00 179.24 178.52 4pax h ILE 792 N 0.95 1.25 0.00 0.35 2.04 -0.62 -2.19 117.51 119.29 4pax h ILE 792 Ca 0.38 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 4pax h ILE 792 Cb 0.24 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 4pax h ILE 792 CO -0.14 0.28 -0.46 0.78 0.00 0.00 0.00 178.15 178.61 4pax h ASN 793 N 0.30 0.00 -0.44 1.72 2.35 -0.59 -2.72 115.58 116.20 4pax h ASN 793 Ca 0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 4pax h ASN 793 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 4pax h ASN 793 CO 0.01 0.46 -0.00 0.22 -1.65 0.00 0.00 177.43 176.47 4pax h TYR 794 N 0.00 0.86 0.00 1.19 3.20 -0.82 -2.81 116.97 118.58 4pax h TYR 794 Ca -0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 4pax h TYR 794 Cb 0.83 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 4pax h TYR 794 CO 0.00 0.84 -0.18 0.93 -1.64 0.00 0.00 178.16 178.10 4pax h GLU 795 N 0.63 0.00 0.00 1.82 5.08 -1.15 -2.26 114.58 118.70 4pax h GLU 795 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 4pax h GLU 795 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 4pax h GLU 795 CO 0.02 0.18 -0.04 0.87 -1.00 0.00 0.00 179.01 179.05 4pax h LYS 796 N 0.00 0.00 0.00 2.33 1.57 -1.22 -2.42 116.57 116.84 4pax h LYS 796 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 4pax h LYS 796 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 4pax h LYS 796 CO 0.02 0.04 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.80 4pax h LEU 797 N 0.00 0.00 0.21 2.94 3.38 -1.41 -3.47 115.31 116.96 4pax h LEU 797 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 4pax h LEU 797 Cb 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 4pax h LEU 797 CO 0.00 0.07 -0.62 0.54 0.09 0.00 0.00 178.44 178.52 4pax n ARG 798 N -3.13 -4.07 -4.05 1.13 1.74 -0.91 -4.02 116.66 103.35 4pax n ARG 798 Ca 0.03 0.57 -0.23 0.00 -0.77 0.00 0.00 57.85 57.44 4pax n ARG 798 Cb 0.49 -5.34 -0.17 0.00 -1.02 0.00 0.00 32.46 26.42 4pax n ARG 798 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 4pax s THR 799 N -3.06 0.66 -0.16 0.55 2.01 -1.26 -1.76 115.64 112.61 4pax s THR 799 Ca 0.46 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 4pax s THR 799 Cb -0.23 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 4pax s THR 799 CO 0.56 0.28 1.03 -0.62 -0.69 0.00 0.00 174.62 175.19 4pax s ASP 800 N 1.34 7.17 -0.09 3.53 2.15 -0.97 -4.90 116.67 124.90 4pax s ASP 800 Ca -0.04 1.47 0.04 0.00 0.43 0.00 0.00 52.55 54.46 4pax s ASP 800 Cb -0.14 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 4pax s ASP 800 CO -0.03 -0.56 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.55 4pax s ILE 801 N 2.59 2.17 0.04 4.11 1.01 -1.26 -1.51 121.20 128.35 4pax s ILE 801 Ca 0.47 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.15 4pax s ILE 801 Cb -0.17 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 4pax s ILE 801 CO 0.13 0.56 -0.10 -0.54 0.00 0.00 0.00 174.94 174.99 4pax s LYS 802 N 0.14 0.63 -0.17 2.79 1.02 -0.43 -4.98 119.74 118.73 4pax s LYS 802 Ca -0.12 -0.72 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 4pax s LYS 802 Cb -0.16 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 4pax s LYS 802 CO 0.07 0.11 0.84 0.08 -0.92 0.00 0.00 175.35 175.52 4pax s VAL 803 N -1.12 4.87 0.12 3.17 1.01 -1.26 -0.11 120.40 127.08 4pax s VAL 803 Ca -0.05 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 4pax s VAL 803 Cb -0.09 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 4pax s VAL 803 CO 0.01 0.01 1.04 -0.69 0.00 0.00 0.00 175.10 175.48 4pax s VAL 804 N 2.22 4.24 -0.01 2.92 1.01 -0.22 -4.88 120.40 125.67 4pax s VAL 804 Ca 0.38 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 63.89 4pax s VAL 804 Cb -0.16 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 4pax s VAL 804 CO 0.12 0.26 1.70 -0.62 0.00 0.00 0.00 175.10 176.56 4pax s ASP 805 N 0.18 6.62 0.48 3.32 2.15 -1.26 -4.69 116.67 123.47 4pax s ASP 805 Ca 0.50 2.35 0.26 0.00 0.43 0.00 0.00 52.55 56.09 4pax s ASP 805 Cb -0.26 -2.54 1.31 0.00 -0.30 0.00 0.00 42.92 41.13 4pax s ASP 805 CO 0.31 -0.94 1.84 0.11 -0.17 0.00 0.00 175.17 176.33 4pax h LYS 806 N 9.46 0.18 -0.38 4.34 1.79 -1.96 -1.89 116.57 128.12 4pax h LYS 806 Ca -0.42 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 4pax h LYS 806 Cb 1.19 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 4pax h LYS 806 CO 0.95 0.12 0.00 -0.25 -1.08 0.00 0.00 179.45 179.19 4pax n ASP 807 N -4.40 3.36 -4.90 0.86 9.92 -1.26 -4.58 116.55 115.55 4pax n ASP 807 Ca 0.21 -1.98 -0.28 0.00 -0.53 0.00 0.00 54.79 52.21 4pax n ASP 807 Cb 0.93 -0.24 0.04 0.00 -0.64 0.00 0.00 41.12 41.20 4pax n ASP 807 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 4pax s SER 808 N -1.50 5.57 0.30 -2.24 1.04 -0.71 -4.89 113.70 111.27 4pax s SER 808 Ca 0.38 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 57.74 4pax s SER 808 Cb 0.23 -1.85 0.49 0.00 0.10 0.00 0.00 66.02 64.99 4pax s SER 808 CO 0.31 -1.16 1.95 -0.33 0.98 0.00 0.00 173.24 174.99 4pax h GLU 809 N -0.38 1.03 -0.37 4.02 4.39 -1.94 -0.90 114.58 120.44 4pax h GLU 809 Ca -0.45 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.24 4pax h GLU 809 Cb 1.25 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 4pax h GLU 809 CO 0.62 0.68 0.07 1.49 -1.16 0.00 0.00 179.01 180.72 4pax h GLU 810 N 1.06 0.19 -0.26 2.33 4.81 -1.93 -0.97 114.58 119.81 4pax h GLU 810 Ca 0.34 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 4pax h GLU 810 Cb 0.02 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 4pax h GLU 810 CO -0.10 0.13 -0.56 0.00 -0.73 0.00 0.00 179.01 177.75 4pax h ALA 811 N 1.27 0.51 -0.33 2.92 0.00 -1.65 -2.90 119.26 119.09 4pax h ALA 811 Ca 0.17 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.59 4pax h ALA 811 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 4pax h ALA 811 CO -0.23 0.68 0.16 0.87 0.00 0.00 0.00 179.25 180.74 4pax h LYS 812 N 0.61 0.32 -0.39 0.00 1.57 -0.79 -1.01 116.57 116.89 4pax h LYS 812 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 4pax h LYS 812 Cb 1.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 4pax h LYS 812 CO 0.12 0.21 0.21 0.82 -0.57 0.00 0.00 179.45 180.25 4pax h ILE 813 N 0.33 1.15 -0.45 1.86 2.04 -1.20 -1.74 117.51 119.50 4pax h ILE 813 Ca 0.14 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 4pax h ILE 813 Cb 0.06 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 4pax h ILE 813 CO -0.10 0.16 0.11 0.40 0.00 0.00 0.00 178.15 178.71 4pax h ILE 814 N 0.50 1.20 -0.24 -0.67 2.04 -1.27 -0.53 117.51 118.53 4pax h ILE 814 Ca 0.14 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 65.16 4pax h ILE 814 Cb 0.06 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 4pax h ILE 814 CO -0.02 0.26 -0.39 0.11 0.00 0.00 0.00 178.15 178.11 4pax h LYS 815 N 0.65 0.56 -0.63 2.37 1.57 -0.96 -1.39 116.57 118.75 4pax h LYS 815 Ca 0.15 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 4pax h LYS 815 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 4pax h LYS 815 CO -0.00 0.86 0.09 0.37 -0.57 0.00 0.00 179.45 180.20 4pax h GLN 816 N 0.47 1.04 -0.61 3.15 5.75 -0.67 -0.53 115.11 123.72 4pax h GLN 816 Ca 0.04 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.19 4pax h GLN 816 Cb 0.89 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 4pax h GLN 816 CO 0.08 0.96 0.08 -0.92 -2.65 0.00 0.00 178.83 176.38 4pax h TYR 817 N 0.97 1.08 0.14 3.99 3.20 -0.85 -1.43 116.97 124.07 4pax h TYR 817 Ca 0.19 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 4pax h TYR 817 Cb 0.44 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.41 4pax h TYR 817 CO 0.03 0.93 -0.07 0.28 -1.64 0.00 0.00 178.16 177.70 4pax h VAL 818 N 0.92 1.01 0.79 1.81 2.07 -0.90 -3.00 116.25 118.95 4pax h VAL 818 Ca 0.18 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 4pax h VAL 818 Cb 0.45 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 4pax h VAL 818 CO 0.01 0.18 -0.40 0.50 0.02 0.00 0.00 177.57 177.88 4pax h LYS 819 N -0.57 -1.05 -0.46 1.57 3.64 -1.10 -3.26 116.57 115.34 4pax h LYS 819 Ca -0.02 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 4pax h LYS 819 Cb 0.44 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 4pax h LYS 819 CO 0.03 -0.70 0.32 -0.91 -2.27 0.00 0.00 179.45 175.92 4pax h ASN 820 N -1.08 0.19 -0.95 4.20 2.35 -1.40 -2.92 115.58 115.96 4pax h ASN 820 Ca -0.11 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.17 4pax h ASN 820 Cb 0.84 -0.04 -0.28 0.00 0.05 0.00 0.00 38.32 38.89 4pax h ASN 820 CO 0.16 0.11 0.60 0.35 -1.65 0.00 0.00 177.43 177.01 4pax n THR 821 N -4.45 3.14 -3.12 2.81 -2.24 -1.13 -3.37 114.28 105.92 4pax n THR 821 Ca 0.07 -1.85 -0.45 0.00 -2.27 0.00 0.00 64.05 59.55 4pax n THR 821 Cb 0.39 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 4pax n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 4pax s HIS 822 N -3.21 3.27 0.52 4.78 5.04 -1.10 -2.26 115.29 122.32 4pax s HIS 822 Ca 0.56 -1.41 -0.19 0.00 -1.54 0.00 0.00 55.06 52.49 4pax s HIS 822 Cb 0.47 -4.03 -0.12 0.00 0.04 0.00 0.00 32.58 28.93 4pax s HIS 822 CO 0.11 -1.26 0.24 0.00 -2.34 0.00 0.00 174.74 171.49 4pax n ALA 823 N 5.67 -2.05 -0.23 1.58 0.00 -1.26 -4.92 120.51 119.30 4pax n ALA 823 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 4pax n ALA 823 Cb 0.46 -1.63 0.04 0.00 0.00 0.00 0.00 19.45 18.31 4pax n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pax h ALA 824 N 0.20 0.83 0.00 0.00 0.00 -1.96 -2.97 119.26 115.37 4pax h ALA 824 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.35 4pax h ALA 824 Cb 1.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.96 4pax h ALA 824 CO 0.45 0.39 0.00 1.79 0.00 0.00 0.00 179.25 181.89 4pax h THR 825 N 0.89 0.00 -0.60 0.00 1.35 -2.04 -3.17 112.91 109.34 4pax h THR 825 Ca 0.22 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 4pax h THR 825 Cb 0.11 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 4pax h THR 825 CO -0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.65 4pax n HIS 826 N -2.42 1.33 -1.72 4.73 -0.00 -1.12 -4.64 115.22 111.38 4pax n HIS 826 Ca 0.04 -0.54 -0.36 0.00 -0.00 0.00 0.00 57.72 56.87 4pax n HIS 826 Cb 0.40 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.99 30.15 4pax n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 4pax n ASN 827 N 1.06 7.71 -0.78 0.41 3.02 -1.20 -3.91 115.26 121.57 4pax n ASN 827 Ca 0.24 -3.01 0.08 0.00 -0.03 0.00 0.00 54.58 51.85 4pax n ASN 827 Cb 0.81 -1.38 0.14 0.00 -0.61 0.00 0.00 39.78 38.74 4pax n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4pax n ALA 828 N 1.94 2.37 -3.57 5.41 0.00 -1.26 -4.98 120.51 120.42 4pax n ALA 828 Ca 0.62 -0.90 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 4pax n ALA 828 Cb 0.34 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 4pax n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 4pax s TYR 829 N -1.18 -0.30 0.64 0.00 -0.85 -1.25 -3.25 117.35 111.16 4pax s TYR 829 Ca 0.26 0.39 0.07 0.00 -0.52 0.00 0.00 57.07 57.26 4pax s TYR 829 Cb 0.15 0.49 0.11 0.00 0.38 0.00 0.00 41.96 43.09 4pax s TYR 829 CO 0.21 -0.34 0.88 -0.51 -1.52 0.00 0.00 175.55 174.27 4pax s ASP 830 N -1.62 4.79 -0.07 -0.18 1.01 0.11 -4.92 116.67 115.79 4pax s ASP 830 Ca 0.03 -0.77 -0.03 0.00 0.71 0.00 0.00 52.55 52.49 4pax s ASP 830 Cb -0.01 0.33 0.04 0.00 1.01 0.00 0.00 42.92 44.30 4pax s ASP 830 CO -0.03 -1.58 0.13 -0.22 0.21 0.00 0.00 175.17 173.68 4pax s LEU 831 N -4.85 0.29 -0.11 1.23 2.96 -1.26 -2.30 118.68 114.65 4pax s LEU 831 Ca 0.64 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 4pax s LEU 831 Cb -0.05 0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.85 4pax s LEU 831 CO 0.41 -0.21 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.25 4pax s LYS 832 N 1.84 3.02 -0.55 1.98 2.20 -0.18 -4.97 119.74 123.08 4pax s LYS 832 Ca -0.01 -0.87 -0.28 0.00 -0.36 0.00 0.00 55.97 54.45 4pax s LYS 832 Cb -0.12 -2.30 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 4pax s LYS 832 CO -0.05 0.15 1.25 0.08 -0.36 0.00 0.00 175.35 176.42 4pax s VAL 833 N 0.41 3.98 0.12 4.02 1.01 -1.26 -0.40 120.40 128.29 4pax s VAL 833 Ca -0.17 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 4pax s VAL 833 Cb -0.18 -4.61 -0.21 0.00 0.00 0.00 0.00 36.38 31.39 4pax s VAL 833 CO 0.07 -1.22 1.27 0.58 0.00 0.00 0.00 175.10 175.80 4pax h VAL 834 N 6.24 1.46 -1.68 2.92 2.07 -0.98 -3.48 116.25 122.80 4pax h VAL 834 Ca -0.25 -2.70 0.04 0.00 0.82 0.00 0.00 66.70 64.61 4pax h VAL 834 Cb 1.07 2.61 -0.23 0.00 -1.52 0.00 0.00 31.29 33.21 4pax h VAL 834 CO 1.17 0.80 0.42 -0.70 0.02 0.00 0.00 177.57 179.28 4pax s GLU 835 N -3.05 0.65 -0.09 1.57 2.56 -1.06 -4.97 118.70 114.32 4pax s GLU 835 Ca -0.04 0.40 0.04 0.00 0.00 0.00 0.00 54.97 55.36 4pax s GLU 835 Cb 0.09 0.31 0.00 0.00 2.00 0.00 0.00 34.13 36.53 4pax s GLU 835 CO 0.86 -0.16 -0.22 0.42 -0.56 0.00 0.00 175.26 175.61 4pax s ILE 836 N -0.52 1.88 -0.05 -3.70 1.01 -1.26 0.00 121.20 118.57 4pax s ILE 836 Ca -0.01 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.77 4pax s ILE 836 Cb -0.02 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 4pax s ILE 836 CO 0.00 0.52 -0.24 -0.36 0.00 0.00 0.00 174.94 174.87 4pax s PHE 837 N 0.33 2.28 -0.37 3.97 0.08 0.63 -1.06 117.98 123.85 4pax s PHE 837 Ca -0.16 -0.65 -0.19 0.00 0.12 0.00 0.00 56.93 56.06 4pax s PHE 837 Cb -0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 4pax s PHE 837 CO 0.07 -0.19 0.53 0.50 -0.10 0.00 0.00 175.22 176.04 4pax s ARG 838 N -0.18 3.53 0.01 0.44 6.06 0.85 -0.60 118.95 129.05 4pax s ARG 838 Ca -0.02 -0.22 0.04 0.00 -2.50 0.00 0.00 55.73 53.02 4pax s ARG 838 Cb -0.13 -3.84 -0.03 0.00 0.06 0.00 0.00 34.95 31.01 4pax s ARG 838 CO 0.03 -0.72 -0.08 0.96 -2.50 0.00 0.00 175.30 172.98 4pax s ILE 839 N 2.46 3.52 -0.31 4.11 -4.36 -0.41 -1.32 121.20 124.88 4pax s ILE 839 Ca 0.19 -0.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.73 4pax s ILE 839 Cb -0.15 -2.52 0.12 0.00 1.25 0.00 0.00 42.46 41.15 4pax s ILE 839 CO 0.14 0.39 0.16 -0.70 0.24 0.00 0.00 174.94 175.17 4pax s GLU 840 N -1.40 0.33 0.33 0.37 2.56 -0.57 -4.40 118.70 115.92 4pax s GLU 840 Ca 0.17 -0.84 -0.29 0.00 0.00 0.00 0.00 54.97 54.01 4pax s GLU 840 Cb -0.11 -1.23 -0.10 0.00 2.00 0.00 0.00 34.13 34.69 4pax s GLU 840 CO 0.07 -1.09 1.30 1.03 -0.56 0.00 0.00 175.26 176.01 4pax s ARG 841 N 1.70 4.37 0.04 4.30 0.52 -1.26 -2.28 118.95 126.34 4pax s ARG 841 Ca 0.12 2.20 -0.34 0.00 -0.52 0.00 0.00 55.73 57.19 4pax s ARG 841 Cb -0.19 -3.08 -0.13 0.00 0.52 0.00 0.00 34.95 32.07 4pax s ARG 841 CO -0.22 -0.18 1.69 -1.91 0.02 0.00 0.00 175.30 174.70 4pax n GLU 842 N 0.85 2.06 -0.89 3.54 2.13 -0.72 -2.18 120.64 125.43 4pax n GLU 842 Ca 0.00 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.57 4pax n GLU 842 Cb 0.42 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.59 4pax n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4pax n GLY 843 N 3.77 0.17 0.17 8.31 0.00 -1.26 -4.87 105.19 111.47 4pax n GLY 843 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 4pax n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 4pax h GLU 844 N 0.42 0.53 -0.10 1.61 4.81 -1.83 -2.97 114.58 117.05 4pax h GLU 844 Ca 0.00 -0.64 -0.01 0.00 -0.13 0.00 0.00 59.36 58.58 4pax h GLU 844 Cb 0.52 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 4pax h GLU 844 CO 0.00 1.25 0.02 0.77 -0.73 0.00 0.00 179.01 180.32 4pax h SER 845 N 0.27 0.11 -0.08 1.04 0.02 -1.90 -2.25 113.55 110.76 4pax h SER 845 Ca -0.13 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 4pax h SER 845 Cb 1.75 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.27 4pax h SER 845 CO 0.20 0.13 -0.53 -0.61 -1.14 0.00 0.00 176.83 174.88 4pax h GLN 846 N 0.13 0.49 0.00 3.45 5.75 -1.93 -2.59 115.11 120.41 4pax h GLN 846 Ca 0.03 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 4pax h GLN 846 Cb 0.06 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.71 4pax h GLN 846 CO -0.00 1.06 0.00 0.07 -2.65 0.00 0.00 178.83 177.31 4pax h ARG 847 N 0.07 0.00 0.00 1.69 0.11 -1.34 -2.62 114.38 112.29 4pax h ARG 847 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 4pax h ARG 847 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 4pax h ARG 847 CO 0.11 0.00 -0.84 0.98 0.10 0.00 0.00 179.97 180.32 4pax n TYR 848 N -2.42 0.12 -0.26 4.08 9.36 -0.87 -4.51 117.16 122.66 4pax n TYR 848 Ca 0.03 0.04 0.07 0.00 3.32 0.00 0.00 57.90 61.36 4pax n TYR 848 Cb 0.32 -0.28 0.21 0.00 -0.63 0.00 0.00 39.34 38.95 4pax n TYR 848 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 4pax h LYS 849 N 0.00 0.24 -0.09 2.98 1.79 -1.06 -0.84 116.57 119.58 4pax h LYS 849 Ca 0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 4pax h LYS 849 Cb 0.60 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 4pax h LYS 849 CO 0.00 0.16 0.15 -1.35 -1.08 0.00 0.00 179.45 177.33 4pax h PRO 850 N 0.25 0.00 -0.01 3.15 0.11 -1.80 -2.44 132.00 131.26 4pax h PRO 850 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 4pax h PRO 850 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 4pax h PRO 850 CO -0.56 0.00 -0.14 1.19 -0.21 0.00 0.00 178.00 178.28 4pax n PHE 851 N -3.55 0.00 0.44 0.65 3.72 -0.32 -3.45 117.46 114.95 4pax n PHE 851 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 4pax n PHE 851 Cb 0.24 -0.15 0.48 0.00 -0.94 0.00 0.00 39.48 39.11 4pax n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 4pax n LYS 852 N -0.80 0.20 0.24 -1.08 5.02 -0.92 -1.93 118.16 118.89 4pax n LYS 852 Ca 0.14 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.96 4pax n LYS 852 Cb 0.30 -1.85 0.44 0.00 -0.02 0.00 0.00 35.03 33.89 4pax n LYS 852 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 4pax h GLN 853 N 0.00 0.00 -7.21 1.97 1.08 -1.76 -3.45 115.11 105.73 4pax h GLN 853 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 4pax h GLN 853 Cb 0.42 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.88 4pax h GLN 853 CO 0.00 0.00 0.38 -0.51 -0.95 0.00 0.00 178.83 177.75 4pax s LEU 854 N -6.10 3.57 0.50 1.46 1.43 -0.82 -5.08 118.68 113.64 4pax s LEU 854 Ca 0.04 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.73 4pax s LEU 854 Cb 0.07 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.84 4pax s LEU 854 CO 0.60 -0.62 0.69 -1.38 0.23 0.00 0.00 176.35 175.86 4pax s HIS 855 N -2.70 2.55 -1.10 0.29 -3.43 -1.26 -4.61 115.29 105.02 4pax s HIS 855 Ca 0.58 -0.32 -0.02 0.00 -0.80 0.00 0.00 55.06 54.50 4pax s HIS 855 Cb -0.10 -2.51 -0.02 0.00 -1.43 0.00 0.00 32.58 28.52 4pax s HIS 855 CO 0.35 -0.74 0.93 -1.71 -2.00 0.00 0.00 174.74 171.57 4pax n ASN 856 N -2.11 -3.45 -4.63 7.38 5.15 -1.26 -1.24 115.26 115.10 4pax n ASN 856 Ca 0.10 -0.62 -0.38 0.00 -0.60 0.00 0.00 54.58 53.07 4pax n ASN 856 Cb 0.60 -4.96 -0.09 0.00 -0.53 0.00 0.00 39.78 34.80 4pax n ASN 856 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 4pax s ARG 857 N -4.99 4.06 0.28 1.20 0.52 -1.26 -2.21 118.95 116.55 4pax s ARG 857 Ca 0.14 -0.03 0.09 0.00 -0.52 0.00 0.00 55.73 55.41 4pax s ARG 857 Cb -0.02 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 4pax s ARG 857 CO 0.70 -0.13 -0.13 -0.65 0.02 0.00 0.00 175.30 175.12 4pax s GLN 858 N 1.61 1.61 -0.64 3.54 -0.21 -0.64 -1.91 119.66 123.02 4pax s GLN 858 Ca 0.13 -1.78 -0.15 0.00 0.02 0.00 0.00 55.36 53.58 4pax s GLN 858 Cb -0.15 -1.47 0.16 0.00 1.00 0.00 0.00 33.01 32.55 4pax s GLN 858 CO 0.08 0.18 0.59 -1.17 -2.12 0.00 0.00 175.29 172.85 4pax s LEU 859 N -3.48 6.38 0.40 2.90 2.96 -0.15 0.00 118.68 127.69 4pax s LEU 859 Ca 0.29 -2.12 0.08 0.00 -0.22 0.00 0.00 54.13 52.15 4pax s LEU 859 Cb -0.00 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 4pax s LEU 859 CO 0.13 -0.75 0.42 -0.76 -1.32 0.00 0.00 176.35 174.07 4pax s LEU 860 N 1.07 3.54 0.10 -0.68 1.43 -0.36 -4.68 118.68 119.09 4pax s LEU 860 Ca 0.08 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 4pax s LEU 860 Cb -0.23 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 4pax s LEU 860 CO -0.01 -0.62 0.26 0.26 0.23 0.00 0.00 176.35 176.46 4pax s TRP 861 N -2.39 3.51 -0.21 0.29 0.52 -0.29 -1.28 118.94 119.09 4pax s TRP 861 Ca 0.49 0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.83 4pax s TRP 861 Cb -0.06 -1.77 0.10 0.00 -1.15 0.00 0.00 33.47 30.59 4pax s TRP 861 CO 0.29 0.54 0.30 -1.58 0.02 0.00 0.00 176.95 176.53 4pax s HIS 862 N -1.60 -0.55 0.11 -1.98 2.46 -0.79 -1.54 115.29 111.39 4pax s HIS 862 Ca 0.36 0.68 0.03 0.00 0.47 0.00 0.00 55.06 56.60 4pax s HIS 862 Cb -0.12 -0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.18 4pax s HIS 862 CO 0.28 -0.60 0.14 0.20 -2.47 0.00 0.00 174.74 172.29 4pax s GLY 863 N 2.45 1.91 0.20 1.59 0.00 -1.26 -1.43 107.32 110.78 4pax s GLY 863 Ca 0.08 -1.05 -0.23 0.00 0.00 0.00 0.00 44.72 43.51 4pax s GLY 863 CO -0.13 -1.04 0.80 -0.45 0.00 0.00 0.00 173.10 172.28 4pax s SER 864 N -2.73 -0.28 0.53 1.64 0.15 -1.24 -4.65 113.70 107.13 4pax s SER 864 Ca 0.31 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.35 4pax s SER 864 Cb -0.12 0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 4pax s SER 864 CO 0.24 -1.09 1.14 -0.13 1.20 0.00 0.00 173.24 174.59 4pax s ARG 865 N -3.62 3.39 0.56 5.44 0.52 -1.21 -4.24 118.95 119.78 4pax s ARG 865 Ca 0.10 1.64 0.23 0.00 -0.52 0.00 0.00 55.73 57.18 4pax s ARG 865 Cb -0.03 -2.05 1.56 0.00 0.52 0.00 0.00 34.95 34.94 4pax s ARG 865 CO 0.02 -0.83 2.20 1.79 0.02 0.00 0.00 175.30 178.50 4pax h THR 866 N 1.27 0.75 0.00 0.02 1.35 -1.91 -0.64 112.91 113.75 4pax h THR 866 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 4pax h THR 866 Cb 1.26 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 4pax h THR 866 CO 0.57 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.19 4pax n THR 867 N -4.18 1.16 0.80 6.82 -2.24 -1.26 -2.13 114.28 113.25 4pax n THR 867 Ca -0.03 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 4pax n THR 867 Cb 0.10 -1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 4pax n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 4pax n ASN 868 N -1.46 0.73 0.21 3.42 3.02 -0.25 -4.22 115.26 116.71 4pax n ASN 868 Ca 0.03 -0.59 0.06 0.00 -0.03 0.00 0.00 54.58 54.05 4pax n ASN 868 Cb 0.12 0.92 0.47 0.00 -0.61 0.00 0.00 39.78 40.69 4pax n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 4pax h PHE 869 N 0.00 0.00 -0.32 3.10 0.04 -1.54 0.68 116.94 118.90 4pax h PHE 869 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 4pax h PHE 869 Cb 0.60 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 4pax h PHE 869 CO 0.00 0.28 -0.30 0.00 -0.60 0.00 0.00 178.31 177.69 4pax h ALA 870 N 1.72 0.87 -0.10 2.45 0.00 -1.80 -1.13 119.26 121.28 4pax h ALA 870 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 4pax h ALA 870 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 4pax h ALA 870 CO 0.04 0.63 -0.09 0.78 0.00 0.00 0.00 179.25 180.60 4pax h GLY 871 N 0.99 0.26 0.98 0.00 0.00 -1.58 -1.86 103.07 101.86 4pax h GLY 871 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 4pax h GLY 871 CO 0.07 0.24 0.21 -2.22 0.00 0.00 0.00 176.54 174.84 4pax h ILE 872 N -0.16 1.12 -0.50 2.60 2.04 -0.83 -0.47 117.51 121.31 4pax h ILE 872 Ca 0.02 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 4pax h ILE 872 Cb 0.60 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 4pax h ILE 872 CO 0.02 0.12 -0.04 -0.07 0.00 0.00 0.00 178.15 178.18 4pax h LEU 873 N 0.46 0.90 0.11 1.44 3.38 -1.24 0.77 115.31 121.13 4pax h LEU 873 Ca 0.13 -0.33 -0.29 0.00 0.09 0.00 0.00 57.88 57.48 4pax h LEU 873 Cb 0.01 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.54 4pax h LEU 873 CO -0.02 1.02 -1.26 0.77 0.09 0.00 0.00 178.44 179.03 4pax h SER 874 N 0.77 0.71 0.00 -0.43 4.64 -1.25 -3.36 113.55 114.64 4pax h SER 874 Ca 0.14 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 4pax h SER 874 Cb 0.58 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 4pax h SER 874 CO 0.03 1.52 -1.17 0.00 -0.87 0.00 0.00 176.83 176.34 4pax n GLN 875 N -3.70 0.87 0.00 4.77 1.13 -0.19 -4.99 117.38 115.26 4pax n GLN 875 Ca -0.12 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 4pax n GLN 875 Cb 1.00 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.97 4pax n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 4pax n GLY 876 N 1.43 -1.60 3.78 1.08 0.00 0.27 -4.83 105.19 105.32 4pax n GLY 876 Ca 0.01 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 4pax n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4pax s LEU 877 N -4.00 3.88 0.09 0.99 1.43 -1.26 -4.55 118.68 115.27 4pax s LEU 877 Ca 0.00 2.18 -0.10 0.00 -1.03 0.00 0.00 54.13 55.18 4pax s LEU 877 Cb 0.00 -4.43 0.01 0.00 0.03 0.00 0.00 46.19 41.79 4pax s LEU 877 CO 0.00 -1.01 0.23 0.00 0.23 0.00 0.00 176.35 175.80 4pax s ARG 878 N -3.02 0.89 0.42 1.70 1.70 -1.26 -4.95 118.95 114.42 4pax s ARG 878 Ca 0.68 -0.90 -0.16 0.00 -0.47 0.00 0.00 55.73 54.87 4pax s ARG 878 Cb -0.24 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.41 4pax s ARG 878 CO 0.29 -0.30 0.87 0.96 -1.08 0.00 0.00 175.30 176.04 4pax s ILE 879 N -3.83 4.58 0.58 4.99 -0.00 -1.26 -4.85 121.20 121.42 4pax s ILE 879 Ca 0.04 1.10 -0.20 0.00 -0.00 0.00 0.00 60.65 61.59 4pax s ILE 879 Cb 0.04 -3.66 -0.03 0.00 -0.00 0.00 0.00 42.46 38.81 4pax s ILE 879 CO -0.11 -0.42 1.34 0.00 -0.00 0.00 0.00 174.94 175.76 4pax s ALA 880 N -2.28 2.66 1.07 2.27 0.00 -1.26 -4.98 121.76 119.24 4pax s ALA 880 Ca 0.57 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.72 4pax s ALA 880 Cb -0.10 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.68 4pax s ALA 880 CO 0.22 -1.48 1.08 -1.25 0.00 0.00 0.00 175.76 174.33 4pax s PRO 881 N -3.08 -0.17 0.50 0.00 0.04 -1.26 -4.89 135.00 126.14 4pax s PRO 881 Ca 0.76 1.15 0.22 0.00 0.04 0.00 0.00 61.00 63.16 4pax s PRO 881 Cb -0.40 -1.62 1.29 0.00 0.04 0.00 0.00 34.50 33.81 4pax s PRO 881 CO 0.45 -3.32 1.99 -1.35 0.04 0.00 0.00 177.00 174.82 4pax h PRO 882 N -2.34 0.11 -0.03 0.56 0.11 -2.01 -2.46 132.00 125.94 4pax h PRO 882 Ca -0.54 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 4pax h PRO 882 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 4pax h PRO 882 CO 0.46 0.08 -0.51 0.93 -0.21 0.00 0.00 178.00 178.75 4pax h GLU 883 N 0.12 0.07 -6.93 1.05 3.07 -1.91 -3.45 114.58 106.60 4pax h GLU 883 Ca 0.26 -0.04 -0.54 0.00 -0.50 0.00 0.00 59.36 58.55 4pax h GLU 883 Cb 0.88 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.90 4pax h GLU 883 CO -0.03 0.57 0.76 0.00 -1.40 0.00 0.00 179.01 178.90 4pax s ALA 884 N -3.88 3.57 0.32 3.43 0.00 -0.93 -4.11 121.76 120.16 4pax s ALA 884 Ca -0.03 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.17 4pax s ALA 884 Cb 0.13 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 4pax s ALA 884 CO 0.76 -0.98 1.18 -1.25 0.00 0.00 0.00 175.76 175.47 4pax s PRO 885 N -1.96 4.44 0.41 0.00 0.04 -1.26 -4.91 135.00 131.76 4pax s PRO 885 Ca 0.52 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.61 4pax s PRO 885 Cb -0.45 -3.05 0.88 0.00 0.04 0.00 0.00 34.50 31.92 4pax s PRO 885 CO 0.61 -0.02 1.98 0.28 0.04 0.00 0.00 177.00 179.89 4pax h VAL 886 N 2.93 1.13 0.00 -0.36 2.07 -1.95 -2.49 116.25 117.58 4pax h VAL 886 Ca -0.48 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 4pax h VAL 886 Cb 1.22 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 4pax h VAL 886 CO 0.66 0.18 -0.00 0.74 0.02 0.00 0.00 177.57 179.16 4pax h THR 887 N 0.25 0.72 0.00 2.57 2.02 -1.94 -2.48 112.91 114.05 4pax h THR 887 Ca 0.06 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.23 4pax h THR 887 Cb 0.23 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 4pax h THR 887 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 4pax n GLY 888 N -1.41 -0.57 3.13 2.16 0.00 -0.94 -4.63 105.19 102.94 4pax n GLY 888 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 4pax n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4pax s TYR 889 N -2.80 1.32 0.15 1.61 1.51 -0.93 -4.89 117.35 113.32 4pax s TYR 889 Ca 0.04 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.64 4pax s TYR 889 Cb 0.03 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 4pax s TYR 889 CO 0.09 0.00 1.72 1.98 -1.11 0.00 0.00 175.55 178.23 4pax h MET 890 N 5.48 0.12 -0.41 -0.62 4.05 -1.85 -2.99 114.93 118.70 4pax h MET 890 Ca -0.36 -0.01 -0.28 0.00 -0.28 0.00 0.00 59.70 58.77 4pax h MET 890 Cb 1.17 -0.03 -0.20 0.00 -0.80 0.00 0.00 31.60 31.74 4pax h MET 890 CO 0.47 0.08 -0.46 1.19 0.23 0.00 0.00 176.91 178.42 4pax n PHE 891 N -5.14 1.43 -1.90 1.39 3.72 -1.26 -2.04 117.46 113.67 4pax n PHE 891 Ca 0.00 -1.88 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 4pax n PHE 891 Cb 0.15 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 4pax n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4pax n GLY 892 N -0.96 -2.29 3.52 1.37 0.00 -1.13 -4.20 105.19 101.51 4pax n GLY 892 Ca 0.34 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 4pax n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pax s LYS 893 N -0.34 3.94 0.00 1.61 1.02 -1.26 -4.75 119.74 119.95 4pax s LYS 893 Ca 0.00 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 53.92 4pax s LYS 893 Cb 0.00 -5.28 0.00 0.00 -0.52 0.00 0.00 37.83 32.03 4pax s LYS 893 CO 0.00 -2.03 0.00 0.41 -0.92 0.00 0.00 175.35 172.81 4pax n GLY 894 N 5.14 5.74 3.24 -3.33 0.00 -1.26 -4.71 105.19 110.02 4pax n GLY 894 Ca 0.40 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 4pax n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pax s ILE 895 N 0.21 2.54 -0.00 -0.61 1.01 0.00 -4.62 121.20 119.73 4pax s ILE 895 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 4pax s ILE 895 Cb 0.00 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 4pax s ILE 895 CO 0.00 0.52 0.25 -0.31 0.00 0.00 0.00 174.94 175.40 4pax s TYR 896 N 0.83 3.58 0.21 3.97 1.51 -1.26 -2.46 117.35 123.73 4pax s TYR 896 Ca -0.05 0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 56.54 4pax s TYR 896 Cb -0.15 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 4pax s TYR 896 CO -0.01 0.62 0.17 -0.06 -1.11 0.00 0.00 175.55 175.17 4pax s PHE 897 N -1.28 1.09 0.13 2.71 0.08 0.23 -4.79 117.98 116.14 4pax s PHE 897 Ca 0.27 -1.32 -0.06 0.00 0.12 0.00 0.00 56.93 55.94 4pax s PHE 897 Cb -0.13 -0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 41.82 4pax s PHE 897 CO 0.16 -0.68 0.18 0.00 -0.10 0.00 0.00 175.22 174.77 4pax s ALA 898 N -4.13 0.20 -0.71 5.36 0.00 -0.59 -1.19 121.76 120.70 4pax s ALA 898 Ca 0.37 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.45 4pax s ALA 898 Cb 0.06 0.73 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 4pax s ALA 898 CO 0.12 -0.55 0.54 -0.40 0.00 0.00 0.00 175.76 175.46 4pax n ASP 899 N -0.12 0.83 -4.42 0.00 5.68 -1.26 -1.14 116.55 116.11 4pax n ASP 899 Ca -0.09 -0.91 -0.36 0.00 -0.50 0.00 0.00 54.79 52.92 4pax n ASP 899 Cb 0.63 0.77 -0.13 0.00 -1.14 0.00 0.00 41.12 41.25 4pax n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 4pax s MET 900 N -1.75 3.57 0.45 0.11 -1.94 -1.26 -4.82 119.30 113.65 4pax s MET 900 Ca 0.06 -0.53 0.18 0.00 -1.71 0.00 0.00 55.69 53.69 4pax s MET 900 Cb 0.08 -3.30 1.12 0.00 2.01 0.00 0.00 34.83 34.75 4pax s MET 900 CO 0.36 -0.22 1.93 -0.24 -0.01 0.00 0.00 175.02 176.85 4pax h VAL 901 N 5.59 0.77 -0.15 -6.03 3.04 -1.74 -2.26 116.25 115.46 4pax h VAL 901 Ca -0.38 -0.11 0.05 0.00 -1.01 0.00 0.00 66.70 65.25 4pax h VAL 901 Cb 1.17 0.41 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 4pax h VAL 901 CO 0.58 0.06 -0.29 0.28 -1.01 0.00 0.00 177.57 177.19 4pax h SER 902 N 0.33 -0.91 -0.27 3.17 0.02 -1.91 0.29 113.55 114.28 4pax h SER 902 Ca 0.35 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.46 4pax h SER 902 Cb 0.91 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 4pax h SER 902 CO -0.10 -0.33 0.14 0.50 -1.14 0.00 0.00 176.83 175.90 4pax h LYS 903 N -0.35 0.28 -0.19 3.45 3.64 -1.73 -3.04 116.57 118.63 4pax h LYS 903 Ca 0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 4pax h LYS 903 Cb 0.51 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 4pax h LYS 903 CO -0.35 0.19 -0.04 0.77 -2.27 0.00 0.00 179.45 177.74 4pax h SER 904 N 0.29 0.37 -1.38 4.20 0.02 -1.55 -3.14 113.55 112.37 4pax h SER 904 Ca 0.11 -0.36 0.40 0.00 -0.84 0.00 0.00 61.79 61.10 4pax h SER 904 Cb 0.03 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 4pax h SER 904 CO -0.07 0.65 0.99 0.00 -1.14 0.00 0.00 176.83 177.25 4pax h ALA 905 N 0.73 3.29 0.00 3.77 0.00 -0.83 0.51 119.26 126.74 4pax h ALA 905 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 4pax h ALA 905 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 4pax h ALA 905 CO 0.02 -1.69 0.00 -0.91 0.00 0.00 0.00 179.25 176.67 4pax h ASN 906 N 0.01 0.00 0.16 0.00 2.35 -1.48 -2.44 115.58 114.17 4pax h ASN 906 Ca 0.66 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.41 4pax h ASN 906 Cb 2.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.99 4pax h ASN 906 CO -0.01 0.00 -0.08 -1.22 -1.65 0.00 0.00 177.43 174.46 4pax n TYR 907 N -2.94 0.00 0.20 1.19 4.01 0.18 -3.51 117.16 116.29 4pax n TYR 907 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 4pax n TYR 907 Cb 0.30 -0.08 0.32 0.00 -0.31 0.00 0.00 39.34 39.56 4pax n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 4pax n HIS 909 N -3.32 -2.15 -2.47 0.00 8.25 -1.23 -4.24 115.22 110.07 4pax n HIS 909 Ca 0.01 0.89 -0.25 0.00 -0.26 0.00 0.00 57.72 58.11 4pax n HIS 909 Cb 0.52 -4.46 0.12 0.00 1.12 0.00 0.00 29.99 27.28 4pax n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 4pax s THR 910 N -3.50 2.13 0.31 1.59 -4.23 -1.26 -5.05 115.64 105.63 4pax s THR 910 Ca 0.22 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.09 4pax s THR 910 Cb -0.11 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.15 4pax s THR 910 CO 0.80 0.00 0.78 -1.54 -0.54 0.00 0.00 174.62 174.11 4pax n SER 911 N -2.97 -1.97 -0.32 3.99 3.41 0.70 -4.96 113.62 111.51 4pax n SER 911 Ca 0.15 -2.30 -0.04 0.00 -0.26 0.00 0.00 58.87 56.42 4pax n SER 911 Cb 0.60 3.27 0.08 0.00 -0.26 0.00 0.00 64.21 67.90 4pax n SER 911 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 4pax h GLN 912 N 0.00 1.15 0.00 4.33 -0.00 -1.98 -2.20 115.11 116.40 4pax h GLN 912 Ca -0.29 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.20 4pax h GLN 912 Cb 1.12 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 4pax h GLN 912 CO 0.37 0.79 -0.32 0.00 0.00 0.00 0.00 178.83 179.68 4pax h ALA 913 N 1.29 0.87 -2.55 3.38 0.00 -2.00 -3.37 119.26 116.87 4pax h ALA 913 Ca 0.31 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 54.34 4pax h ALA 913 Cb -0.08 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.27 4pax h ALA 913 CO -0.06 0.40 -0.88 0.34 0.00 0.00 0.00 179.25 179.05 4pax s ASP 914 N -6.31 2.44 0.06 0.00 2.15 -0.88 -5.02 116.67 109.11 4pax s ASP 914 Ca 0.03 -2.71 0.26 0.00 0.43 0.00 0.00 52.55 50.56 4pax s ASP 914 Cb 0.08 -0.54 0.72 0.00 -0.30 0.00 0.00 42.92 42.88 4pax s ASP 914 CO 0.69 -0.23 1.59 -0.81 -0.17 0.00 0.00 175.17 176.24 4pax n PRO 915 N 3.35 0.11 -3.27 4.34 -0.04 -0.90 -0.21 135.00 138.37 4pax n PRO 915 Ca 0.20 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 4pax n PRO 915 Cb 0.41 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 4pax n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 4pax s ILE 916 N -3.05 5.13 0.25 0.52 -1.09 -1.26 -1.24 121.20 120.45 4pax s ILE 916 Ca 0.11 0.93 0.10 0.00 -2.23 0.00 0.00 60.65 59.56 4pax s ILE 916 Cb 0.16 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 4pax s ILE 916 CO 0.64 0.21 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.55 4pax s GLY 917 N 1.06 1.68 0.07 6.18 0.00 0.32 -4.97 107.32 111.67 4pax s GLY 917 Ca 0.24 -1.78 0.06 0.00 0.00 0.00 0.00 44.72 43.24 4pax s GLY 917 CO 0.10 -1.87 -0.09 1.08 0.00 0.00 0.00 173.10 172.32 4pax s LEU 918 N -3.40 3.07 -0.16 0.66 1.43 -1.26 -0.42 118.68 118.60 4pax s LEU 918 Ca 0.26 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 4pax s LEU 918 Cb -0.03 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.40 4pax s LEU 918 CO 0.11 0.21 0.41 -0.51 0.23 0.00 0.00 176.35 176.81 4pax s ILE 919 N -1.14 -0.01 0.24 -0.59 2.07 -0.68 -4.15 121.20 116.94 4pax s ILE 919 Ca 0.20 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.47 4pax s ILE 919 Cb -0.11 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 4pax s ILE 919 CO 0.12 0.02 0.44 -0.76 -1.91 0.00 0.00 174.94 172.85 4pax s LEU 920 N 0.74 4.17 -0.22 8.50 1.43 -0.52 -0.19 118.68 132.59 4pax s LEU 920 Ca -0.04 0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.49 4pax s LEU 920 Cb -0.05 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 43.00 4pax s LEU 920 CO -0.05 -0.11 -0.03 -0.76 0.23 0.00 0.00 176.35 175.62 4pax s LEU 921 N -3.58 2.23 0.12 1.79 1.43 0.11 -1.89 118.68 118.89 4pax s LEU 921 Ca 0.39 -1.09 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 4pax s LEU 921 Cb -0.11 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 4pax s LEU 921 CO 0.30 -0.25 -0.21 -0.83 0.23 0.00 0.00 176.35 175.59 4pax s GLY 922 N 1.51 1.64 -0.18 -3.19 0.00 -0.40 -1.08 107.32 105.61 4pax s GLY 922 Ca -0.05 -1.38 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 4pax s GLY 922 CO -0.07 -1.35 0.81 1.85 0.00 0.00 0.00 173.10 174.34 4pax s GLU 923 N -2.06 4.27 -0.14 2.90 2.12 0.17 -1.23 118.70 124.74 4pax s GLU 923 Ca 0.16 0.96 0.02 0.00 0.36 0.00 0.00 54.97 56.46 4pax s GLU 923 Cb -0.10 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.72 4pax s GLU 923 CO 0.08 -0.34 -0.18 0.54 -0.54 0.00 0.00 175.26 174.83 4pax s VAL 924 N 2.20 1.76 -1.07 3.70 0.11 0.10 -1.45 120.40 125.75 4pax s VAL 924 Ca 0.37 -0.78 -0.22 0.00 -2.93 0.00 0.00 61.98 58.41 4pax s VAL 924 Cb -0.16 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.11 4pax s VAL 924 CO 0.11 0.49 1.67 0.00 -3.33 0.00 0.00 175.10 174.04 4pax s ALA 925 N 1.10 2.52 0.03 1.54 0.00 -0.37 -1.61 121.76 124.97 4pax s ALA 925 Ca -0.02 -2.23 -0.17 0.00 0.00 0.00 0.00 51.96 49.53 4pax s ALA 925 Cb -0.14 -4.58 -0.25 0.00 0.00 0.00 0.00 23.12 18.16 4pax s ALA 925 CO -0.05 -3.97 1.12 -0.07 0.00 0.00 0.00 175.76 172.78 4pax h LEU 926 N 14.34 0.70 0.00 0.00 3.38 -1.64 -3.47 115.31 128.61 4pax h LEU 926 Ca 0.23 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.43 4pax h LEU 926 Cb 0.97 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.51 4pax h LEU 926 CO 1.37 1.38 0.00 0.61 0.09 0.00 0.00 178.44 181.89 4pax n GLY 927 N 1.15 2.81 3.60 0.83 0.00 -0.37 -3.66 105.19 109.55 4pax n GLY 927 Ca -0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 4pax n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4pax s ASN 928 N -4.00 6.63 0.15 1.61 0.01 -1.26 -4.71 114.94 113.37 4pax s ASN 928 Ca 0.00 0.49 -0.26 0.00 -0.71 0.00 0.00 52.86 52.39 4pax s ASN 928 Cb 0.00 -2.44 -0.08 0.00 0.41 0.00 0.00 41.25 39.15 4pax s ASN 928 CO 0.00 -0.80 0.80 -0.04 -1.51 0.00 0.00 177.10 175.55 4pax s MET 929 N 3.31 4.59 -0.74 -0.60 -1.94 -1.26 -0.90 119.30 121.77 4pax s MET 929 Ca 0.35 1.19 -0.19 0.00 -1.71 0.00 0.00 55.69 55.33 4pax s MET 929 Cb -0.12 -3.28 0.12 0.00 2.01 0.00 0.00 34.83 33.55 4pax s MET 929 CO 0.18 0.52 0.89 -0.47 -0.01 0.00 0.00 175.02 176.12 4pax s TYR 930 N -0.96 3.07 -0.06 -0.03 5.04 0.03 -4.91 117.35 119.52 4pax s TYR 930 Ca 0.37 -1.15 -0.30 0.00 -2.44 0.00 0.00 57.07 53.56 4pax s TYR 930 Cb -0.23 -4.12 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 4pax s TYR 930 CO 0.26 -1.38 1.28 -1.21 -1.34 0.00 0.00 175.55 173.17 4pax s GLU 931 N 2.63 4.30 0.05 4.97 2.02 -1.26 -2.31 118.70 129.10 4pax s GLU 931 Ca 0.21 1.77 0.08 0.00 0.02 0.00 0.00 54.97 57.04 4pax s GLU 931 Cb -0.15 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 4pax s GLU 931 CO 0.00 -0.55 -0.22 -0.51 0.02 0.00 0.00 175.26 174.00 4pax s LEU 932 N 2.60 2.17 0.00 1.80 1.43 -0.39 -4.96 118.68 121.32 4pax s LEU 932 Ca 0.58 -0.54 0.17 0.00 -1.03 0.00 0.00 54.13 53.31 4pax s LEU 932 Cb -0.26 -1.04 -0.16 0.00 0.03 0.00 0.00 46.19 44.76 4pax s LEU 932 CO 0.22 0.18 0.74 0.29 0.23 0.00 0.00 176.35 178.01 4pax n LYS 933 N 1.81 1.47 -4.03 1.70 5.02 -1.26 -1.27 118.16 121.60 4pax n LYS 933 Ca -0.17 -0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 55.92 4pax n LYS 933 Cb 0.53 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 4pax n LYS 933 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 4pax s ASN 934 N -2.51 0.36 0.87 4.39 4.22 -1.26 -1.23 114.94 119.78 4pax s ASN 934 Ca 0.08 -0.92 -0.13 0.00 -2.14 0.00 0.00 52.86 49.74 4pax s ASN 934 Cb 0.13 0.25 0.04 0.00 1.28 0.00 0.00 41.25 42.95 4pax s ASN 934 CO 0.65 -0.65 0.67 0.00 -2.04 0.00 0.00 177.10 175.73 4pax n ALA 935 N 0.04 -1.65 -3.48 3.54 0.00 -1.26 -5.03 120.51 112.67 4pax n ALA 935 Ca -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 52.85 4pax n ALA 935 Cb 0.62 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 4pax n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 4pax s SER 936 N -1.97 -0.78 -1.50 0.00 0.15 -0.86 -5.05 113.70 103.69 4pax s SER 936 Ca 0.63 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 58.21 4pax s SER 936 Cb -0.26 1.88 0.01 0.00 -1.71 0.00 0.00 66.02 65.94 4pax s SER 936 CO 0.61 -0.15 2.43 1.41 1.20 0.00 0.00 173.24 178.74 4pax n HIS 937 N 5.15 3.14 -1.68 3.44 8.25 -1.26 -3.70 115.22 128.56 4pax n HIS 937 Ca -0.10 -3.00 -0.45 0.00 -0.26 0.00 0.00 57.72 53.91 4pax n HIS 937 Cb 0.51 -2.48 -0.04 0.00 1.12 0.00 0.00 29.99 29.10 4pax n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 4pax n ILE 938 N 4.44 0.03 -0.02 1.59 5.41 -1.26 -4.82 119.36 124.73 4pax n ILE 938 Ca 0.60 -0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.30 4pax n ILE 938 Cb 0.34 -1.68 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 4pax n ILE 938 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 4pax n THR 939 N 3.64 0.24 -4.31 1.39 -1.04 -1.26 -4.37 114.28 108.57 4pax n THR 939 Ca 0.17 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.79 4pax n THR 939 Cb 0.31 -1.44 -0.09 0.00 -1.82 0.00 0.00 70.33 67.28 4pax n THR 939 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 4pax s LYS 940 N -2.08 2.67 -0.16 -2.82 1.02 -1.26 -5.09 119.74 112.02 4pax s LYS 940 Ca -0.06 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.18 4pax s LYS 940 Cb 0.02 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 4pax s LYS 940 CO 0.08 0.60 0.06 -1.17 -0.92 0.00 0.00 175.35 174.01 4pax s LEU 941 N -1.63 3.87 0.38 3.17 2.96 -1.26 -5.07 118.68 121.09 4pax s LEU 941 Ca 0.20 0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.98 4pax s LEU 941 Cb -0.11 -1.96 -0.11 0.00 0.50 0.00 0.00 46.19 44.51 4pax s LEU 941 CO 0.11 0.24 1.50 -2.84 -1.32 0.00 0.00 176.35 174.04 4pax s PRO 942 N -0.04 4.09 0.11 0.98 0.02 -1.26 -4.89 135.00 134.01 4pax s PRO 942 Ca 0.06 2.60 -0.36 0.00 0.02 0.00 0.00 61.00 63.32 4pax s PRO 942 Cb -0.12 -2.96 -0.16 0.00 0.02 0.00 0.00 34.50 31.28 4pax s PRO 942 CO 0.01 -0.56 1.35 1.63 -0.33 0.00 0.00 177.00 179.10 4pax n LYS 943 N 0.49 1.30 -0.41 5.54 4.76 -1.26 -0.71 118.16 127.88 4pax n LYS 943 Ca 0.01 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 4pax n LYS 943 Cb 0.39 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 4pax n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 4pax n GLY 944 N 2.56 0.90 3.70 0.72 0.00 -1.26 -5.05 105.19 106.76 4pax n GLY 944 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 4pax n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pax s LYS 945 N -0.49 2.99 -0.00 1.61 -0.14 0.12 -4.57 119.74 119.25 4pax s LYS 945 Ca 0.00 -0.42 0.09 0.00 -1.36 0.00 0.00 55.97 54.28 4pax s LYS 945 Cb 0.00 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.24 4pax s LYS 945 CO 0.00 0.70 0.33 0.72 -0.76 0.00 0.00 175.35 176.33 4pax n HIS 946 N 1.99 0.00 -3.82 3.18 8.25 -0.07 -4.80 115.22 119.95 4pax n HIS 946 Ca -0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.23 4pax n HIS 946 Cb 0.54 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.60 4pax n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 4pax s SER 947 N -2.09 -0.10 0.09 0.41 1.04 -1.24 -4.60 113.70 107.21 4pax s SER 947 Ca 0.02 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 55.83 4pax s SER 947 Cb 0.06 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 4pax s SER 947 CO 0.36 -1.18 -0.10 -0.69 0.98 0.00 0.00 173.24 172.61 4pax s VAL 948 N -2.84 3.37 -0.15 5.02 1.01 0.08 -0.79 120.40 126.08 4pax s VAL 948 Ca 0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 4pax s VAL 948 Cb -0.03 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.84 4pax s VAL 948 CO 0.06 0.15 0.04 -0.75 0.00 0.00 0.00 175.10 174.61 4pax s LYS 949 N -2.08 0.46 -0.12 2.72 2.20 -0.98 -1.77 119.74 120.18 4pax s LYS 949 Ca 0.21 -0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.37 4pax s LYS 949 Cb -0.11 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 4pax s LYS 949 CO 0.13 -0.55 0.90 0.20 -0.36 0.00 0.00 175.35 175.66 4pax s GLY 950 N 1.97 2.33 0.14 5.54 0.00 0.34 -1.26 107.32 116.37 4pax s GLY 950 Ca 0.01 0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.70 4pax s GLY 950 CO -0.07 1.72 0.83 1.08 0.00 0.00 0.00 173.10 176.65 4pax s LEU 951 N 1.85 4.55 0.41 0.66 1.43 -0.40 -1.78 118.68 125.41 4pax s LEU 951 Ca 0.44 1.66 0.07 0.00 -1.03 0.00 0.00 54.13 55.27 4pax s LEU 951 Cb -0.18 -3.37 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 4pax s LEU 951 CO 0.17 0.11 0.08 -0.83 0.23 0.00 0.00 176.35 176.11 4pax s GLY 952 N -0.70 2.45 0.36 -3.19 0.00 -1.26 -4.10 107.32 100.89 4pax s GLY 952 Ca 0.39 -2.19 0.25 0.00 0.00 0.00 0.00 44.72 43.17 4pax s GLY 952 CO 0.27 -2.03 1.71 0.50 0.00 0.00 0.00 173.10 173.55 4pax h LYS 953 N 1.62 0.00 -4.75 2.90 1.57 -0.99 -3.43 116.57 113.49 4pax h LYS 953 Ca -0.43 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.96 4pax h LYS 953 Cb 1.25 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.28 4pax h LYS 953 CO 0.76 0.00 -0.78 0.99 -0.57 0.00 0.00 179.45 179.86 4pax s THR 954 N -3.23 0.72 0.08 -0.16 2.01 -0.58 -1.35 115.64 113.13 4pax s THR 954 Ca 0.07 -0.47 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 4pax s THR 954 Cb 0.08 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 72.03 4pax s THR 954 CO 0.61 0.15 0.55 0.00 -0.69 0.00 0.00 174.62 175.24 4pax s ALA 955 N -0.33 -1.41 0.70 7.40 0.00 -0.50 -4.07 121.76 123.55 4pax s ALA 955 Ca 0.02 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 4pax s ALA 955 Cb -0.04 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.63 4pax s ALA 955 CO -0.00 -0.59 1.19 -2.30 0.00 0.00 0.00 175.76 174.06 4pax n PRO 956 N 0.13 0.77 -1.98 0.00 -0.02 -1.26 -1.13 135.00 131.50 4pax n PRO 956 Ca -0.18 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 4pax n PRO 956 Cb 0.62 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 4pax n PRO 956 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 4pax s ASP 957 N -1.59 6.42 0.41 2.55 2.15 -0.04 -4.73 116.67 121.84 4pax s ASP 957 Ca 0.78 2.01 0.28 0.00 0.43 0.00 0.00 52.55 56.06 4pax s ASP 957 Cb -0.36 -2.53 1.51 0.00 -0.30 0.00 0.00 42.92 41.24 4pax s ASP 957 CO 0.45 -1.16 1.86 1.55 -0.17 0.00 0.00 175.17 177.69 4pax h PRO 958 N 10.62 0.00 -0.37 4.34 0.13 -1.91 -2.45 132.00 142.36 4pax h PRO 958 Ca -0.38 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 4pax h PRO 958 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 4pax h PRO 958 CO 0.97 0.00 -0.02 1.15 -0.23 0.00 0.00 178.00 179.87 4pax h THR 959 N 0.00 1.27 0.00 1.56 2.02 -2.00 -3.23 112.91 112.53 4pax h THR 959 Ca 0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.14 4pax h THR 959 Cb 0.02 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 4pax h THR 959 CO 0.00 0.35 0.00 0.00 0.37 0.00 0.00 175.52 176.24 4pax n ALA 960 N -2.41 2.60 -1.67 6.16 0.00 -0.92 -4.94 120.51 119.34 4pax n ALA 960 Ca -0.01 -0.18 -0.47 0.00 0.00 0.00 0.00 53.44 52.78 4pax n ALA 960 Cb 0.30 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 4pax n ALA 960 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 4pax n THR 961 N -1.11 0.12 -4.24 0.00 -1.04 -1.22 -4.44 114.28 102.35 4pax n THR 961 Ca 0.20 -0.02 -0.19 0.00 -2.04 0.00 0.00 64.05 62.00 4pax n THR 961 Cb 0.16 -1.55 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 4pax n THR 961 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 4pax n THR 962 N 3.71 0.00 -4.32 12.58 -1.04 -0.60 -4.94 114.28 119.67 4pax n THR 962 Ca 0.18 -1.46 -0.21 0.00 -2.04 0.00 0.00 64.05 60.52 4pax n THR 962 Cb 0.28 0.14 -0.13 0.00 -1.82 0.00 0.00 70.33 68.80 4pax n THR 962 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 4pax s THR 963 N -2.01 1.26 -0.25 12.58 2.01 -1.26 0.55 115.64 128.53 4pax s THR 963 Ca 0.06 -1.20 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 4pax s THR 963 Cb -0.00 -1.16 0.09 0.00 0.01 0.00 0.00 72.50 71.44 4pax s THR 963 CO 0.04 -0.06 0.16 -0.22 -0.69 0.00 0.00 174.62 173.85 4pax s LEU 964 N -1.45 0.27 -1.29 4.42 0.20 -0.38 -4.84 118.68 115.62 4pax s LEU 964 Ca 0.02 -0.87 -0.05 0.00 0.69 0.00 0.00 54.13 53.92 4pax s LEU 964 Cb -0.09 -0.08 0.01 0.00 -0.43 0.00 0.00 46.19 45.60 4pax s LEU 964 CO 0.02 -0.39 1.10 -0.67 -0.29 0.00 0.00 176.35 176.12 4pax n ASP 965 N 5.28 -4.37 -0.33 3.68 2.03 -1.26 -2.28 116.55 119.30 4pax n ASP 965 Ca -0.06 -0.58 -0.04 0.00 0.52 0.00 0.00 54.79 54.63 4pax n ASP 965 Cb 0.46 -5.07 -0.02 0.00 -0.72 0.00 0.00 41.12 35.76 4pax n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 4pax n GLY 966 N -1.61 0.67 3.39 0.27 0.00 -1.26 -5.01 105.19 101.64 4pax n GLY 966 Ca -0.13 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 4pax n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4pax s VAL 967 N -1.95 2.98 0.17 1.61 1.01 -0.97 -4.93 120.40 118.33 4pax s VAL 967 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 4pax s VAL 967 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 4pax s VAL 967 CO 0.00 0.54 1.28 -1.61 0.00 0.00 0.00 175.10 175.32 4pax s GLU 968 N 0.08 4.41 -0.29 2.72 2.02 -0.80 -1.24 118.70 125.59 4pax s GLU 968 Ca -0.06 1.99 0.03 0.00 0.02 0.00 0.00 54.97 56.95 4pax s GLU 968 Cb -0.15 -3.22 0.08 0.00 0.10 0.00 0.00 34.13 30.94 4pax s GLU 968 CO 0.05 -0.24 -0.03 0.08 0.02 0.00 0.00 175.26 175.14 4pax s VAL 969 N 0.27 2.02 -1.28 2.63 1.01 0.19 -0.98 120.40 124.26 4pax s VAL 969 Ca 0.57 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 4pax s VAL 969 Cb -0.35 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 4pax s VAL 969 CO 0.36 -0.29 2.49 -2.65 0.00 0.00 0.00 175.10 175.02 4pax n PRO 970 N 4.43 2.85 -0.08 2.72 -0.02 -1.26 -1.56 135.00 142.08 4pax n PRO 970 Ca -0.06 -1.94 0.02 0.00 -2.02 0.00 0.00 63.50 59.49 4pax n PRO 970 Cb 0.42 -2.73 0.05 0.00 -0.02 0.00 0.00 33.50 31.22 4pax n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 4pax n LEU 971 N 4.39 0.87 -4.73 2.45 -0.00 -1.26 -4.75 117.00 113.97 4pax n LEU 971 Ca 0.61 -0.44 -0.31 0.00 -0.00 0.00 0.00 56.01 55.87 4pax n LEU 971 Cb 0.22 -0.19 0.12 0.00 -0.00 0.00 0.00 43.42 43.57 4pax n LEU 971 CO 0.82 0.19 0.70 -0.83 -0.00 0.00 0.00 177.39 178.27 4pax s GLY 972 N -0.77 1.74 0.58 1.47 0.00 -1.26 -4.68 107.32 104.41 4pax s GLY 972 Ca 0.08 0.43 -0.17 0.00 0.00 0.00 0.00 44.72 45.06 4pax s GLY 972 CO 0.04 0.81 1.09 0.21 0.00 0.00 0.00 173.10 175.25 4pax s ASN 973 N -3.02 5.66 -0.55 1.64 3.84 -1.26 -3.89 114.94 117.35 4pax s ASN 973 Ca 0.64 1.99 -0.26 0.00 0.21 0.00 0.00 52.86 55.44 4pax s ASN 973 Cb -0.20 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 37.89 4pax s ASN 973 CO 0.55 -1.26 2.21 -0.83 -2.79 0.00 0.00 177.10 174.99 4pax s GLY 974 N -2.32 -0.23 0.11 1.21 0.00 -1.22 -0.86 107.32 104.02 4pax s GLY 974 Ca 0.68 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.15 4pax s GLY 974 CO 0.33 3.89 0.17 -0.42 0.00 0.00 0.00 173.10 177.07 4pax s ILE 975 N 11.20 4.89 -0.06 0.90 1.09 -0.29 -4.88 121.20 134.06 4pax s ILE 975 Ca 0.86 -0.75 -0.25 0.00 -1.10 0.00 0.00 60.65 59.41 4pax s ILE 975 Cb -0.15 -3.44 -0.03 0.00 -1.06 0.00 0.00 42.46 37.77 4pax s ILE 975 CO 0.23 0.01 0.76 -0.94 -0.10 0.00 0.00 174.94 174.91 4pax s SER 976 N -2.81 7.06 0.57 3.58 1.04 -1.26 -1.40 113.70 120.48 4pax s SER 976 Ca 0.32 1.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.89 4pax s SER 976 Cb -0.12 -2.45 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 4pax s SER 976 CO 0.25 -0.17 1.01 0.42 0.98 0.00 0.00 173.24 175.74 4pax s THR 977 N 0.94 4.62 -0.47 2.02 -4.23 -0.46 -4.95 115.64 113.11 4pax s THR 977 Ca 0.40 1.04 0.22 0.00 -1.18 0.00 0.00 61.69 62.17 4pax s THR 977 Cb -0.18 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 70.09 4pax s THR 977 CO 0.20 -0.93 1.67 0.61 -0.54 0.00 0.00 174.62 175.62 4pax n GLY 978 N -2.20 -1.16 3.69 3.99 0.00 -1.26 -4.74 105.19 103.52 4pax n GLY 978 Ca 0.06 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 4pax n GLY 978 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 4pax s ILE 979 N -3.34 4.45 -0.07 -0.61 2.07 -1.26 -4.92 121.20 117.52 4pax s ILE 979 Ca 0.03 1.76 0.07 0.00 -1.41 0.00 0.00 60.65 61.10 4pax s ILE 979 Cb 0.08 -4.13 -0.10 0.00 0.13 0.00 0.00 42.46 38.44 4pax s ILE 979 CO 0.34 0.04 0.05 -0.46 -1.91 0.00 0.00 174.94 172.99 4pax n ASN 980 N 4.81 3.04 -1.01 4.50 6.94 -1.26 -4.68 115.26 127.60 4pax n ASN 980 Ca 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.64 4pax n ASN 980 Cb 0.48 0.80 0.04 0.00 -2.36 0.00 0.00 39.78 38.73 4pax n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 4pax n ASP 981 N -2.22 2.60 -4.84 0.53 5.75 -1.26 -4.88 116.55 112.23 4pax n ASP 981 Ca -0.11 -2.20 -0.32 0.00 -0.01 0.00 0.00 54.79 52.15 4pax n ASP 981 Cb 0.68 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 4pax n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 4pax s THR 982 N -0.77 4.99 -0.17 2.12 -1.32 -1.26 -4.90 115.64 114.32 4pax s THR 982 Ca 0.08 -0.45 0.17 0.00 -1.21 0.00 0.00 61.69 60.29 4pax s THR 982 Cb 0.07 -3.36 -0.00 0.00 -1.51 0.00 0.00 72.50 67.70 4pax s THR 982 CO 0.02 0.24 1.17 0.00 -2.21 0.00 0.00 174.62 173.84 4pax s LEU 984 N -6.05 4.31 -0.01 0.00 1.43 -1.26 -4.99 118.68 112.12 4pax s LEU 984 Ca 0.01 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 4pax s LEU 984 Cb 0.08 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.51 4pax s LEU 984 CO 0.77 0.03 0.79 -0.07 0.23 0.00 0.00 176.35 178.10 4pax h LEU 985 N 3.33 0.16 -8.61 1.79 3.38 -1.91 -2.64 115.31 110.82 4pax h LEU 985 Ca -0.48 -0.27 -0.32 0.00 0.09 0.00 0.00 57.88 56.90 4pax h LEU 985 Cb 1.19 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 4pax h LEU 985 CO 0.65 1.23 -0.71 -0.31 0.09 0.00 0.00 178.44 179.39 4pax s TYR 986 N -2.62 1.21 0.60 1.13 2.02 -1.26 -1.53 117.35 116.91 4pax s TYR 986 Ca -0.07 -0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 55.71 4pax s TYR 986 Cb 0.08 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 4pax s TYR 986 CO 0.83 0.05 1.08 -0.80 -1.57 0.00 0.00 175.55 175.14 4pax s ASN 987 N -3.09 5.61 -0.01 2.29 0.01 -1.26 -4.02 114.94 114.47 4pax s ASN 987 Ca 0.15 1.90 0.01 0.00 -0.71 0.00 0.00 52.86 54.21 4pax s ASN 987 Cb 0.02 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.15 4pax s ASN 987 CO -0.00 -1.29 -0.03 -1.61 -1.51 0.00 0.00 177.10 172.67 4pax s GLU 988 N -3.99 0.33 -0.09 -0.60 2.02 -0.73 -4.48 118.70 111.17 4pax s GLU 988 Ca 0.65 -0.07 0.04 0.00 0.02 0.00 0.00 54.97 55.62 4pax s GLU 988 Cb -0.18 -0.38 -0.00 0.00 0.10 0.00 0.00 34.13 33.67 4pax s GLU 988 CO 0.37 0.00 -0.24 0.71 0.02 0.00 0.00 175.26 176.13 4pax s TYR 989 N 0.31 2.48 -0.08 1.61 1.51 -0.33 -0.50 117.35 122.35 4pax s TYR 989 Ca -0.03 -0.97 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 4pax s TYR 989 Cb -0.06 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 4pax s TYR 989 CO -0.01 -0.38 -0.10 0.42 -1.11 0.00 0.00 175.55 174.37 4pax s ILE 990 N 0.27 1.07 0.07 2.71 1.09 -0.73 -0.60 121.20 125.08 4pax s ILE 990 Ca -0.16 -0.40 0.05 0.00 -1.10 0.00 0.00 60.65 59.03 4pax s ILE 990 Cb -0.17 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.18 4pax s ILE 990 CO 0.08 0.35 -0.04 0.68 -0.10 0.00 0.00 174.94 175.91 4pax s VAL 991 N 0.98 3.79 -0.32 2.92 -7.23 -1.03 -0.74 120.40 118.77 4pax s VAL 991 Ca -0.09 -0.97 0.15 0.00 -1.81 0.00 0.00 61.98 59.26 4pax s VAL 991 Cb -0.15 -2.76 0.44 0.00 0.56 0.00 0.00 36.38 34.48 4pax s VAL 991 CO -0.00 0.20 1.35 -1.22 -0.31 0.00 0.00 175.10 175.12 4pax n TYR 992 N 0.89 0.73 -3.98 2.82 4.02 -1.26 -0.82 117.16 119.56 4pax n TYR 992 Ca -0.13 -0.80 -0.22 0.00 -0.01 0.00 0.00 57.90 56.75 4pax n TYR 992 Cb 0.52 -0.23 -0.17 0.00 -0.02 0.00 0.00 39.34 39.44 4pax n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 4pax s ASP 993 N -1.79 1.36 0.53 7.72 -1.08 -1.26 -4.98 116.67 117.16 4pax s ASP 993 Ca 0.36 -0.13 0.31 0.00 -0.52 0.00 0.00 52.55 52.57 4pax s ASP 993 Cb 0.28 -0.50 1.70 0.00 -1.46 0.00 0.00 42.92 42.95 4pax s ASP 993 CO 0.09 -0.12 1.95 1.62 0.52 0.00 0.00 175.17 179.24 4pax h VAL 994 N 6.22 0.00 -0.01 1.11 3.04 -1.92 -1.41 116.25 123.28 4pax h VAL 994 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 4pax h VAL 994 Cb 1.14 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 4pax h VAL 994 CO 0.38 0.00 -0.25 0.00 -1.01 0.00 0.00 177.57 176.68 4pax n ALA 995 N -1.89 3.07 1.77 3.17 0.00 -1.26 -4.01 120.51 121.36 4pax n ALA 995 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.05 4pax n ALA 995 Cb 0.16 -1.13 0.19 0.00 0.00 0.00 0.00 19.45 18.67 4pax n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 4pax n GLN 996 N -0.62 1.18 -4.17 0.00 6.02 -0.53 -4.37 117.38 114.89 4pax n GLN 996 Ca 0.12 -0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 56.68 4pax n GLN 996 Cb 0.35 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.33 4pax n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 4pax s VAL 997 N -1.91 0.56 -0.21 5.09 0.11 -1.26 -1.23 120.40 121.56 4pax s VAL 997 Ca 0.13 -0.62 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 4pax s VAL 997 Cb 0.06 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.44 4pax s VAL 997 CO 0.10 -0.06 0.06 0.21 -3.33 0.00 0.00 175.10 172.08 4pax s ASN 998 N -0.74 2.92 0.29 3.54 3.04 -0.52 -4.85 114.94 118.61 4pax s ASN 998 Ca -0.02 -0.88 -0.29 0.00 0.04 0.00 0.00 52.86 51.71 4pax s ASN 998 Cb -0.06 -0.52 -0.10 0.00 -1.54 0.00 0.00 41.25 39.04 4pax s ASN 998 CO 0.00 -0.34 1.36 -0.76 -3.04 0.00 0.00 177.10 174.32 4pax s LEU 999 N 1.92 4.41 -0.01 3.21 1.43 -1.26 -0.66 118.68 127.72 4pax s LEU 999 Ca 0.01 2.66 -0.03 0.00 -1.03 0.00 0.00 54.13 55.74 4pax s LEU 999 Cb -0.17 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 4pax s LEU 999 CO -0.12 -0.60 -0.07 0.29 0.23 0.00 0.00 176.35 176.08 4pax n LYS 1000N 1.54 0.12 -4.29 1.70 4.76 -0.24 -4.71 118.16 117.03 4pax n LYS 1000Ca 0.03 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 4pax n LYS 1000Cb 0.41 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.79 4pax n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 4pax s TYR 1001N -2.15 1.65 -0.11 2.13 1.51 -0.85 -1.29 117.35 118.25 4pax s TYR 1001Ca -0.07 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 4pax s TYR 1001Cb 0.02 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 4pax s TYR 1001CO 0.10 0.25 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.51 4pax s LEU 1002N -2.56 1.44 -0.02 -1.29 0.20 0.23 -0.71 118.68 115.97 4pax s LEU 1002Ca 0.13 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.62 4pax s LEU 1002Cb -0.05 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.76 4pax s LEU 1002CO 0.05 -0.06 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.27 4pax s LEU 1003N 1.33 3.38 -0.34 -0.68 1.02 0.74 -0.27 118.68 123.86 4pax s LEU 1003Ca -0.01 -0.03 -0.12 0.00 0.02 0.00 0.00 54.13 53.99 4pax s LEU 1003Cb -0.14 -1.90 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 4pax s LEU 1003CO -0.05 0.30 0.21 -0.75 0.02 0.00 0.00 176.35 176.09 4pax s LYS 1004N -1.35 3.32 0.02 1.70 2.20 0.10 -1.69 119.74 124.04 4pax s LYS 1004Ca 0.17 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 4pax s LYS 1004Cb -0.11 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 4pax s LYS 1004CO 0.07 -0.49 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.03 4pax s LEU 1005N 1.67 3.35 -0.28 5.43 1.43 0.44 -0.28 118.68 130.44 4pax s LEU 1005Ca 0.05 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 4pax s LEU 1005Cb -0.18 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.12 4pax s LEU 1005CO 0.09 0.26 -0.03 -0.75 0.23 0.00 0.00 176.35 176.14 4pax s LYS 1006N -1.68 2.58 -0.53 1.70 2.47 0.47 -0.52 119.74 124.23 4pax s LYS 1006Ca 0.20 -1.16 -0.26 0.00 -1.56 0.00 0.00 55.97 53.19 4pax s LYS 1006Cb -0.11 -3.09 0.03 0.00 -1.46 0.00 0.00 37.83 33.20 4pax s LYS 1006CO 0.11 -0.53 1.02 -0.06 0.16 0.00 0.00 175.35 176.04 4pax s PHE 1007N 1.27 2.78 -0.50 4.03 0.40 -0.37 -1.01 117.98 124.57 4pax s PHE 1007Ca -0.03 0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.36 4pax s PHE 1007Cb -0.19 -4.19 0.05 0.00 0.51 0.00 0.00 43.02 39.21 4pax s PHE 1007CO -0.03 -1.34 0.68 1.21 0.70 0.00 0.00 175.22 176.45 4pax s ASN 1008N 2.68 6.26 0.16 1.36 2.47 -0.97 -4.81 114.94 122.08 4pax s ASN 1008Ca 0.37 -0.72 -0.30 0.00 0.42 0.00 0.00 52.86 52.62 4pax s ASN 1008Cb -0.10 -2.32 -0.07 0.00 -1.45 0.00 0.00 41.25 37.31 4pax s ASN 1008CO 0.24 -0.93 0.98 -0.31 -3.72 0.00 0.00 177.10 173.36 4pax s TYR 1009N 2.89 3.82 -0.22 0.43 1.51 -1.26 -0.71 117.35 123.81 4pax s TYR 1009Ca 0.19 1.79 -0.29 0.00 -1.01 0.00 0.00 57.07 57.75 4pax s TYR 1009Cb -0.17 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.58 4pax s TYR 1009CO 0.14 0.12 1.48 0.15 -1.11 0.00 0.00 175.55 176.33 4pax s LYS 1010N -0.39 3.93 0.00 -0.62 1.02 -1.20 -4.98 119.74 117.50 4pax s LYS 1010Ca 0.46 1.60 0.00 0.00 0.02 0.00 0.00 55.97 58.04 4pax s LYS 1010Cb -0.25 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 4pax s LYS 1010CO 0.31 -1.12 0.38 0.25 -0.92 0.00 0.00 175.35 174.25