#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pax s SER 663 N 0.00 6.80 0.24 4.39 0.15 -1.26 -4.53 113.70 119.48 3pax s SER 663 Ca 0.00 2.50 0.23 0.00 0.70 0.00 0.00 55.95 59.38 3pax s SER 663 Cb 0.00 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 3pax s SER 663 CO 0.00 -0.60 1.17 0.11 1.20 0.00 0.00 173.24 175.12 3pax h LYS 664 N 5.30 0.00 -7.20 5.44 1.57 -2.00 -3.47 116.57 116.21 3pax h LYS 664 Ca -0.45 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.81 3pax h LYS 664 Cb 1.22 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.66 3pax h LYS 664 CO 0.78 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 179.52 3pax s LEU 665 N -5.40 3.29 0.69 2.94 1.02 -1.26 -5.00 118.68 114.96 3pax s LEU 665 Ca 0.01 2.17 -0.14 0.00 0.02 0.00 0.00 54.13 56.19 3pax s LEU 665 Cb 0.09 -4.57 0.02 0.00 0.02 0.00 0.00 46.19 41.75 3pax s LEU 665 CO 0.76 -2.06 1.11 0.00 0.02 0.00 0.00 176.35 176.19 3pax s ALA 666 N -2.23 2.39 0.14 4.21 0.00 -1.26 -4.81 121.76 120.20 3pax s ALA 666 Ca 0.70 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 3pax s ALA 666 Cb -0.24 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3pax s ALA 666 CO 0.45 -1.43 1.68 -0.22 0.00 0.00 0.00 175.76 176.24 3pax h LYS 667 N -0.25 -0.09 -0.98 0.00 3.64 -1.98 -1.84 116.57 115.07 3pax h LYS 667 Ca -0.46 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.13 3pax h LYS 667 Cb 1.25 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 3pax h LYS 667 CO 0.53 -0.06 0.57 -1.35 -2.27 0.00 0.00 179.45 176.87 3pax h PRO 668 N -0.10 0.65 -0.26 1.90 0.11 -1.99 0.12 132.00 132.43 3pax h PRO 668 Ca 0.11 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.02 3pax h PRO 668 Cb 0.26 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3pax h PRO 668 CO -0.26 0.43 -0.49 0.82 -0.21 0.00 0.00 178.00 178.28 3pax h ILE 669 N 0.67 1.29 -0.01 4.15 2.04 -1.83 -1.30 117.51 122.52 3pax h ILE 669 Ca 0.59 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3pax h ILE 669 Cb 0.98 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3pax h ILE 669 CO -0.42 0.54 0.01 1.56 0.00 0.00 0.00 178.15 179.84 3pax h GLN 670 N 0.57 0.02 -0.18 2.37 4.20 -0.20 -0.95 115.11 120.94 3pax h GLN 670 Ca 0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3pax h GLN 670 Cb 1.06 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 3pax h GLN 670 CO 0.10 0.14 0.08 -0.44 -0.67 0.00 0.00 178.83 178.04 3pax h ASP 671 N -0.10 0.21 -0.16 1.46 3.32 -0.77 -1.92 116.42 118.46 3pax h ASP 671 Ca 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3pax h ASP 671 Cb 0.13 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3pax h ASP 671 CO -0.00 0.19 -0.14 0.25 -1.72 0.00 0.00 179.24 177.82 3pax h LEU 672 N 0.24 0.40 -0.61 1.55 5.85 -0.87 -2.54 115.31 119.33 3pax h LEU 672 Ca 0.06 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3pax h LEU 672 Cb 0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3pax h LEU 672 CO -0.01 0.78 0.30 0.40 -0.34 0.00 0.00 178.44 179.57 3pax h ILE 673 N 0.02 1.21 -0.79 4.05 1.08 -0.73 -1.17 117.51 121.18 3pax h ILE 673 Ca 0.03 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 3pax h ILE 673 Cb 0.66 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 3pax h ILE 673 CO 0.04 0.24 0.51 0.11 -0.69 0.00 0.00 178.15 178.36 3pax h LYS 674 N 0.84 1.05 -0.42 2.37 1.57 -1.41 -1.92 116.57 118.64 3pax h LYS 674 Ca 0.21 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3pax h LYS 674 Cb 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3pax h LYS 674 CO -0.03 0.70 0.03 1.98 -0.57 0.00 0.00 179.45 181.57 3pax h MET 675 N 1.07 0.72 0.00 3.15 4.05 -1.04 -2.36 114.93 120.52 3pax h MET 675 Ca 0.29 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3pax h MET 675 Cb -0.10 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3pax h MET 675 CO -0.06 0.78 0.00 -0.84 0.23 0.00 0.00 176.91 177.02 3pax h ILE 676 N 0.57 0.00 -0.55 1.77 3.07 -1.05 -3.11 117.51 118.22 3pax h ILE 676 Ca 0.12 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.80 3pax h ILE 676 Cb 0.43 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3pax h ILE 676 CO 0.02 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.61 3pax n PHE 677 N -2.93 1.05 -2.06 0.16 3.72 -0.74 -4.59 117.46 112.07 3pax n PHE 677 Ca 0.03 -0.59 -0.43 0.00 -0.05 0.00 0.00 57.45 56.42 3pax n PHE 677 Cb 0.43 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 3pax n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3pax s ASP 678 N -1.07 6.45 0.29 4.37 2.15 -0.90 -4.90 116.67 123.06 3pax s ASP 678 Ca 0.42 1.86 0.01 0.00 0.43 0.00 0.00 52.55 55.28 3pax s ASP 678 Cb 0.26 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.78 3pax s ASP 678 CO 0.22 -1.16 1.77 0.58 -0.17 0.00 0.00 175.17 176.42 3pax h VAL 679 N 5.97 1.24 -0.31 1.11 2.07 -1.93 -2.80 116.25 121.60 3pax h VAL 679 Ca -0.36 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 3pax h VAL 679 Cb 1.17 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3pax h VAL 679 CO 0.98 0.35 -0.04 -0.08 0.02 0.00 0.00 177.57 178.81 3pax h GLU 680 N 0.55 0.49 -0.44 1.57 4.81 -2.00 -1.52 114.58 118.04 3pax h GLU 680 Ca 0.10 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3pax h GLU 680 Cb 0.52 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3pax h GLU 680 CO 0.03 0.55 -0.23 0.77 -0.73 0.00 0.00 179.01 179.40 3pax h SER 681 N 0.46 0.91 -0.48 1.04 0.02 -1.90 -1.11 113.55 112.50 3pax h SER 681 Ca 0.10 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3pax h SER 681 Cb 0.37 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3pax h SER 681 CO 0.02 1.10 0.30 0.24 -1.14 0.00 0.00 176.83 177.34 3pax h MET 682 N 0.77 0.58 -0.41 3.45 2.86 -1.16 -1.30 114.93 119.71 3pax h MET 682 Ca 0.10 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3pax h MET 682 Cb 0.78 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3pax h MET 682 CO 0.06 0.38 0.05 0.87 1.06 0.00 0.00 176.91 179.33 3pax h LYS 683 N 0.60 0.70 -0.47 1.72 1.57 -1.29 -2.35 116.57 117.04 3pax h LYS 683 Ca 0.19 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3pax h LYS 683 Cb -0.01 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3pax h LYS 683 CO -0.07 0.75 0.16 -0.22 -0.57 0.00 0.00 179.45 179.50 3pax h LYS 684 N 0.54 0.33 -0.27 3.15 3.64 -0.92 0.14 116.57 123.18 3pax h LYS 684 Ca 0.12 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3pax h LYS 684 Cb 0.41 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3pax h LYS 684 CO 0.01 0.22 -0.05 0.00 -2.27 0.00 0.00 179.45 177.35 3pax h ALA 685 N 1.31 0.19 -0.42 5.00 0.00 -1.04 -0.46 119.26 123.85 3pax h ALA 685 Ca 0.22 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3pax h ALA 685 Cb 0.23 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3pax h ALA 685 CO -0.23 -0.46 0.05 0.52 0.00 0.00 0.00 179.25 179.13 3pax h MET 686 N 0.01 0.65 -0.28 0.00 2.86 -0.87 -1.82 114.93 115.48 3pax h MET 686 Ca 0.13 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3pax h MET 686 Cb 0.19 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3pax h MET 686 CO -0.27 0.63 -0.29 0.28 1.06 0.00 0.00 176.91 178.33 3pax h VAL 687 N 0.62 1.28 -0.03 -2.22 2.07 0.03 -0.38 116.25 117.61 3pax h VAL 687 Ca 0.13 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 3pax h VAL 687 Cb 0.32 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3pax h VAL 687 CO 0.01 0.44 -0.43 -0.33 0.02 0.00 0.00 177.57 177.28 3pax h GLU 688 N 0.50 0.07 -0.01 1.57 5.08 -0.43 -1.06 114.58 120.31 3pax h GLU 688 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3pax h GLU 688 Cb 0.75 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3pax h GLU 688 CO 0.06 0.49 0.00 1.19 -1.00 0.00 0.00 179.01 179.75 3pax n PHE 689 N -4.02 0.01 -1.67 4.33 3.72 -0.75 -4.89 117.46 114.20 3pax n PHE 689 Ca -0.02 -0.01 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 3pax n PHE 689 Cb 0.47 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 3pax n PHE 689 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3pax n GLU 690 N -0.75 -0.78 -2.22 -1.08 1.02 -0.40 -5.01 120.64 111.41 3pax n GLU 690 Ca 0.19 0.73 -0.34 0.00 -0.02 0.00 0.00 57.16 57.73 3pax n GLU 690 Cb 0.12 -4.74 -0.00 0.00 -0.02 0.00 0.00 31.44 26.80 3pax n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3pax s ILE 691 N -2.45 3.53 -0.62 -3.67 1.09 -0.18 -1.28 121.20 117.62 3pax s ILE 691 Ca 0.00 0.86 -0.22 0.00 -1.10 0.00 0.00 60.65 60.19 3pax s ILE 691 Cb 0.00 -3.33 0.07 0.00 -1.06 0.00 0.00 42.46 38.14 3pax s ILE 691 CO 0.00 -0.30 0.87 -0.62 -0.10 0.00 0.00 174.94 174.79 3pax s ASP 692 N -2.21 6.20 0.49 3.58 -1.08 0.42 -4.40 116.67 119.67 3pax s ASP 692 Ca 0.68 -1.03 0.32 0.00 -0.52 0.00 0.00 52.55 52.01 3pax s ASP 692 Cb -0.19 -2.38 1.42 0.00 -1.46 0.00 0.00 42.92 40.30 3pax s ASP 692 CO 0.29 -1.30 1.96 -0.07 0.52 0.00 0.00 175.17 176.58 3pax h LEU 693 N 10.84 0.00 -0.00 -1.34 3.38 -1.88 0.82 115.31 127.13 3pax h LEU 693 Ca -0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3pax h LEU 693 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3pax h LEU 693 CO 1.13 0.00 -0.07 1.56 0.09 0.00 0.00 178.44 181.16 3pax h GLN 694 N 0.00 0.05 0.00 1.13 1.08 -1.98 -3.14 115.11 112.26 3pax h GLN 694 Ca 0.00 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 56.95 3pax h GLN 694 Cb 0.39 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 3pax h GLN 694 CO 0.00 0.79 -1.02 0.87 -0.95 0.00 0.00 178.83 178.52 3pax h LYS 695 N -0.67 0.00 -2.94 1.46 1.79 -1.91 -3.40 116.57 110.90 3pax h LYS 695 Ca -0.01 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.85 3pax h LYS 695 Cb 0.82 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.06 3pax h LYS 695 CO 0.01 0.84 -0.69 -1.64 -1.08 0.00 0.00 179.45 176.89 3pax s MET 696 N -2.74 1.87 0.72 3.15 -1.94 0.28 -4.97 119.30 115.67 3pax s MET 696 Ca 0.01 -2.78 -0.11 0.00 -1.71 0.00 0.00 55.69 51.10 3pax s MET 696 Cb 0.09 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 34.17 3pax s MET 696 CO 0.81 -1.27 1.09 -1.25 -0.01 0.00 0.00 175.02 174.39 3pax s PRO 697 N -0.70 2.75 0.33 2.03 0.04 -1.19 -4.13 135.00 134.13 3pax s PRO 697 Ca 0.25 0.58 0.09 0.00 0.04 0.00 0.00 61.00 61.96 3pax s PRO 697 Cb -0.08 -2.00 0.85 0.00 0.04 0.00 0.00 34.50 33.31 3pax s PRO 697 CO -0.13 -1.14 1.78 -0.07 0.04 0.00 0.00 177.00 177.48 3pax h LEU 698 N -0.74 0.69 0.00 -3.56 3.38 -1.98 -0.47 115.31 112.63 3pax h LEU 698 Ca -0.45 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3pax h LEU 698 Cb 1.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3pax h LEU 698 CO 0.62 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.98 3pax n GLY 699 N -1.37 -1.04 0.13 0.83 0.00 -1.26 -3.00 105.19 99.49 3pax n GLY 699 Ca 0.24 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3pax n GLY 699 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3pax h LYS 700 N 0.00 0.00 -6.45 1.61 3.64 -1.44 -3.47 116.57 110.47 3pax h LYS 700 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3pax h LYS 700 Cb 0.27 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3pax h LYS 700 CO 0.00 0.01 1.16 1.28 -2.27 0.00 0.00 179.45 179.63 3pax n LEU 701 N -2.75 4.07 -4.14 5.20 4.77 -1.16 -5.01 117.00 117.98 3pax n LEU 701 Ca 0.00 0.96 -0.14 0.00 -0.03 0.00 0.00 56.01 56.79 3pax n LEU 701 Cb 0.56 -1.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.00 3pax n LEU 701 CO 0.39 0.18 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.27 3pax s SER 702 N 3.39 1.30 0.17 -1.43 1.04 -1.26 -5.00 113.70 111.91 3pax s SER 702 Ca 0.85 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 3pax s SER 702 Cb -0.47 0.01 0.05 0.00 0.10 0.00 0.00 66.02 65.71 3pax s SER 702 CO 0.39 -0.23 1.83 0.11 0.98 0.00 0.00 173.24 176.33 3pax h LYS 703 N 3.92 0.65 -0.77 4.02 1.57 -1.98 -2.20 116.57 121.77 3pax h LYS 703 Ca -0.37 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3pax h LYS 703 Cb 1.19 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 3pax h LYS 703 CO 0.48 0.43 0.45 0.00 -0.57 0.00 0.00 179.45 180.24 3pax h ARG 704 N 0.66 0.78 -0.32 3.15 -0.00 -1.99 -0.18 114.38 116.48 3pax h ARG 704 Ca 0.18 -0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.62 3pax h ARG 704 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.70 3pax h ARG 704 CO -0.04 0.52 0.18 0.37 0.00 0.00 0.00 179.97 181.00 3pax h GLN 705 N 0.81 0.37 -0.55 0.04 4.15 -1.90 -1.94 115.11 116.08 3pax h GLN 705 Ca 0.35 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.66 3pax h GLN 705 Cb 0.23 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3pax h GLN 705 CO -0.20 0.24 -0.00 0.82 -1.93 0.00 0.00 178.83 177.76 3pax h ILE 706 N 0.38 1.26 -0.03 2.39 2.04 -0.71 -2.43 117.51 120.42 3pax h ILE 706 Ca 0.12 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3pax h ILE 706 Cb 0.00 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3pax h ILE 706 CO -0.06 0.40 0.02 1.56 0.00 0.00 0.00 178.15 180.06 3pax h GLN 707 N 0.88 0.03 -0.78 2.37 4.20 -0.82 -1.62 115.11 119.37 3pax h GLN 707 Ca 0.16 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.96 3pax h GLN 707 Cb 0.52 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 3pax h GLN 707 CO 0.03 0.07 0.42 0.77 -0.67 0.00 0.00 178.83 179.45 3pax h SER 708 N -0.01 0.59 -0.93 1.46 0.02 -1.27 -1.52 113.55 111.89 3pax h SER 708 Ca 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3pax h SER 708 Cb 0.05 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3pax h SER 708 CO -0.00 0.34 0.53 0.00 -1.14 0.00 0.00 176.83 176.56 3pax h ALA 709 N 1.44 1.18 -0.50 3.77 0.00 -1.00 -1.74 119.26 122.41 3pax h ALA 709 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3pax h ALA 709 Cb 0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3pax h ALA 709 CO -0.26 0.67 0.28 1.88 0.00 0.00 0.00 179.25 181.82 3pax h TYR 710 N 1.29 0.69 -0.99 0.00 0.05 -0.33 -1.21 116.97 116.47 3pax h TYR 710 Ca 0.33 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.10 3pax h TYR 710 Cb -0.01 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.46 3pax h TYR 710 CO 0.01 0.51 0.65 0.77 -1.05 0.00 0.00 178.16 179.05 3pax h SER 711 N 0.67 1.13 -0.42 3.88 0.02 -0.91 0.23 113.55 118.14 3pax h SER 711 Ca 0.18 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3pax h SER 711 Cb 0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3pax h SER 711 CO -0.03 0.82 0.08 0.40 -1.14 0.00 0.00 176.83 176.96 3pax h ILE 712 N 1.33 1.24 -0.43 3.27 2.04 -1.06 -0.20 117.51 123.70 3pax h ILE 712 Ca 0.36 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3pax h ILE 712 Cb -0.15 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3pax h ILE 712 CO -0.08 0.29 0.05 -0.07 0.00 0.00 0.00 178.15 178.35 3pax h LEU 713 N 0.55 0.62 -0.12 1.44 3.38 -0.47 -0.26 115.31 120.45 3pax h LEU 713 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3pax h LEU 713 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3pax h LEU 713 CO 0.01 0.66 0.02 -1.13 0.09 0.00 0.00 178.44 178.08 3pax h ASN 714 N 0.64 0.20 -0.47 -0.43 -1.24 -0.24 -1.42 115.58 112.61 3pax h ASN 714 Ca 0.14 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.86 3pax h ASN 714 Cb 0.32 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3pax h ASN 714 CO 0.01 0.42 0.22 -0.33 -1.29 0.00 0.00 177.43 176.45 3pax h GLU 715 N -0.03 0.69 -0.59 6.67 5.08 -0.61 -1.79 114.58 123.99 3pax h GLU 715 Ca 0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3pax h GLU 715 Cb 0.31 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3pax h GLU 715 CO 0.00 0.59 0.18 -0.24 -1.00 0.00 0.00 179.01 178.54 3pax h VAL 716 N 0.62 1.23 -0.55 3.13 3.04 -1.00 -1.05 116.25 121.67 3pax h VAL 716 Ca 0.16 -0.79 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3pax h VAL 716 Cb 0.14 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 3pax h VAL 716 CO -0.02 0.30 0.34 -0.61 -1.01 0.00 0.00 177.57 176.57 3pax h GLN 717 N 0.87 0.74 -0.49 4.17 -0.00 -1.06 -1.00 115.11 118.34 3pax h GLN 717 Ca 0.19 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 3pax h GLN 717 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 3pax h GLN 717 CO -0.01 0.53 0.14 1.96 0.00 0.00 0.00 178.83 181.45 3pax h GLN 718 N 0.74 0.78 -0.06 1.69 1.08 -0.75 -2.25 115.11 116.34 3pax h GLN 718 Ca 0.20 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 3pax h GLN 718 Cb -0.03 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3pax h GLN 718 CO -0.04 0.75 -0.28 0.00 -0.95 0.00 0.00 178.83 178.31 3pax h ALA 719 N 1.00 1.42 -0.04 3.87 0.00 -0.81 -0.91 119.26 123.79 3pax h ALA 719 Ca 0.16 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3pax h ALA 719 Cb 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3pax h ALA 719 CO -0.00 0.42 -0.49 0.28 0.00 0.00 0.00 179.25 179.45 3pax h VAL 720 N 0.10 1.42 0.12 0.00 2.07 -1.03 1.09 116.25 120.02 3pax h VAL 720 Ca 0.01 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 3pax h VAL 720 Cb 0.56 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3pax h VAL 720 CO 0.04 0.57 -0.06 0.28 0.02 0.00 0.00 177.57 178.42 3pax h SER 721 N -0.10 -0.14 -0.09 0.57 0.02 -1.29 -3.15 113.55 109.37 3pax h SER 721 Ca -0.05 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3pax h SER 721 Cb 1.18 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3pax h SER 721 CO 0.10 0.03 0.00 0.47 -1.14 0.00 0.00 176.83 176.29 3pax n ASP 722 N -5.10 0.69 -2.67 3.07 9.92 -0.36 -4.94 116.55 117.18 3pax n ASP 722 Ca -0.08 -1.71 -0.11 0.00 -0.53 0.00 0.00 54.79 52.36 3pax n ASP 722 Cb 0.14 -0.06 0.06 0.00 -0.64 0.00 0.00 41.12 40.62 3pax n ASP 722 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pax n GLY 723 N 0.85 -0.21 3.77 0.44 0.00 -1.00 -5.03 105.19 104.01 3pax n GLY 723 Ca 0.11 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3pax n GLY 723 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pax s GLY 724 N -3.75 1.58 0.53 -0.02 0.00 0.37 -4.98 107.32 101.04 3pax s GLY 724 Ca 0.08 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 3pax s GLY 724 CO 0.50 0.04 1.15 1.44 0.00 0.00 0.00 173.10 176.23 3pax n SER 725 N -3.86 1.76 0.22 1.64 7.64 -1.26 -4.87 113.62 114.89 3pax n SER 725 Ca 0.07 0.95 0.07 0.00 1.01 0.00 0.00 58.87 60.97 3pax n SER 725 Cb 0.59 -1.46 0.49 0.00 -1.01 0.00 0.00 64.21 62.82 3pax n SER 725 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3pax h GLU 726 N 1.22 0.00 -0.21 1.43 3.07 -1.97 -1.80 114.58 116.32 3pax h GLU 726 Ca -0.48 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.30 3pax h GLU 726 Cb 1.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 3pax h GLU 726 CO 0.55 0.27 -0.21 0.66 -1.40 0.00 0.00 179.01 178.87 3pax h SER 727 N 0.00 0.37 0.03 1.42 4.64 -1.99 -0.83 113.55 117.19 3pax h SER 727 Ca -0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3pax h SER 727 Cb 0.57 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3pax h SER 727 CO 0.03 0.59 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.96 3pax h GLN 728 N 0.34 -0.04 -0.48 4.77 5.75 -1.69 -1.98 115.11 121.78 3pax h GLN 728 Ca 0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3pax h GLN 728 Cb 0.57 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 3pax h GLN 728 CO 0.04 0.31 0.24 0.82 -2.65 0.00 0.00 178.83 177.59 3pax h ILE 729 N -0.40 1.16 -0.23 2.39 2.04 -1.21 -0.03 117.51 121.23 3pax h ILE 729 Ca -0.00 -0.44 -0.19 0.00 1.00 0.00 0.00 64.86 65.23 3pax h ILE 729 Cb 0.37 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3pax h ILE 729 CO 0.01 0.18 -0.60 0.25 0.00 0.00 0.00 178.15 177.99 3pax h LEU 730 N 0.66 0.88 -0.43 1.44 5.85 -1.12 -1.59 115.31 121.00 3pax h LEU 730 Ca 0.17 -0.49 -0.15 0.00 0.84 0.00 0.00 57.88 58.24 3pax h LEU 730 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3pax h LEU 730 CO -0.02 1.27 -0.36 -0.78 -0.34 0.00 0.00 178.44 178.21 3pax h ASP 731 N 0.58 0.99 -0.68 1.25 3.58 -0.67 -1.56 116.42 119.90 3pax h ASP 731 Ca -0.00 -0.44 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 3pax h ASP 731 Cb 1.20 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.94 3pax h ASP 731 CO 0.13 1.23 0.25 -0.07 -2.88 0.00 0.00 179.24 177.90 3pax h LEU 732 N 0.77 0.97 -0.27 2.28 3.38 -1.00 -1.20 115.31 120.24 3pax h LEU 732 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3pax h LEU 732 Cb 0.95 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3pax h LEU 732 CO 0.09 0.90 0.15 0.28 0.09 0.00 0.00 178.44 179.94 3pax h SER 733 N 0.98 0.34 -0.81 -0.43 0.02 -1.10 -0.95 113.55 111.60 3pax h SER 733 Ca 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3pax h SER 733 Cb 0.25 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3pax h SER 733 CO -0.01 0.33 0.53 0.78 -1.14 0.00 0.00 176.83 177.31 3pax h ASN 734 N 0.32 0.95 -0.30 3.07 2.35 -1.04 -0.58 115.58 120.35 3pax h ASN 734 Ca 0.10 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3pax h ASN 734 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3pax h ASN 734 CO -0.02 0.70 -0.20 0.03 -1.65 0.00 0.00 177.43 176.30 3pax h ARG 735 N 1.11 0.77 -0.16 0.81 3.08 -0.97 -1.93 114.38 117.09 3pax h ARG 735 Ca 0.30 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3pax h ARG 735 Cb -0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3pax h ARG 735 CO -0.06 0.90 0.05 0.35 -1.07 0.00 0.00 179.97 180.14 3pax h PHE 736 N 0.68 0.25 0.00 3.04 3.57 -0.55 -1.01 116.94 122.92 3pax h PHE 736 Ca 0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3pax h PHE 736 Cb 0.70 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3pax h PHE 736 CO 0.04 0.36 0.00 1.88 -2.23 0.00 0.00 178.31 178.36 3pax h TYR 737 N 0.07 0.00 0.06 0.41 0.05 -1.08 0.30 116.97 116.78 3pax h TYR 737 Ca 0.05 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.54 3pax h TYR 737 Cb 0.23 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3pax h TYR 737 CO 0.00 0.00 -1.53 1.15 -1.05 0.00 0.00 178.16 176.74 3pax h THR 738 N 0.00 1.12 -0.07 -2.88 2.02 -1.12 -3.15 112.91 108.83 3pax h THR 738 Ca 0.00 -2.84 -0.14 0.00 0.77 0.00 0.00 66.41 64.20 3pax h THR 738 Cb 0.45 2.65 0.01 0.00 -1.74 0.00 0.00 68.15 69.52 3pax h THR 738 CO 0.00 0.75 -0.49 0.25 0.37 0.00 0.00 175.52 176.40 3pax h LEU 739 N 0.04 0.56 -7.44 2.58 5.85 -0.85 -3.39 115.31 112.65 3pax h LEU 739 Ca -0.23 -0.67 -0.64 0.00 0.84 0.00 0.00 57.88 57.18 3pax h LEU 739 Cb 1.97 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 42.43 3pax h LEU 739 CO 0.12 1.14 -0.70 -0.63 -0.34 0.00 0.00 178.44 178.04 3pax s ILE 740 N -3.56 2.08 0.22 4.05 -1.09 0.07 -5.09 121.20 117.88 3pax s ILE 740 Ca -0.13 -2.54 -0.32 0.00 -2.23 0.00 0.00 60.65 55.43 3pax s ILE 740 Cb 0.05 -2.50 -0.12 0.00 -1.58 0.00 0.00 42.46 38.31 3pax s ILE 740 CO 0.82 -0.71 1.71 -2.84 -1.23 0.00 0.00 174.94 172.69 3pax s PRO 741 N 0.57 4.12 0.20 2.79 0.02 -1.19 -4.36 135.00 137.15 3pax s PRO 741 Ca 0.13 2.61 0.10 0.00 0.02 0.00 0.00 61.00 63.86 3pax s PRO 741 Cb -0.22 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3pax s PRO 741 CO -0.07 -0.74 -0.12 -1.01 -0.33 0.00 0.00 177.00 174.73 3pax s HIS 742 N 1.00 2.56 -0.28 6.54 3.76 -1.26 -0.44 115.29 127.16 3pax s HIS 742 Ca 0.73 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.40 3pax s HIS 742 Cb -0.50 -1.23 0.08 0.00 1.11 0.00 0.00 32.58 32.04 3pax s HIS 742 CO 0.34 0.53 0.02 0.34 -0.85 0.00 0.00 174.74 175.13 3pax s ASP 743 N -2.93 4.12 -0.11 1.40 -1.08 -0.41 -4.58 116.67 113.09 3pax s ASP 743 Ca 0.25 -1.55 0.19 0.00 -0.52 0.00 0.00 52.55 50.92 3pax s ASP 743 Cb -0.08 -1.20 0.73 0.00 -1.46 0.00 0.00 42.92 40.91 3pax s ASP 743 CO 0.15 -0.32 1.64 0.49 0.52 0.00 0.00 175.17 177.64 3pax n PHE 744 N 4.62 1.49 -0.59 -5.34 3.72 -1.26 -4.82 117.46 115.27 3pax n PHE 744 Ca -0.05 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 3pax n PHE 744 Cb 0.43 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3pax n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3pax n GLY 745 N 1.22 3.40 0.39 1.37 0.00 -1.26 -1.98 105.19 108.33 3pax n GLY 745 Ca 0.26 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3pax n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3pax n MET 746 N 13.91 1.50 -4.00 1.61 2.81 -1.26 -4.89 117.12 126.80 3pax n MET 746 Ca 0.00 -0.76 -0.23 0.00 -1.81 0.00 0.00 57.70 54.89 3pax n MET 746 Cb 0.00 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 3pax n MET 746 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3pax s LYS 747 N -1.81 3.28 0.33 0.03 -2.85 -0.84 -5.08 119.74 112.79 3pax s LYS 747 Ca 0.26 -0.79 -0.27 0.00 -1.00 0.00 0.00 55.97 54.17 3pax s LYS 747 Cb 0.14 -2.82 -0.09 0.00 -2.06 0.00 0.00 37.83 33.00 3pax s LYS 747 CO 0.21 0.45 1.09 0.15 0.10 0.00 0.00 175.35 177.36 3pax s LYS 748 N -3.66 4.44 0.03 1.78 -0.14 -1.26 -4.77 119.74 116.16 3pax s LYS 748 Ca 0.34 1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 56.37 3pax s LYS 748 Cb -0.09 -2.95 -0.07 0.00 -1.68 0.00 0.00 37.83 33.04 3pax s LYS 748 CO 0.27 0.05 1.59 -1.25 -0.76 0.00 0.00 175.35 175.25 3pax s PRO 749 N -1.84 4.22 0.35 -1.68 0.04 -1.26 -4.99 135.00 129.83 3pax s PRO 749 Ca 0.50 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 3pax s PRO 749 Cb -0.29 -3.64 -0.09 0.00 0.04 0.00 0.00 34.50 30.51 3pax s PRO 749 CO 0.37 -0.71 1.18 -1.25 0.04 0.00 0.00 177.00 176.63 3pax s PRO 750 N 2.76 4.31 0.47 0.56 0.04 -1.26 -5.01 135.00 136.87 3pax s PRO 750 Ca 0.71 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 3pax s PRO 750 Cb -0.37 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 3pax s PRO 750 CO 0.30 -0.12 1.00 -0.51 0.04 0.00 0.00 177.00 177.71 3pax s LEU 751 N -2.02 3.84 -1.52 -3.56 1.43 -1.26 -4.93 118.68 110.66 3pax s LEU 751 Ca 0.51 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 3pax s LEU 751 Cb -0.33 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.34 3pax s LEU 751 CO 0.42 -0.61 2.60 0.18 0.23 0.00 0.00 176.35 179.17 3pax n LEU 752 N -0.97 7.94 0.00 1.79 4.77 -1.26 -4.20 117.00 125.07 3pax n LEU 752 Ca 0.08 -4.35 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 3pax n LEU 752 Cb 0.53 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3pax n LEU 752 CO 0.40 1.70 0.21 -1.54 -1.33 0.00 0.00 177.39 176.83 3pax n SER 753 N 4.29 0.83 -4.40 -1.43 3.41 -1.26 -4.88 113.62 110.19 3pax n SER 753 Ca 0.66 -0.92 -0.35 0.00 -0.26 0.00 0.00 58.87 58.00 3pax n SER 753 Cb 0.29 0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 3pax n SER 753 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3pax s ASN 754 N -0.16 4.56 0.54 4.04 3.84 -1.26 -4.99 114.94 121.52 3pax s ASN 754 Ca 0.00 -0.27 0.22 0.00 0.21 0.00 0.00 52.86 53.03 3pax s ASN 754 Cb 0.00 -1.77 1.45 0.00 -0.55 0.00 0.00 41.25 40.38 3pax s ASN 754 CO 0.00 0.06 2.11 -0.07 -2.79 0.00 0.00 177.10 176.42 3pax h LEU 755 N 7.50 0.00 -0.28 3.21 3.38 -1.98 -2.01 115.31 125.14 3pax h LEU 755 Ca -0.36 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.42 3pax h LEU 755 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3pax h LEU 755 CO 0.60 0.00 -0.59 -0.33 0.09 0.00 0.00 178.44 178.21 3pax h GLU 756 N 0.00 0.86 -0.39 1.13 5.08 -1.99 -2.32 114.58 116.95 3pax h GLU 756 Ca 0.08 -0.57 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 3pax h GLU 756 Cb 0.35 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3pax h GLU 756 CO -0.00 1.20 -0.15 -0.92 -1.00 0.00 0.00 179.01 178.14 3pax h TYR 757 N 0.65 0.80 -0.63 4.33 3.20 -1.81 -1.94 116.97 121.57 3pax h TYR 757 Ca 0.00 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.65 3pax h TYR 757 Cb 1.20 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 3pax h TYR 757 CO 0.07 0.83 0.12 0.82 -1.64 0.00 0.00 178.16 178.37 3pax h ILE 758 N 0.65 1.26 -0.69 1.81 2.04 -1.34 -1.40 117.51 119.83 3pax h ILE 758 Ca 0.10 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3pax h ILE 758 Cb 0.63 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3pax h ILE 758 CO 0.04 0.36 0.20 1.56 0.00 0.00 0.00 178.15 180.32 3pax h GLN 759 N 0.94 1.08 -0.71 2.37 7.50 -1.22 -0.44 115.11 124.63 3pax h GLN 759 Ca 0.19 -0.23 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 3pax h GLN 759 Cb 0.40 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.74 3pax h GLN 759 CO 0.01 0.93 0.35 0.00 -1.50 0.00 0.00 178.83 178.62 3pax h ALA 760 N 1.18 0.91 0.00 3.87 0.00 -0.96 -1.74 119.26 122.52 3pax h ALA 760 Ca 0.22 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3pax h ALA 760 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3pax h ALA 760 CO -0.01 0.46 -0.48 0.87 0.00 0.00 0.00 179.25 180.10 3pax h LYS 761 N 0.98 0.00 -0.31 0.00 1.79 -0.64 -1.76 116.57 116.62 3pax h LYS 761 Ca 0.24 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.57 3pax h LYS 761 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3pax h LYS 761 CO -0.03 0.48 -0.40 0.28 -1.08 0.00 0.00 179.45 178.69 3pax h VAL 762 N 0.00 1.29 -0.48 0.50 2.07 -0.67 -2.62 116.25 116.33 3pax h VAL 762 Ca -0.00 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3pax h VAL 762 Cb 0.88 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3pax h VAL 762 CO 0.06 0.51 0.20 1.56 0.02 0.00 0.00 177.57 179.93 3pax h GLN 763 N 0.62 0.71 -0.45 1.57 7.50 -0.94 -1.95 115.11 122.17 3pax h GLN 763 Ca 0.05 -0.12 0.06 0.00 0.50 0.00 0.00 58.65 59.14 3pax h GLN 763 Cb 0.96 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 28.32 3pax h GLN 763 CO 0.09 0.62 0.13 1.98 -1.50 0.00 0.00 178.83 180.16 3pax h MET 764 N 0.63 0.28 -0.27 1.46 4.05 -1.26 -2.23 114.93 117.59 3pax h MET 764 Ca 0.16 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3pax h MET 764 Cb 0.17 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3pax h MET 764 CO -0.02 0.19 -0.06 -0.07 0.23 0.00 0.00 176.91 177.18 3pax h LEU 765 N 0.29 0.40 -1.11 3.39 3.38 -1.12 -0.07 115.31 120.48 3pax h LEU 765 Ca 0.21 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3pax h LEU 765 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3pax h LEU 765 CO -0.24 0.51 0.59 0.44 0.09 0.00 0.00 178.44 179.83 3pax h ASP 766 N 0.41 1.04 -0.10 -0.43 3.32 -0.77 -1.87 116.42 118.01 3pax h ASP 766 Ca 0.09 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3pax h ASP 766 Cb 0.36 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.66 3pax h ASP 766 CO 0.02 0.76 -0.59 0.78 -1.72 0.00 0.00 179.24 178.49 3pax h ASN 767 N 1.22 0.69 0.03 6.45 2.35 -1.02 -3.15 115.58 122.16 3pax h ASN 767 Ca 0.33 -0.65 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3pax h ASN 767 Cb -0.13 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 3pax h ASN 767 CO -0.07 1.24 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.86 3pax h LEU 768 N 0.20 0.00 -1.01 1.61 3.38 -0.78 -1.18 115.31 117.53 3pax h LEU 768 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3pax h LEU 768 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3pax h LEU 768 CO 0.12 0.02 0.11 -0.07 0.09 0.00 0.00 178.44 178.71 3pax h LEU 769 N 0.00 0.78 0.13 1.67 3.38 -1.30 0.35 115.31 120.32 3pax h LEU 769 Ca -0.00 -0.15 -0.30 0.00 0.09 0.00 0.00 57.88 57.52 3pax h LEU 769 Cb 0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3pax h LEU 769 CO 0.00 0.77 -1.50 0.44 0.09 0.00 0.00 178.44 178.25 3pax h ASP 770 N 0.80 0.43 -0.46 -0.43 3.32 -1.35 -3.15 116.42 115.58 3pax h ASP 770 Ca 0.17 -0.57 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 3pax h ASP 770 Cb 0.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3pax h ASP 770 CO 0.00 1.46 0.13 0.40 -1.72 0.00 0.00 179.24 179.51 3pax h ILE 771 N 0.08 1.23 -0.87 0.35 2.04 -1.12 -1.45 117.51 117.76 3pax h ILE 771 Ca -0.23 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 64.94 3pax h ILE 771 Cb 2.02 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 3pax h ILE 771 CO 0.18 0.28 0.52 -0.08 0.00 0.00 0.00 178.15 179.05 3pax h GLU 772 N 0.60 0.86 -0.25 2.37 4.22 -1.04 -0.94 114.58 120.40 3pax h GLU 772 Ca 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 3pax h GLU 772 Cb 0.29 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3pax h GLU 772 CO -0.00 0.57 0.09 0.28 -2.18 0.00 0.00 179.01 177.76 3pax h VAL 773 N 0.89 1.19 -0.18 0.32 2.07 -1.40 -1.94 116.25 117.19 3pax h VAL 773 Ca 0.41 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3pax h VAL 773 Cb 0.33 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3pax h VAL 773 CO -0.23 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.47 3pax h ALA 774 N 0.92 0.07 -0.50 1.67 0.00 -0.28 -1.65 119.26 119.49 3pax h ALA 774 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3pax h ALA 774 Cb 0.21 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3pax h ALA 774 CO -0.00 -0.52 0.23 -0.92 0.00 0.00 0.00 179.25 178.04 3pax h TYR 775 N -0.06 0.74 -0.93 0.00 3.20 -1.18 -0.73 116.97 118.01 3pax h TYR 775 Ca 0.10 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3pax h TYR 775 Cb 0.21 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3pax h TYR 775 CO -0.24 0.59 0.61 0.77 -1.64 0.00 0.00 178.16 178.25 3pax h SER 776 N 0.67 1.00 -0.19 -2.11 0.02 -1.00 -1.99 113.55 109.95 3pax h SER 776 Ca 0.17 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 3pax h SER 776 Cb 0.14 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3pax h SER 776 CO -0.02 0.68 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.69 3pax h LEU 777 N 1.16 0.89 -1.61 5.07 3.38 -0.98 -2.64 115.31 120.59 3pax h LEU 777 Ca 0.37 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3pax h LEU 777 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3pax h LEU 777 CO -0.12 1.28 -0.02 0.25 0.09 0.00 0.00 178.44 179.93 3pax h LEU 778 N 0.59 0.21 -1.71 1.67 5.85 -0.44 -2.03 115.31 119.45 3pax h LEU 778 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pax h LEU 778 Cb 1.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3pax h LEU 778 CO 0.13 0.27 0.00 -2.11 -0.34 0.00 0.00 178.44 176.38 3pax n ARG 779 N -4.39 2.17 0.00 1.25 1.85 -0.83 -4.93 116.66 111.78 3pax n ARG 779 Ca -0.01 -1.71 0.00 0.00 -1.00 0.00 0.00 57.85 55.14 3pax n ARG 779 Cb 0.18 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 3pax n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pax n GLY 780 N 1.32 -1.33 3.45 2.89 0.00 -0.76 -4.78 105.19 105.97 3pax n GLY 780 Ca 0.16 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3pax n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pax n GLY 781 N 3.24 -0.29 0.27 -0.02 0.00 -1.26 -4.67 105.19 102.46 3pax n GLY 781 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3pax n GLY 781 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pax n ASN 782 N 14.22 2.11 -0.29 1.61 4.13 -1.26 -4.76 115.26 131.03 3pax n ASN 782 Ca 0.40 -1.75 -0.05 0.00 1.68 0.00 0.00 54.58 54.87 3pax n ASN 782 Cb 0.40 -0.07 0.09 0.00 -1.54 0.00 0.00 39.78 38.66 3pax n ASN 782 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3pax h GLU 783 N 0.95 1.18 -6.03 3.52 9.09 -1.99 -3.45 114.58 117.86 3pax h GLU 783 Ca 0.00 -0.19 -0.83 0.00 0.05 0.00 0.00 59.36 58.39 3pax h GLU 783 Cb 0.48 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3pax h GLU 783 CO 0.00 0.93 0.85 -3.47 0.05 0.00 0.00 179.01 177.38 3pax n ASP 784 N -4.29 1.43 0.09 3.06 -0.08 -1.26 -4.85 116.55 110.64 3pax n ASP 784 Ca 0.08 1.06 0.12 0.00 -1.51 0.00 0.00 54.79 54.53 3pax n ASP 784 Cb 0.17 -0.95 0.01 0.00 2.34 0.00 0.00 41.12 42.68 3pax n ASP 784 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3pax n GLY 785 N 4.65 -1.42 0.00 0.27 0.00 -1.26 -4.09 105.19 103.34 3pax n GLY 785 Ca 0.34 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3pax n GLY 785 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3pax n ASP 786 N -2.56 0.00 -4.41 1.61 9.92 -1.26 -4.78 116.55 115.08 3pax n ASP 786 Ca 0.00 -0.05 -0.30 0.00 -0.53 0.00 0.00 54.79 53.91 3pax n ASP 786 Cb 0.53 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.59 3pax n ASP 786 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3pax s LYS 787 N -2.59 1.84 0.41 -1.24 1.02 -1.26 -4.95 119.74 112.98 3pax s LYS 787 Ca 0.24 -1.11 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 3pax s LYS 787 Cb 0.17 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 3pax s LYS 787 CO 0.39 0.51 1.08 0.34 -0.92 0.00 0.00 175.35 176.75 3pax s ASP 788 N -1.54 6.61 0.25 2.83 -1.08 -1.26 -4.87 116.67 117.61 3pax s ASP 788 Ca 0.14 2.11 -0.04 0.00 -0.52 0.00 0.00 52.55 54.24 3pax s ASP 788 Cb -0.10 -2.59 0.48 0.00 -1.46 0.00 0.00 42.92 39.25 3pax s ASP 788 CO 0.05 -0.60 1.68 -0.65 0.52 0.00 0.00 175.17 176.17 3pax h PRO 789 N 2.39 0.25 -0.17 4.34 0.11 -1.97 -1.09 132.00 135.87 3pax h PRO 789 Ca -0.49 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3pax h PRO 789 Cb 1.22 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3pax h PRO 789 CO 0.62 0.17 -0.09 0.82 -0.21 0.00 0.00 178.00 179.31 3pax h ILE 790 N 0.26 0.72 -0.97 4.15 1.08 -1.98 -1.79 117.51 118.98 3pax h ILE 790 Ca 0.43 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.92 3pax h ILE 790 Cb 0.74 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 3pax h ILE 790 CO -0.53 0.00 0.64 0.44 -0.69 0.00 0.00 178.15 178.01 3pax h ASP 791 N -0.07 1.08 -0.39 1.72 5.19 -1.62 -0.76 116.42 121.56 3pax h ASP 791 Ca 0.10 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3pax h ASP 791 Cb 0.22 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3pax h ASP 791 CO -0.22 0.75 0.08 0.40 -3.12 0.00 0.00 179.24 177.13 3pax h ILE 792 N 1.26 1.24 -0.11 0.35 2.04 -0.83 -2.44 117.51 119.02 3pax h ILE 792 Ca 0.37 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 3pax h ILE 792 Cb -0.05 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3pax h ILE 792 CO -0.10 0.29 -0.44 0.78 0.00 0.00 0.00 178.15 178.67 3pax h ASN 793 N 0.50 0.27 -0.22 1.72 2.35 -0.89 -2.69 115.58 116.62 3pax h ASN 793 Ca 0.12 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3pax h ASN 793 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3pax h ASN 793 CO 0.00 0.68 0.11 0.22 -1.65 0.00 0.00 177.43 176.80 3pax h TYR 794 N 0.21 0.31 0.00 1.19 3.20 -1.03 -1.99 116.97 118.86 3pax h TYR 794 Ca 0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3pax h TYR 794 Cb 0.87 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 3pax h TYR 794 CO 0.02 0.29 -0.07 0.93 -1.64 0.00 0.00 178.16 177.69 3pax h GLU 795 N 0.24 0.00 0.00 1.82 5.08 -1.29 0.19 114.58 120.62 3pax h GLU 795 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3pax h GLU 795 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3pax h GLU 795 CO -0.01 0.07 -0.04 0.87 -1.00 0.00 0.00 179.01 178.90 3pax h LYS 796 N 0.00 0.00 0.00 2.33 1.57 -1.02 -2.75 116.57 116.70 3pax h LYS 796 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3pax h LYS 796 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3pax h LYS 796 CO 0.01 0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 3pax h LEU 797 N 0.00 0.00 -1.10 2.94 3.38 -0.85 -3.47 115.31 116.21 3pax h LEU 797 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3pax h LEU 797 Cb 0.49 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.08 3pax h LEU 797 CO 0.00 0.00 -0.82 0.54 0.09 0.00 0.00 178.44 178.26 3pax n ARG 798 N -2.77 -3.80 -3.74 1.13 1.74 -1.04 -3.99 116.66 104.19 3pax n ARG 798 Ca 0.04 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.34 3pax n ARG 798 Cb 0.46 -5.19 -0.18 0.00 -1.02 0.00 0.00 32.46 26.54 3pax n ARG 798 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3pax s THR 799 N -3.31 0.23 -0.16 0.55 2.01 -1.26 -1.47 115.64 112.23 3pax s THR 799 Ca 0.70 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 3pax s THR 799 Cb -0.37 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3pax s THR 799 CO 0.90 0.24 1.19 -0.62 -0.69 0.00 0.00 174.62 175.63 3pax s ASP 800 N 2.02 7.02 -0.10 3.53 2.15 -0.94 -4.87 116.67 125.47 3pax s ASP 800 Ca 0.05 1.63 0.02 0.00 0.43 0.00 0.00 52.55 54.68 3pax s ASP 800 Cb -0.12 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 3pax s ASP 800 CO -0.05 -0.69 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.47 3pax s ILE 801 N 3.12 2.78 0.02 4.11 1.01 -1.26 -1.30 121.20 129.68 3pax s ILE 801 Ca 0.52 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3pax s ILE 801 Cb -0.20 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3pax s ILE 801 CO 0.14 0.55 -0.09 -0.54 0.00 0.00 0.00 174.94 175.01 3pax s LYS 802 N 0.04 0.62 -0.03 2.79 1.02 0.07 -4.97 119.74 119.29 3pax s LYS 802 Ca -0.06 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 3pax s LYS 802 Cb -0.15 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.59 3pax s LYS 802 CO 0.05 0.14 0.90 0.08 -0.92 0.00 0.00 175.35 175.60 3pax s VAL 803 N -0.64 4.91 -0.10 3.17 1.01 -1.26 0.39 120.40 127.88 3pax s VAL 803 Ca -0.01 1.88 -0.23 0.00 0.00 0.00 0.00 61.98 63.63 3pax s VAL 803 Cb -0.06 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3pax s VAL 803 CO 0.00 0.17 0.67 -0.69 0.00 0.00 0.00 175.10 175.26 3pax s VAL 804 N 1.04 5.05 -0.06 2.92 1.01 -0.09 -4.87 120.40 125.40 3pax s VAL 804 Ca 0.48 1.36 -0.31 0.00 0.00 0.00 0.00 61.98 63.51 3pax s VAL 804 Cb -0.20 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3pax s VAL 804 CO 0.24 0.23 2.03 -0.67 0.00 0.00 0.00 175.10 176.93 3pax n ASP 805 N 4.02 3.75 -0.28 3.32 2.03 -1.26 -4.66 116.55 123.46 3pax n ASP 805 Ca -0.02 0.73 0.33 0.00 0.52 0.00 0.00 54.79 56.36 3pax n ASP 805 Cb 0.51 -1.49 0.74 0.00 -0.72 0.00 0.00 41.12 40.16 3pax n ASP 805 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3pax h LYS 806 N 11.48 0.00 -0.01 -0.67 1.79 -1.95 -1.19 116.57 126.02 3pax h LYS 806 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3pax h LYS 806 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 3pax h LYS 806 CO 0.95 0.00 -0.71 -0.25 -1.08 0.00 0.00 179.45 178.36 3pax n ASP 807 N -4.19 1.34 -4.65 0.86 9.92 -1.26 -4.55 116.55 114.02 3pax n ASP 807 Ca 0.24 -1.12 -0.29 0.00 -0.53 0.00 0.00 54.79 53.09 3pax n ASP 807 Cb 1.17 0.68 0.18 0.00 -0.64 0.00 0.00 41.12 42.52 3pax n ASP 807 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3pax s SER 808 N -2.77 2.47 0.24 -2.24 1.04 -0.45 -4.82 113.70 107.17 3pax s SER 808 Ca 0.13 1.37 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 3pax s SER 808 Cb 0.17 -2.05 0.27 0.00 0.10 0.00 0.00 66.02 64.51 3pax s SER 808 CO 0.72 -3.25 1.78 -0.33 0.98 0.00 0.00 173.24 173.14 3pax h GLU 809 N -1.97 0.98 -0.36 4.02 4.39 -1.94 -2.29 114.58 117.42 3pax h GLU 809 Ca -0.54 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.01 3pax h GLU 809 Cb 1.32 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 3pax h GLU 809 CO 0.55 0.87 -0.04 1.49 -1.16 0.00 0.00 179.01 180.71 3pax h GLU 810 N 0.94 0.05 -0.44 2.33 4.81 -1.92 -0.82 114.58 119.53 3pax h GLU 810 Ca 0.20 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3pax h GLU 810 Cb 0.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3pax h GLU 810 CO -0.00 0.03 -0.13 0.00 -0.73 0.00 0.00 179.01 178.18 3pax h ALA 811 N 1.33 0.94 -0.08 2.92 0.00 -1.74 -2.35 119.26 120.30 3pax h ALA 811 Ca 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3pax h ALA 811 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3pax h ALA 811 CO -0.33 0.62 0.03 0.87 0.00 0.00 0.00 179.25 180.44 3pax h LYS 812 N 0.73 0.12 -0.37 0.00 1.57 -0.80 -0.29 116.57 117.52 3pax h LYS 812 Ca 0.12 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3pax h LYS 812 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3pax h LYS 812 CO 0.04 0.24 0.18 0.82 -0.57 0.00 0.00 179.45 180.16 3pax h ILE 813 N -0.03 0.98 -0.71 1.86 2.04 -1.11 -1.50 117.51 119.03 3pax h ILE 813 Ca 0.03 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3pax h ILE 813 Cb 0.16 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3pax h ILE 813 CO -0.00 0.07 0.29 0.40 0.00 0.00 0.00 178.15 178.90 3pax h ILE 814 N 0.37 1.24 -0.01 -0.67 2.04 -1.28 -0.42 117.51 118.78 3pax h ILE 814 Ca 0.16 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3pax h ILE 814 Cb 0.06 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3pax h ILE 814 CO -0.11 0.31 -0.37 0.11 0.00 0.00 0.00 178.15 178.09 3pax h LYS 815 N 1.03 0.02 -0.31 2.37 1.57 -0.69 -1.58 116.57 118.98 3pax h LYS 815 Ca 0.24 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 3pax h LYS 815 Cb 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3pax h LYS 815 CO -0.02 0.38 -0.46 0.37 -0.57 0.00 0.00 179.45 179.16 3pax h GLN 816 N 0.02 0.86 -0.80 3.15 5.75 -0.50 -1.22 115.11 122.38 3pax h GLN 816 Ca -0.00 -0.51 -0.04 0.00 -0.15 0.00 0.00 58.65 57.95 3pax h GLN 816 Cb 0.66 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 3pax h GLN 816 CO 0.05 1.15 0.33 -0.92 -2.65 0.00 0.00 178.83 176.78 3pax h TYR 817 N 0.65 1.21 0.09 3.99 5.03 -0.71 -0.88 116.97 126.34 3pax h TYR 817 Ca 0.03 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 3pax h TYR 817 Cb 1.06 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.98 3pax h TYR 817 CO 0.07 0.91 -0.04 0.28 -1.32 0.00 0.00 178.16 178.06 3pax h VAL 818 N 1.16 1.14 0.64 1.81 2.07 -1.15 -2.79 116.25 119.13 3pax h VAL 818 Ca 0.27 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3pax h VAL 818 Cb 0.21 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3pax h VAL 818 CO -0.02 0.23 -0.31 0.50 0.02 0.00 0.00 177.57 177.99 3pax h LYS 819 N -0.55 -0.83 -0.83 1.57 3.64 -1.16 -3.26 116.57 115.16 3pax h LYS 819 Ca -0.01 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3pax h LYS 819 Cb 0.46 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3pax h LYS 819 CO 0.02 -0.55 0.41 -0.91 -2.27 0.00 0.00 179.45 176.16 3pax h ASN 820 N -0.87 1.07 -0.31 4.20 2.35 -1.29 -3.12 115.58 117.61 3pax h ASN 820 Ca -0.09 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 3pax h ASN 820 Cb 0.66 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 3pax h ASN 820 CO 0.14 0.89 0.08 0.35 -1.65 0.00 0.00 177.43 177.25 3pax n THR 821 N -4.31 1.46 -2.93 2.81 -2.24 -1.05 -3.73 114.28 104.28 3pax n THR 821 Ca 0.08 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.74 3pax n THR 821 Cb 0.13 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 3pax n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3pax s HIS 822 N -1.71 2.85 0.87 4.78 5.04 -1.18 -2.34 115.29 123.60 3pax s HIS 822 Ca 0.25 -0.25 -0.14 0.00 -1.54 0.00 0.00 55.06 53.38 3pax s HIS 822 Cb 0.20 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 28.86 3pax s HIS 822 CO 0.07 -1.31 0.41 0.00 -2.34 0.00 0.00 174.74 171.57 3pax n ALA 823 N 7.12 -2.31 -0.01 1.58 0.00 -1.26 -4.94 120.51 120.69 3pax n ALA 823 Ca -0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 3pax n ALA 823 Cb 0.46 -1.79 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 3pax n ALA 823 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pax h ALA 824 N -1.11 0.19 0.00 0.00 0.00 -1.96 -3.28 119.26 113.10 3pax h ALA 824 Ca -0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3pax h ALA 824 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3pax h ALA 824 CO 0.37 0.48 0.00 1.79 0.00 0.00 0.00 179.25 181.89 3pax h THR 825 N 0.21 0.00 -0.48 0.00 1.35 -2.04 -3.05 112.91 108.91 3pax h THR 825 Ca -0.06 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3pax h THR 825 Cb 1.31 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3pax h THR 825 CO 0.13 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.81 3pax n HIS 826 N -2.81 1.03 -1.63 4.73 -0.00 -1.24 -4.64 115.22 110.66 3pax n HIS 826 Ca 0.03 -0.42 -0.33 0.00 -0.00 0.00 0.00 57.72 57.00 3pax n HIS 826 Cb 0.40 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.19 3pax n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3pax n ASN 827 N 0.80 7.49 -0.67 0.41 3.02 -1.15 -3.76 115.26 121.39 3pax n ASN 827 Ca 0.19 -2.98 0.09 0.00 -0.03 0.00 0.00 54.58 51.85 3pax n ASN 827 Cb 0.64 -1.37 0.07 0.00 -0.61 0.00 0.00 39.78 38.51 3pax n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pax n ALA 828 N 1.95 2.51 -3.54 5.41 0.00 -1.26 -4.97 120.51 120.61 3pax n ALA 828 Ca 0.60 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 3pax n ALA 828 Cb 0.39 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 3pax n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3pax s TYR 829 N -1.46 -0.46 0.62 0.00 -0.85 -1.25 -3.24 117.35 110.72 3pax s TYR 829 Ca 0.20 0.68 0.06 0.00 -0.52 0.00 0.00 57.07 57.49 3pax s TYR 829 Cb 0.14 0.46 0.10 0.00 0.38 0.00 0.00 41.96 43.04 3pax s TYR 829 CO 0.23 -0.48 0.86 -0.51 -1.52 0.00 0.00 175.55 174.12 3pax s ASP 830 N -1.47 4.85 -0.04 -0.18 1.01 0.92 -4.90 116.67 116.85 3pax s ASP 830 Ca -0.03 -0.68 -0.02 0.00 0.71 0.00 0.00 52.55 52.53 3pax s ASP 830 Cb -0.00 0.18 0.03 0.00 1.01 0.00 0.00 42.92 44.14 3pax s ASP 830 CO 0.01 -1.51 0.08 -0.22 0.21 0.00 0.00 175.17 173.74 3pax s LEU 831 N -4.82 0.41 -0.11 1.23 2.96 -1.26 -1.78 118.68 115.30 3pax s LEU 831 Ca 0.63 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3pax s LEU 831 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 46.19 46.63 3pax s LEU 831 CO 0.41 -0.21 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.27 3pax s LYS 832 N 1.80 3.15 -0.53 1.98 2.20 -0.30 -4.97 119.74 123.07 3pax s LYS 832 Ca -0.01 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 3pax s LYS 832 Cb -0.12 -2.41 0.03 0.00 -1.51 0.00 0.00 37.83 33.82 3pax s LYS 832 CO -0.04 0.18 1.18 0.08 -0.36 0.00 0.00 175.35 176.39 3pax s VAL 833 N 0.38 4.09 0.04 4.02 1.01 -1.26 -0.57 120.40 128.11 3pax s VAL 833 Ca -0.16 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 3pax s VAL 833 Cb -0.17 -4.65 -0.34 0.00 0.00 0.00 0.00 36.38 31.21 3pax s VAL 833 CO 0.07 -1.17 1.03 0.58 0.00 0.00 0.00 175.10 175.61 3pax h VAL 834 N 6.21 1.31 -2.00 2.92 2.07 -1.05 -3.48 116.25 122.22 3pax h VAL 834 Ca -0.24 -2.73 -0.05 0.00 0.82 0.00 0.00 66.70 64.51 3pax h VAL 834 Cb 1.06 3.01 -0.20 0.00 -1.52 0.00 0.00 31.29 33.63 3pax h VAL 834 CO 1.16 0.82 0.15 -0.70 0.02 0.00 0.00 177.57 179.01 3pax s GLU 835 N -2.64 0.92 -0.11 1.57 2.56 -1.05 -4.97 118.70 114.98 3pax s GLU 835 Ca -0.08 0.72 0.03 0.00 0.00 0.00 0.00 54.97 55.64 3pax s GLU 835 Cb 0.05 0.44 0.00 0.00 2.00 0.00 0.00 34.13 36.62 3pax s GLU 835 CO 0.94 -0.19 -0.23 0.42 -0.56 0.00 0.00 175.26 175.64 3pax s ILE 836 N -0.21 2.06 -0.03 -3.70 1.01 -1.26 -0.24 121.20 118.83 3pax s ILE 836 Ca -0.04 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.67 3pax s ILE 836 Cb -0.03 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3pax s ILE 836 CO 0.04 0.56 -0.24 -0.36 0.00 0.00 0.00 174.94 174.94 3pax s PHE 837 N 0.52 2.41 -0.31 3.97 0.40 0.80 -0.92 117.98 124.85 3pax s PHE 837 Ca -0.15 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 3pax s PHE 837 Cb -0.17 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 3pax s PHE 837 CO 0.05 -0.00 0.43 0.50 0.70 0.00 0.00 175.22 176.90 3pax s ARG 838 N -0.62 3.79 0.01 0.44 6.06 0.16 -0.77 118.95 128.03 3pax s ARG 838 Ca 0.10 -0.09 0.06 0.00 -2.50 0.00 0.00 55.73 53.29 3pax s ARG 838 Cb -0.10 -3.74 -0.03 0.00 0.06 0.00 0.00 34.95 31.14 3pax s ARG 838 CO -0.01 -0.46 -0.16 0.96 -2.50 0.00 0.00 175.30 173.14 3pax s ILE 839 N 2.19 2.95 -0.33 4.11 -4.36 -0.46 -0.75 121.20 124.55 3pax s ILE 839 Ca 0.16 -0.99 -0.01 0.00 -0.26 0.00 0.00 60.65 59.55 3pax s ILE 839 Cb -0.16 -2.21 0.13 0.00 1.25 0.00 0.00 42.46 41.47 3pax s ILE 839 CO 0.11 0.43 0.21 -0.70 0.24 0.00 0.00 174.94 175.23 3pax s GLU 840 N -1.19 0.41 0.32 0.37 2.56 -0.42 -4.38 118.70 116.37 3pax s GLU 840 Ca 0.14 -0.89 -0.29 0.00 0.00 0.00 0.00 54.97 53.93 3pax s GLU 840 Cb -0.11 -1.13 -0.10 0.00 2.00 0.00 0.00 34.13 34.79 3pax s GLU 840 CO 0.04 -1.13 1.37 1.03 -0.56 0.00 0.00 175.26 176.02 3pax s ARG 841 N 1.59 4.28 0.23 4.30 0.52 -1.26 -2.22 118.95 126.39 3pax s ARG 841 Ca 0.14 2.31 -0.32 0.00 -0.52 0.00 0.00 55.73 57.34 3pax s ARG 841 Cb -0.19 -3.06 -0.13 0.00 0.52 0.00 0.00 34.95 32.10 3pax s ARG 841 CO -0.16 -0.31 1.56 -1.91 0.02 0.00 0.00 175.30 174.50 3pax n GLU 842 N 1.07 2.38 -0.58 3.54 2.13 -0.54 -2.18 120.64 126.46 3pax n GLU 842 Ca 0.02 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3pax n GLU 842 Cb 0.41 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.51 3pax n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pax n GLY 843 N 2.85 0.71 0.15 8.31 0.00 -1.26 -4.86 105.19 111.09 3pax n GLY 843 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 3pax n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3pax h GLU 844 N 1.38 0.46 -0.60 1.61 4.81 -1.83 -2.59 114.58 117.82 3pax h GLU 844 Ca 0.00 -0.44 0.08 0.00 -0.13 0.00 0.00 59.36 58.88 3pax h GLU 844 Cb 0.00 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3pax h GLU 844 CO 0.00 1.08 0.40 0.77 -0.73 0.00 0.00 179.01 180.53 3pax h SER 845 N -0.01 0.43 -0.12 1.04 0.02 -1.90 -1.36 113.55 111.65 3pax h SER 845 Ca -0.06 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 3pax h SER 845 Cb 1.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3pax h SER 845 CO 0.11 0.27 -0.27 -0.61 -1.14 0.00 0.00 176.83 175.19 3pax h GLN 846 N 0.48 0.40 0.00 3.45 5.75 -1.92 -2.11 115.11 121.16 3pax h GLN 846 Ca 0.27 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3pax h GLN 846 Cb 0.43 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.01 3pax h GLN 846 CO -0.08 0.87 0.00 0.07 -2.65 0.00 0.00 178.83 177.04 3pax h ARG 847 N -0.02 0.00 0.00 1.69 0.11 -1.10 -2.71 114.38 112.34 3pax h ARG 847 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3pax h ARG 847 Cb 0.87 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.94 3pax h ARG 847 CO 0.06 0.00 -0.56 -0.92 0.10 0.00 0.00 179.97 178.65 3pax h TYR 848 N 0.00 0.00 -0.96 4.08 3.20 -1.18 -3.40 116.97 118.70 3pax h TYR 848 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 3pax h TYR 848 Cb 0.64 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.73 3pax h TYR 848 CO 0.00 0.03 -0.24 1.63 -1.64 0.00 0.00 178.16 177.94 3pax n LYS 849 N -2.88 -0.09 -0.04 1.82 4.76 -0.80 -0.98 118.16 119.95 3pax n LYS 849 Ca 0.02 1.50 0.23 0.00 -2.87 0.00 0.00 58.31 57.18 3pax n LYS 849 Cb 0.56 -2.24 0.71 0.00 -1.84 0.00 0.00 35.03 32.21 3pax n LYS 849 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3pax h PRO 850 N 0.00 0.00 -0.00 1.97 0.11 -1.81 -2.26 132.00 130.01 3pax h PRO 850 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3pax h PRO 850 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3pax h PRO 850 CO -0.99 0.00 -0.02 1.19 -0.21 0.00 0.00 178.00 177.97 3pax n PHE 851 N -4.28 0.00 0.73 0.65 3.72 -0.15 -3.05 117.46 115.07 3pax n PHE 851 Ca 0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.63 3pax n PHE 851 Cb 0.70 -0.08 0.48 0.00 -0.94 0.00 0.00 39.48 39.64 3pax n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3pax n LYS 852 N -0.89 0.05 0.15 -1.08 5.02 -0.85 -2.06 118.16 118.50 3pax n LYS 852 Ca 0.20 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 3pax n LYS 852 Cb 0.19 -1.58 0.35 0.00 -0.02 0.00 0.00 35.03 33.98 3pax n LYS 852 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3pax h GLN 853 N 0.00 0.00 -6.93 1.97 1.08 -1.75 -3.45 115.11 106.03 3pax h GLN 853 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3pax h GLN 853 Cb 0.44 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3pax h GLN 853 CO 0.00 0.00 0.18 -0.51 -0.95 0.00 0.00 178.83 177.55 3pax s LEU 854 N -5.11 3.78 0.60 1.46 1.43 -0.88 -5.09 118.68 114.87 3pax s LEU 854 Ca 0.09 1.24 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 3pax s LEU 854 Cb 0.10 -4.14 0.09 0.00 0.03 0.00 0.00 46.19 42.27 3pax s LEU 854 CO 0.60 -0.45 0.83 -1.38 0.23 0.00 0.00 176.35 176.18 3pax s HIS 855 N -2.44 1.67 -1.27 0.29 -3.43 -1.26 -4.63 115.29 104.23 3pax s HIS 855 Ca 0.53 -0.52 -0.04 0.00 -0.80 0.00 0.00 55.06 54.23 3pax s HIS 855 Cb -0.10 -2.49 0.00 0.00 -1.43 0.00 0.00 32.58 28.56 3pax s HIS 855 CO 0.31 -1.23 1.07 -1.71 -2.00 0.00 0.00 174.74 171.18 3pax n ASN 856 N -2.39 -3.76 -4.67 7.38 5.15 -1.26 -1.85 115.26 113.87 3pax n ASN 856 Ca 0.14 -0.59 -0.40 0.00 -0.60 0.00 0.00 54.58 53.13 3pax n ASN 856 Cb 0.61 -5.06 -0.06 0.00 -0.53 0.00 0.00 39.78 34.74 3pax n ASN 856 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3pax s ARG 857 N -5.76 4.24 0.15 1.20 0.52 -1.26 -2.32 118.95 115.73 3pax s ARG 857 Ca 0.24 0.61 0.06 0.00 -0.52 0.00 0.00 55.73 56.12 3pax s ARG 857 Cb -0.10 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3pax s ARG 857 CO 0.73 -0.17 -0.13 -0.65 0.02 0.00 0.00 175.30 175.10 3pax s GLN 858 N 1.68 1.13 -0.53 3.54 -0.21 -0.64 -2.23 119.66 122.40 3pax s GLN 858 Ca 0.29 -1.40 -0.18 0.00 0.02 0.00 0.00 55.36 54.09 3pax s GLN 858 Cb -0.16 -0.90 0.08 0.00 1.00 0.00 0.00 33.01 33.04 3pax s GLN 858 CO 0.11 0.15 0.60 -1.17 -2.12 0.00 0.00 175.29 172.86 3pax s LEU 859 N -2.90 5.36 0.28 2.90 2.96 -0.30 -0.06 118.68 126.92 3pax s LEU 859 Ca 0.15 -1.26 0.09 0.00 -0.22 0.00 0.00 54.13 52.89 3pax s LEU 859 Cb -0.02 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3pax s LEU 859 CO 0.03 -0.92 0.01 -0.76 -1.32 0.00 0.00 176.35 173.39 3pax s LEU 860 N 2.37 3.18 0.15 -0.68 1.43 -0.41 -4.63 118.68 120.10 3pax s LEU 860 Ca 0.11 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 3pax s LEU 860 Cb -0.23 -1.69 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 3pax s LEU 860 CO 0.08 -0.05 0.54 0.26 0.23 0.00 0.00 176.35 177.41 3pax s TRP 861 N -2.35 3.59 -0.21 0.29 0.52 0.10 -1.04 118.94 119.83 3pax s TRP 861 Ca 0.32 1.04 -0.04 0.00 0.02 0.00 0.00 56.10 57.44 3pax s TRP 861 Cb -0.05 -2.35 0.09 0.00 -1.15 0.00 0.00 33.47 30.00 3pax s TRP 861 CO 0.20 0.42 0.19 -1.58 0.02 0.00 0.00 176.95 176.20 3pax s HIS 862 N -1.49 -0.15 0.14 -1.98 2.46 0.02 -1.34 115.29 112.94 3pax s HIS 862 Ca 0.38 -0.00 -0.01 0.00 0.47 0.00 0.00 55.06 55.90 3pax s HIS 862 Cb -0.15 -0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 31.78 3pax s HIS 862 CO 0.19 -0.62 0.32 0.20 -2.47 0.00 0.00 174.74 172.36 3pax s GLY 863 N 2.27 2.00 0.07 1.59 0.00 -1.26 -0.40 107.32 111.59 3pax s GLY 863 Ca 0.06 -0.80 -0.27 0.00 0.00 0.00 0.00 44.72 43.72 3pax s GLY 863 CO -0.15 -0.76 0.82 -0.45 0.00 0.00 0.00 173.10 172.56 3pax s SER 864 N -2.82 -0.39 0.66 1.64 0.15 -1.22 -4.70 113.70 107.02 3pax s SER 864 Ca 0.37 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 3pax s SER 864 Cb -0.12 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3pax s SER 864 CO 0.28 -0.77 1.21 -0.13 1.20 0.00 0.00 173.24 175.03 3pax s ARG 865 N -3.33 2.60 0.55 5.44 0.52 -1.21 -4.33 118.95 119.20 3pax s ARG 865 Ca 0.05 1.79 0.25 0.00 -0.52 0.00 0.00 55.73 57.30 3pax s ARG 865 Cb -0.01 -1.89 1.56 0.00 0.52 0.00 0.00 34.95 35.13 3pax s ARG 865 CO -0.08 -1.49 2.18 1.79 0.02 0.00 0.00 175.30 177.72 3pax h THR 866 N 0.34 0.70 0.00 0.02 1.35 -1.91 -1.79 112.91 111.62 3pax h THR 866 Ca -0.49 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3pax h THR 866 Cb 1.30 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3pax h THR 866 CO 0.53 0.03 0.00 0.35 -0.25 0.00 0.00 175.52 176.18 3pax n THR 867 N -4.03 0.93 0.84 6.82 -2.24 -1.26 -2.51 114.28 112.83 3pax n THR 867 Ca -0.03 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 3pax n THR 867 Cb 0.12 -1.14 0.02 0.00 -2.10 0.00 0.00 70.33 67.23 3pax n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3pax n ASN 868 N -1.98 0.71 0.24 3.42 3.02 -0.67 -4.27 115.26 115.73 3pax n ASN 868 Ca 0.02 -0.54 0.09 0.00 -0.03 0.00 0.00 54.58 54.13 3pax n ASN 868 Cb 0.19 0.78 0.61 0.00 -0.61 0.00 0.00 39.78 40.76 3pax n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3pax h PHE 869 N 0.00 0.00 -0.04 3.10 -1.00 -1.60 0.82 116.94 118.22 3pax h PHE 869 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 3pax h PHE 869 Cb 0.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 3pax h PHE 869 CO 0.00 0.17 -0.70 0.00 -1.61 0.00 0.00 178.31 176.17 3pax h ALA 870 N 1.83 0.73 -0.08 2.45 0.00 -1.80 -0.95 119.26 121.43 3pax h ALA 870 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 3pax h ALA 870 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pax h ALA 870 CO 0.02 0.80 -0.19 0.78 0.00 0.00 0.00 179.25 180.66 3pax h GLY 871 N 1.61 0.30 0.82 0.00 0.00 -1.53 -2.20 103.07 102.07 3pax h GLY 871 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3pax h GLY 871 CO 0.11 0.33 0.07 -2.22 0.00 0.00 0.00 176.54 174.84 3pax h ILE 872 N -0.20 0.94 -0.58 2.60 2.04 -0.80 -0.18 117.51 121.34 3pax h ILE 872 Ca -0.00 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 3pax h ILE 872 Cb 0.79 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3pax h ILE 872 CO 0.04 0.03 -0.05 -0.07 0.00 0.00 0.00 178.15 178.10 3pax h LEU 873 N 0.18 1.04 0.22 1.44 3.38 -1.22 0.90 115.31 121.25 3pax h LEU 873 Ca 0.10 -0.32 -0.33 0.00 0.09 0.00 0.00 57.88 57.43 3pax h LEU 873 Cb 0.07 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 40.57 3pax h LEU 873 CO -0.10 1.11 -1.46 0.77 0.09 0.00 0.00 178.44 178.85 3pax h SER 874 N 0.94 0.73 0.00 -0.43 4.64 -1.28 -3.37 113.55 114.78 3pax h SER 874 Ca 0.16 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3pax h SER 874 Cb 0.61 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3pax h SER 874 CO 0.04 1.64 -1.54 0.00 -0.87 0.00 0.00 176.83 176.10 3pax n GLN 875 N -3.66 0.59 0.00 4.77 1.13 -0.09 -4.99 117.38 115.13 3pax n GLN 875 Ca -0.16 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.79 3pax n GLN 875 Cb 1.09 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.98 3pax n GLN 875 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3pax n GLY 876 N 1.40 -1.60 3.76 1.08 0.00 0.31 -4.82 105.19 105.32 3pax n GLY 876 Ca -0.01 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3pax n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pax s LEU 877 N -4.25 4.48 0.06 0.99 1.43 -1.26 -4.57 118.68 115.57 3pax s LEU 877 Ca 0.00 2.43 -0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3pax s LEU 877 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3pax s LEU 877 CO 0.00 -0.32 -0.04 0.00 0.23 0.00 0.00 176.35 176.21 3pax s ARG 878 N -1.64 0.67 0.51 1.70 1.70 -1.26 -4.92 118.95 115.71 3pax s ARG 878 Ca 0.47 -1.23 -0.13 0.00 -0.47 0.00 0.00 55.73 54.37 3pax s ARG 878 Cb -0.35 0.07 -0.06 0.00 -0.57 0.00 0.00 34.95 34.03 3pax s ARG 878 CO 0.45 -0.08 0.92 0.96 -1.08 0.00 0.00 175.30 176.48 3pax s ILE 879 N -3.70 4.67 0.63 4.99 -0.00 -1.26 -4.83 121.20 121.69 3pax s ILE 879 Ca 0.07 0.91 -0.18 0.00 -0.00 0.00 0.00 60.65 61.45 3pax s ILE 879 Cb 0.06 -3.77 -0.02 0.00 -0.00 0.00 0.00 42.46 38.73 3pax s ILE 879 CO -0.08 -0.76 1.27 0.00 -0.00 0.00 0.00 174.94 175.37 3pax s ALA 880 N -2.69 2.44 0.94 2.27 0.00 -1.26 -4.98 121.76 118.49 3pax s ALA 880 Ca 0.55 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 3pax s ALA 880 Cb -0.10 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.66 3pax s ALA 880 CO 0.37 -1.44 1.10 -1.25 0.00 0.00 0.00 175.76 174.54 3pax s PRO 881 N -3.35 0.85 0.51 0.00 0.04 -1.26 -4.91 135.00 126.87 3pax s PRO 881 Ca 0.81 1.14 0.29 0.00 0.04 0.00 0.00 61.00 63.27 3pax s PRO 881 Cb -0.35 -1.74 1.40 0.00 0.04 0.00 0.00 34.50 33.85 3pax s PRO 881 CO 0.37 -2.62 1.89 -1.35 0.04 0.00 0.00 177.00 175.33 3pax h PRO 882 N -1.84 0.08 0.00 0.56 0.11 -2.02 -1.90 132.00 126.99 3pax h PRO 882 Ca -0.49 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3pax h PRO 882 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3pax h PRO 882 CO 0.48 0.05 -0.57 0.93 -0.21 0.00 0.00 178.00 178.68 3pax h GLU 883 N 0.08 0.00 -6.88 1.05 3.07 -1.91 -3.46 114.58 106.53 3pax h GLU 883 Ca 0.43 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.76 3pax h GLU 883 Cb 1.58 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.58 3pax h GLU 883 CO -0.04 0.57 0.77 0.00 -1.40 0.00 0.00 179.01 178.91 3pax s ALA 884 N -3.47 3.60 0.24 3.43 0.00 -0.72 -4.00 121.76 120.83 3pax s ALA 884 Ca -0.00 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 3pax s ALA 884 Cb 0.12 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3pax s ALA 884 CO 0.74 -0.92 1.32 -1.25 0.00 0.00 0.00 175.76 175.65 3pax s PRO 885 N -1.54 4.37 0.61 0.00 0.04 -1.26 -4.86 135.00 132.36 3pax s PRO 885 Ca 0.55 2.12 0.33 0.00 0.04 0.00 0.00 61.00 64.03 3pax s PRO 885 Cb -0.45 -3.16 1.94 0.00 0.04 0.00 0.00 34.50 32.88 3pax s PRO 885 CO 0.56 -0.24 2.26 0.28 0.04 0.00 0.00 177.00 179.90 3pax h VAL 886 N 3.54 0.40 0.00 -0.36 2.07 -1.95 -1.85 116.25 118.10 3pax h VAL 886 Ca -0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3pax h VAL 886 Cb 1.22 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3pax h VAL 886 CO 0.75 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.96 3pax h THR 887 N 0.00 0.29 0.00 2.57 2.02 -1.94 -3.12 112.91 112.73 3pax h THR 887 Ca 0.01 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3pax h THR 887 Cb 0.06 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3pax h THR 887 CO -0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3pax n GLY 888 N 0.09 -0.56 2.92 2.16 0.00 -0.69 -4.63 105.19 104.48 3pax n GLY 888 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3pax n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pax s TYR 889 N -2.49 0.87 0.28 1.61 1.51 -1.18 -4.89 117.35 113.06 3pax s TYR 889 Ca 0.10 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3pax s TYR 889 Cb 0.06 -0.73 0.68 0.00 -0.11 0.00 0.00 41.96 41.87 3pax s TYR 889 CO 0.14 -0.20 1.68 1.98 -1.11 0.00 0.00 175.55 178.04 3pax h MET 890 N 7.10 0.32 -0.05 -0.62 4.05 -1.87 -1.95 114.93 121.92 3pax h MET 890 Ca -0.37 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.00 3pax h MET 890 Cb 1.16 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 3pax h MET 890 CO 0.48 0.21 -0.47 1.19 0.23 0.00 0.00 176.91 178.55 3pax n PHE 891 N -5.11 0.15 -1.15 1.39 3.72 -1.26 -2.14 117.46 113.06 3pax n PHE 891 Ca 0.21 -1.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 3pax n PHE 891 Cb 0.63 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3pax n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3pax n GLY 892 N -1.11 -2.51 3.51 1.37 0.00 -0.73 -4.05 105.19 101.66 3pax n GLY 892 Ca 0.21 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 3pax n GLY 892 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3pax n LYS 893 N -0.21 3.31 0.00 1.61 5.02 -1.26 -4.74 118.16 121.89 3pax n LYS 893 Ca 0.00 -3.64 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 3pax n LYS 893 Cb 0.00 -3.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 3pax n LYS 893 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pax n GLY 894 N 4.57 6.25 3.22 0.72 0.00 -1.26 -4.64 105.19 114.05 3pax n GLY 894 Ca 0.41 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 3pax n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pax s ILE 895 N 1.03 2.40 0.02 -0.61 1.01 0.19 -4.57 121.20 120.66 3pax s ILE 895 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 3pax s ILE 895 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3pax s ILE 895 CO 0.00 0.53 0.27 -0.31 0.00 0.00 0.00 174.94 175.43 3pax s TYR 896 N 0.81 3.57 0.14 3.97 1.51 -1.26 -2.45 117.35 123.65 3pax s TYR 896 Ca -0.06 0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 3pax s TYR 896 Cb -0.15 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3pax s TYR 896 CO -0.01 0.60 0.15 -0.06 -1.11 0.00 0.00 175.55 175.13 3pax s PHE 897 N -1.32 0.65 0.15 2.71 0.08 -0.22 -4.79 117.98 115.23 3pax s PHE 897 Ca 0.28 -1.02 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 3pax s PHE 897 Cb -0.13 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.98 3pax s PHE 897 CO 0.17 -0.60 0.06 0.00 -0.10 0.00 0.00 175.22 174.75 3pax s ALA 898 N -4.01 0.96 -0.80 5.36 0.00 -0.45 -1.03 121.76 121.79 3pax s ALA 898 Ca 0.20 -1.52 0.10 0.00 0.00 0.00 0.00 51.96 50.74 3pax s ALA 898 Cb 0.06 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 3pax s ALA 898 CO 0.00 -0.49 0.57 -0.40 0.00 0.00 0.00 175.76 175.45 3pax n ASP 899 N -0.14 1.04 -4.40 0.00 5.68 -1.26 -0.73 116.55 116.74 3pax n ASP 899 Ca -0.04 -1.02 -0.35 0.00 -0.50 0.00 0.00 54.79 52.88 3pax n ASP 899 Cb 0.64 0.58 -0.13 0.00 -1.14 0.00 0.00 41.12 41.07 3pax n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3pax s MET 900 N -1.45 3.55 0.54 0.11 -1.94 -1.26 -4.81 119.30 114.04 3pax s MET 900 Ca 0.07 -0.54 0.22 0.00 -1.71 0.00 0.00 55.69 53.73 3pax s MET 900 Cb 0.08 -3.11 1.41 0.00 2.01 0.00 0.00 34.83 35.22 3pax s MET 900 CO 0.27 -0.09 2.09 -0.24 -0.01 0.00 0.00 175.02 177.04 3pax h VAL 901 N 5.52 0.79 0.03 -6.03 3.04 -1.75 -2.20 116.25 115.64 3pax h VAL 901 Ca -0.38 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 3pax h VAL 901 Cb 1.17 0.88 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 3pax h VAL 901 CO 0.60 0.00 -0.08 0.28 -1.01 0.00 0.00 177.57 177.36 3pax h SER 902 N 0.00 -0.23 -0.05 3.17 0.02 -1.92 0.28 113.55 114.82 3pax h SER 902 Ca 0.11 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3pax h SER 902 Cb 0.45 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3pax h SER 902 CO -0.00 -0.12 -0.05 0.50 -1.14 0.00 0.00 176.83 176.01 3pax h LYS 903 N -0.16 -0.07 -0.33 3.45 3.64 -1.72 -3.02 116.57 118.37 3pax h LYS 903 Ca 0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3pax h LYS 903 Cb 0.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3pax h LYS 903 CO -0.07 -0.04 -0.08 0.77 -2.27 0.00 0.00 179.45 177.76 3pax h SER 904 N -0.07 0.63 -1.03 4.20 0.02 -1.56 -3.14 113.55 112.59 3pax h SER 904 Ca 0.04 -0.37 0.26 0.00 -0.84 0.00 0.00 61.79 60.89 3pax h SER 904 Cb 0.12 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 62.39 3pax h SER 904 CO -0.09 0.85 0.65 0.00 -1.14 0.00 0.00 176.83 177.11 3pax h ALA 905 N 0.80 2.13 0.00 3.77 0.00 -0.88 0.29 119.26 125.37 3pax h ALA 905 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3pax h ALA 905 Cb 0.58 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3pax h ALA 905 CO 0.03 -0.55 -0.04 -0.91 0.00 0.00 0.00 179.25 177.78 3pax h ASN 906 N 0.44 0.00 -0.02 0.00 2.35 -1.48 -1.40 115.58 115.48 3pax h ASN 906 Ca 0.61 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.36 3pax h ASN 906 Cb 1.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.81 3pax h ASN 906 CO -0.34 0.04 0.00 -1.22 -1.65 0.00 0.00 177.43 174.26 3pax n TYR 907 N -3.74 0.02 0.16 1.19 4.01 0.10 -3.14 117.16 115.77 3pax n TYR 907 Ca -0.03 -0.01 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 3pax n TYR 907 Cb 0.14 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3pax n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3pax n HIS 909 N -3.20 -2.08 -2.65 0.00 8.25 -1.19 -4.19 115.22 110.16 3pax n HIS 909 Ca 0.02 0.87 -0.23 0.00 -0.26 0.00 0.00 57.72 58.12 3pax n HIS 909 Cb 0.68 -4.65 0.11 0.00 1.12 0.00 0.00 29.99 27.26 3pax n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3pax s THR 910 N -3.50 2.05 0.30 1.59 -4.23 -1.26 -5.04 115.64 105.54 3pax s THR 910 Ca 0.06 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 3pax s THR 910 Cb -0.01 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.48 3pax s THR 910 CO 0.77 0.00 0.84 -0.94 -0.54 0.00 0.00 174.62 174.75 3pax s SER 911 N -4.78 -0.08 0.26 3.99 1.04 -0.63 -4.96 113.70 108.54 3pax s SER 911 Ca 0.67 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 3pax s SER 911 Cb -0.04 0.72 0.41 0.00 0.10 0.00 0.00 66.02 67.20 3pax s SER 911 CO 0.45 -1.39 1.88 -0.61 0.98 0.00 0.00 173.24 174.54 3pax h GLN 912 N 2.00 1.11 0.00 4.02 -0.00 -1.98 -1.42 115.11 118.84 3pax h GLN 912 Ca -0.27 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.65 58.25 3pax h GLN 912 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 3pax h GLN 912 CO 0.34 0.74 -0.29 0.00 0.00 0.00 0.00 178.83 179.61 3pax h ALA 913 N 1.45 0.92 -2.08 3.38 0.00 -2.00 -3.37 119.26 117.57 3pax h ALA 913 Ca 0.43 -0.26 -0.48 0.00 0.00 0.00 0.00 54.91 54.59 3pax h ALA 913 Cb 0.19 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 17.60 3pax h ALA 913 CO -0.18 0.36 -0.85 0.34 0.00 0.00 0.00 179.25 178.93 3pax s ASP 914 N -6.28 0.97 0.00 0.00 2.15 -0.62 -5.04 116.67 107.85 3pax s ASP 914 Ca 0.02 -2.59 0.30 0.00 0.43 0.00 0.00 52.55 50.71 3pax s ASP 914 Cb 0.09 0.11 1.42 0.00 -0.30 0.00 0.00 42.92 44.24 3pax s ASP 914 CO 0.67 -0.17 2.01 -0.81 -0.17 0.00 0.00 175.17 176.70 3pax n PRO 915 N 3.11 0.27 -3.53 4.34 -0.04 -0.71 -1.60 135.00 136.84 3pax n PRO 915 Ca 0.24 -0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.33 3pax n PRO 915 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 3pax n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3pax s ILE 916 N -2.73 5.28 0.26 0.52 -1.09 -1.26 -0.82 121.20 121.36 3pax s ILE 916 Ca 0.23 0.40 0.10 0.00 -2.23 0.00 0.00 60.65 59.15 3pax s ILE 916 Cb 0.20 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 3pax s ILE 916 CO 0.49 0.28 -0.16 -0.83 -1.23 0.00 0.00 174.94 173.50 3pax s GLY 917 N 1.18 1.77 0.02 6.18 0.00 -0.35 -4.96 107.32 111.16 3pax s GLY 917 Ca 0.12 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 43.05 3pax s GLY 917 CO 0.07 -1.90 -0.10 1.08 0.00 0.00 0.00 173.10 172.25 3pax s LEU 918 N -3.45 3.02 -0.05 0.66 1.43 -1.26 -0.51 118.68 118.52 3pax s LEU 918 Ca 0.28 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3pax s LEU 918 Cb -0.02 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3pax s LEU 918 CO 0.12 0.27 0.18 -0.51 0.23 0.00 0.00 176.35 176.65 3pax s ILE 919 N -0.98 0.02 0.09 -0.59 2.07 -0.67 -4.06 121.20 117.08 3pax s ILE 919 Ca 0.17 -0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.24 3pax s ILE 919 Cb -0.11 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3pax s ILE 919 CO 0.07 -0.11 0.13 -0.76 -1.91 0.00 0.00 174.94 172.36 3pax s LEU 920 N -0.33 3.97 -0.21 8.50 1.43 0.47 -0.49 118.68 132.01 3pax s LEU 920 Ca -0.04 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3pax s LEU 920 Cb -0.03 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.62 3pax s LEU 920 CO 0.01 0.15 -0.13 -0.76 0.23 0.00 0.00 176.35 175.85 3pax s LEU 921 N -2.56 2.58 0.11 1.79 1.43 -0.49 -0.80 118.68 120.74 3pax s LEU 921 Ca 0.31 -0.98 0.10 0.00 -1.03 0.00 0.00 54.13 52.54 3pax s LEU 921 Cb -0.12 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3pax s LEU 921 CO 0.24 -0.12 -0.26 -0.83 0.23 0.00 0.00 176.35 175.61 3pax s GLY 922 N 1.28 1.48 -0.19 -3.19 0.00 -0.21 -1.49 107.32 105.01 3pax s GLY 922 Ca -0.02 -1.39 -0.25 0.00 0.00 0.00 0.00 44.72 43.06 3pax s GLY 922 CO -0.08 -1.35 0.82 1.85 0.00 0.00 0.00 173.10 174.33 3pax s GLU 923 N -1.87 4.26 -0.14 2.90 2.12 0.71 -1.28 118.70 125.39 3pax s GLU 923 Ca 0.12 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.43 3pax s GLU 923 Cb -0.10 -3.59 0.02 0.00 0.26 0.00 0.00 34.13 30.72 3pax s GLU 923 CO 0.05 -0.37 -0.15 0.54 -0.54 0.00 0.00 175.26 174.79 3pax s VAL 924 N 2.30 1.59 -0.97 3.70 0.11 0.92 -1.22 120.40 126.82 3pax s VAL 924 Ca 0.37 -0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 3pax s VAL 924 Cb -0.16 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 3pax s VAL 924 CO 0.11 0.46 1.77 0.00 -3.33 0.00 0.00 175.10 174.12 3pax s ALA 925 N 1.38 2.07 0.06 1.54 0.00 -0.46 -1.62 121.76 124.73 3pax s ALA 925 Ca 0.03 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.03 3pax s ALA 925 Cb -0.13 -4.56 -0.28 0.00 0.00 0.00 0.00 23.12 18.15 3pax s ALA 925 CO -0.09 -4.40 1.11 -0.07 0.00 0.00 0.00 175.76 172.32 3pax h LEU 926 N 16.01 0.77 0.00 0.00 3.38 -1.66 -3.46 115.31 130.35 3pax h LEU 926 Ca 0.15 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3pax h LEU 926 Cb 1.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3pax h LEU 926 CO 1.29 1.55 0.00 0.61 0.09 0.00 0.00 178.44 181.98 3pax n GLY 927 N 1.42 3.06 3.62 0.83 0.00 -0.77 -3.33 105.19 110.01 3pax n GLY 927 Ca -0.13 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3pax n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pax s ASN 928 N -4.00 6.76 0.06 1.61 0.01 -1.26 -4.73 114.94 113.39 3pax s ASN 928 Ca 0.00 0.75 -0.22 0.00 -0.71 0.00 0.00 52.86 52.68 3pax s ASN 928 Cb 0.00 -2.48 -0.06 0.00 0.41 0.00 0.00 41.25 39.12 3pax s ASN 928 CO 0.00 -0.81 0.66 -0.04 -1.51 0.00 0.00 177.10 175.39 3pax s MET 929 N 3.42 4.37 -0.67 -0.60 -1.94 -1.26 -0.35 119.30 122.26 3pax s MET 929 Ca 0.39 0.88 -0.20 0.00 -1.71 0.00 0.00 55.69 55.05 3pax s MET 929 Cb -0.12 -3.30 0.10 0.00 2.01 0.00 0.00 34.83 33.51 3pax s MET 929 CO 0.16 0.47 0.86 -0.47 -0.01 0.00 0.00 175.02 176.03 3pax s TYR 930 N -0.62 2.92 -0.07 -0.03 5.04 -0.16 -4.89 117.35 119.54 3pax s TYR 930 Ca 0.33 -0.90 -0.30 0.00 -2.44 0.00 0.00 57.07 53.76 3pax s TYR 930 Cb -0.20 -4.15 -0.03 0.00 0.35 0.00 0.00 41.96 37.94 3pax s TYR 930 CO 0.21 -1.44 1.13 -1.21 -1.34 0.00 0.00 175.55 172.89 3pax s GLU 931 N 3.11 4.38 0.09 4.97 2.02 -1.26 -1.95 118.70 130.06 3pax s GLU 931 Ca 0.18 1.57 0.08 0.00 0.02 0.00 0.00 54.97 56.83 3pax s GLU 931 Cb -0.18 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 3pax s GLU 931 CO 0.05 -0.40 -0.22 -0.51 0.02 0.00 0.00 175.26 174.20 3pax s LEU 932 N 2.13 2.26 -0.00 1.80 1.43 -0.07 -4.95 118.68 121.28 3pax s LEU 932 Ca 0.53 -0.65 0.14 0.00 -1.03 0.00 0.00 54.13 53.12 3pax s LEU 932 Cb -0.22 -0.98 -0.16 0.00 0.03 0.00 0.00 46.19 44.86 3pax s LEU 932 CO 0.21 0.11 0.58 0.29 0.23 0.00 0.00 176.35 177.77 3pax n LYS 933 N 1.28 2.23 -4.03 1.70 5.02 -1.26 -1.10 118.16 122.00 3pax n LYS 933 Ca -0.19 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 3pax n LYS 933 Cb 0.53 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 3pax n LYS 933 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3pax s ASN 934 N -2.41 0.13 0.71 4.39 4.22 -1.26 -1.28 114.94 119.44 3pax s ASN 934 Ca 0.05 -0.99 -0.16 0.00 -2.14 0.00 0.00 52.86 49.61 3pax s ASN 934 Cb 0.11 0.39 0.02 0.00 1.28 0.00 0.00 41.25 43.04 3pax s ASN 934 CO 0.58 -0.84 1.20 0.00 -2.04 0.00 0.00 177.10 176.00 3pax n ALA 935 N -0.17 0.53 -3.32 3.54 0.00 -1.26 -5.03 120.51 114.78 3pax n ALA 935 Ca -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.27 3pax n ALA 935 Cb 0.63 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 3pax n ALA 935 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3pax s SER 936 N -1.64 -1.10 -1.17 0.00 0.15 -0.91 -5.06 113.70 103.98 3pax s SER 936 Ca 0.78 0.99 -0.14 0.00 0.70 0.00 0.00 55.95 58.29 3pax s SER 936 Cb -0.35 2.05 -0.06 0.00 -1.71 0.00 0.00 66.02 65.94 3pax s SER 936 CO 0.45 -0.21 2.24 1.41 1.20 0.00 0.00 173.24 178.34 3pax n HIS 937 N 5.39 2.38 -1.65 3.44 8.25 -1.26 -3.92 115.22 127.85 3pax n HIS 937 Ca -0.06 -2.43 -0.47 0.00 -0.26 0.00 0.00 57.72 54.49 3pax n HIS 937 Cb 0.51 -2.11 -0.04 0.00 1.12 0.00 0.00 29.99 29.47 3pax n HIS 937 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3pax n ILE 938 N 4.92 0.21 -0.02 1.59 5.41 -1.26 -4.77 119.36 125.43 3pax n ILE 938 Ca 0.55 -0.05 -0.06 0.00 1.00 0.00 0.00 62.75 64.19 3pax n ILE 938 Cb 0.31 -1.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.88 3pax n ILE 938 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3pax n THR 939 N 2.88 0.46 -4.23 1.39 -1.04 -1.26 -4.35 114.28 108.13 3pax n THR 939 Ca 0.16 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.82 3pax n THR 939 Cb 0.27 -1.60 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 3pax n THR 939 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3pax s LYS 940 N -2.12 2.97 -0.19 -2.82 1.02 -1.26 -5.09 119.74 112.25 3pax s LYS 940 Ca -0.08 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.34 3pax s LYS 940 Cb 0.03 -2.79 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3pax s LYS 940 CO 0.10 0.66 0.12 -1.17 -0.92 0.00 0.00 175.35 174.14 3pax s LEU 941 N -1.37 4.16 0.52 3.17 2.96 -1.26 -5.06 118.68 121.79 3pax s LEU 941 Ca 0.18 0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 3pax s LEU 941 Cb -0.12 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 3pax s LEU 941 CO 0.09 0.21 1.00 -2.65 -1.32 0.00 0.00 176.35 173.67 3pax n PRO 942 N 3.31 1.16 -1.67 0.98 -0.02 -1.26 -4.86 135.00 132.64 3pax n PRO 942 Ca -0.17 0.43 -0.46 0.00 -2.02 0.00 0.00 63.50 61.28 3pax n PRO 942 Cb 0.52 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3pax n PRO 942 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3pax n LYS 943 N -0.47 2.10 -0.54 -0.52 4.76 -1.26 -1.51 118.16 120.73 3pax n LYS 943 Ca 0.11 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 3pax n LYS 943 Cb 0.44 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 3pax n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3pax n GLY 944 N 3.26 0.77 3.68 0.72 0.00 -1.26 -5.05 105.19 107.31 3pax n GLY 944 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3pax n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pax s LYS 945 N -0.46 2.90 -0.01 1.61 -0.14 -0.57 -4.57 119.74 118.51 3pax s LYS 945 Ca 0.00 -0.49 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 3pax s LYS 945 Cb 0.00 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.31 3pax s LYS 945 CO 0.00 0.67 0.23 0.72 -0.76 0.00 0.00 175.35 176.21 3pax n HIS 946 N 1.86 0.00 -3.89 3.18 8.25 0.53 -4.81 115.22 120.34 3pax n HIS 946 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 3pax n HIS 946 Cb 0.53 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 3pax n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3pax s SER 947 N -2.43 0.19 0.03 0.41 1.04 -1.21 -4.62 113.70 107.10 3pax s SER 947 Ca -0.01 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 55.34 3pax s SER 947 Cb 0.05 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 3pax s SER 947 CO 0.32 -1.52 -0.20 -0.69 0.98 0.00 0.00 173.24 172.12 3pax s VAL 948 N -2.79 2.62 -0.23 5.02 1.01 0.09 -0.99 120.40 125.13 3pax s VAL 948 Ca 0.19 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3pax s VAL 948 Cb -0.04 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.35 3pax s VAL 948 CO 0.13 0.40 0.01 -0.75 0.00 0.00 0.00 175.10 174.89 3pax s LYS 949 N -1.23 1.00 -0.17 2.72 2.20 -0.82 -1.43 119.74 122.00 3pax s LYS 949 Ca 0.13 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 3pax s LYS 949 Cb -0.10 -2.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3pax s LYS 949 CO 0.03 -0.68 1.05 0.20 -0.36 0.00 0.00 175.35 175.59 3pax s GLY 950 N 1.66 1.98 0.15 5.54 0.00 0.16 -0.90 107.32 115.92 3pax s GLY 950 Ca -0.01 0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 3pax s GLY 950 CO -0.10 2.10 0.91 1.08 0.00 0.00 0.00 173.10 177.09 3pax s LEU 951 N 2.69 4.55 0.37 0.66 1.43 -0.26 -1.78 118.68 126.34 3pax s LEU 951 Ca 0.47 1.79 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 3pax s LEU 951 Cb -0.17 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 3pax s LEU 951 CO 0.12 0.05 -0.03 -0.83 0.23 0.00 0.00 176.35 175.89 3pax s GLY 952 N -0.51 2.27 0.47 -3.19 0.00 -1.26 -4.09 107.32 101.02 3pax s GLY 952 Ca 0.43 -2.13 0.27 0.00 0.00 0.00 0.00 44.72 43.29 3pax s GLY 952 CO 0.29 -2.02 1.85 0.50 0.00 0.00 0.00 173.10 173.73 3pax h LYS 953 N 1.87 0.00 -5.39 2.90 1.57 -1.14 -3.43 116.57 112.95 3pax h LYS 953 Ca -0.43 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 57.92 3pax h LYS 953 Cb 1.25 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.33 3pax h LYS 953 CO 0.73 0.14 -0.79 0.99 -0.57 0.00 0.00 179.45 179.95 3pax s THR 954 N -3.61 1.15 0.10 -0.16 2.01 -0.84 -0.43 115.64 113.87 3pax s THR 954 Ca 0.01 -1.22 -0.25 0.00 0.31 0.00 0.00 61.69 60.54 3pax s THR 954 Cb 0.09 -1.08 0.08 0.00 0.01 0.00 0.00 72.50 71.60 3pax s THR 954 CO 0.61 -0.14 0.74 0.00 -0.69 0.00 0.00 174.62 175.14 3pax s ALA 955 N -1.13 -1.67 0.56 7.40 0.00 -0.28 -4.12 121.76 122.52 3pax s ALA 955 Ca -0.00 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 3pax s ALA 955 Cb -0.09 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3pax s ALA 955 CO 0.02 -0.77 1.31 -2.14 0.00 0.00 0.00 175.76 174.18 3pax s PRO 956 N -3.48 3.08 -0.11 0.00 0.02 -1.26 -0.53 135.00 132.72 3pax s PRO 956 Ca 0.04 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 3pax s PRO 956 Cb -0.01 -2.16 -0.06 0.00 0.02 0.00 0.00 34.50 32.28 3pax s PRO 956 CO -0.09 -1.19 2.05 0.34 -0.33 0.00 0.00 177.00 177.77 3pax s ASP 957 N -1.16 5.98 0.55 2.53 2.15 0.01 -4.74 116.67 121.99 3pax s ASP 957 Ca 0.73 2.20 0.34 0.00 0.43 0.00 0.00 52.55 56.26 3pax s ASP 957 Cb -0.37 -2.52 1.87 0.00 -0.30 0.00 0.00 42.92 41.60 3pax s ASP 957 CO 0.43 -1.49 2.05 1.55 -0.17 0.00 0.00 175.17 177.53 3pax h PRO 958 N 12.66 0.00 0.11 4.34 0.13 -1.91 -2.58 132.00 144.76 3pax h PRO 958 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3pax h PRO 958 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3pax h PRO 958 CO 0.96 0.00 -0.05 1.15 -0.23 0.00 0.00 178.00 179.82 3pax h THR 959 N 0.00 0.96 0.00 1.56 2.02 -2.00 -3.17 112.91 112.29 3pax h THR 959 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3pax h THR 959 Cb 0.14 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3pax h THR 959 CO 0.00 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3pax n ALA 960 N -2.21 2.44 -1.67 6.16 0.00 -0.97 -4.91 120.51 119.35 3pax n ALA 960 Ca -0.08 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 3pax n ALA 960 Cb 0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 3pax n ALA 960 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3pax n THR 961 N -1.01 0.69 -3.83 0.00 -1.04 -1.20 -4.47 114.28 103.42 3pax n THR 961 Ca 0.19 -0.12 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 3pax n THR 961 Cb 0.09 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 3pax n THR 961 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3pax n THR 962 N 5.36 0.00 -4.30 12.58 -1.04 -0.81 -4.91 114.28 121.16 3pax n THR 962 Ca 0.20 -2.00 -0.24 0.00 -2.04 0.00 0.00 64.05 59.97 3pax n THR 962 Cb 0.39 -0.08 -0.12 0.00 -1.82 0.00 0.00 70.33 68.70 3pax n THR 962 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3pax s THR 963 N -2.51 1.76 -0.24 12.58 2.01 -1.26 0.42 115.64 128.40 3pax s THR 963 Ca 0.30 -1.63 -0.03 0.00 0.31 0.00 0.00 61.69 60.64 3pax s THR 963 Cb -0.02 -1.64 0.10 0.00 0.01 0.00 0.00 72.50 70.96 3pax s THR 963 CO 0.19 -0.11 0.21 -0.22 -0.69 0.00 0.00 174.62 174.01 3pax s LEU 964 N -2.07 0.02 -1.44 4.42 0.20 -0.10 -4.83 118.68 114.88 3pax s LEU 964 Ca 0.09 -0.61 -0.06 0.00 0.69 0.00 0.00 54.13 54.23 3pax s LEU 964 Cb -0.09 0.22 0.01 0.00 -0.43 0.00 0.00 46.19 45.90 3pax s LEU 964 CO 0.05 -0.37 0.80 -0.67 -0.29 0.00 0.00 176.35 175.87 3pax n ASP 965 N 5.30 -6.12 0.00 3.68 2.03 -1.26 -2.22 116.55 117.97 3pax n ASP 965 Ca -0.05 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.89 3pax n ASP 965 Cb 0.47 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 3pax n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3pax n GLY 966 N -1.68 0.87 3.60 0.27 0.00 -1.26 -5.02 105.19 101.97 3pax n GLY 966 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3pax n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pax s VAL 967 N -3.45 4.21 0.14 1.61 1.01 -0.94 -4.93 120.40 118.06 3pax s VAL 967 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 3pax s VAL 967 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 3pax s VAL 967 CO 0.00 0.54 1.23 -1.61 0.00 0.00 0.00 175.10 175.26 3pax s GLU 968 N -0.24 4.45 -0.31 2.72 2.02 -0.95 -0.92 118.70 125.47 3pax s GLU 968 Ca 0.05 1.89 0.02 0.00 0.02 0.00 0.00 54.97 56.95 3pax s GLU 968 Cb -0.12 -3.26 0.08 0.00 0.10 0.00 0.00 34.13 30.92 3pax s GLU 968 CO 0.02 -0.19 -0.01 0.08 0.02 0.00 0.00 175.26 175.19 3pax s VAL 969 N 0.40 2.44 -1.18 2.63 1.01 0.17 -1.15 120.40 124.71 3pax s VAL 969 Ca 0.56 -1.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 3pax s VAL 969 Cb -0.33 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 3pax s VAL 969 CO 0.34 -0.31 2.51 -2.65 0.00 0.00 0.00 175.10 174.98 3pax n PRO 970 N 4.41 2.75 -0.02 2.72 -0.02 -1.26 -1.92 135.00 141.66 3pax n PRO 970 Ca -0.06 -1.74 0.00 0.00 -2.02 0.00 0.00 63.50 59.68 3pax n PRO 970 Cb 0.42 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.34 3pax n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3pax n LEU 971 N 3.87 0.27 -4.61 2.45 -0.00 -1.26 -4.71 117.00 113.00 3pax n LEU 971 Ca 0.59 -0.14 -0.29 0.00 -0.00 0.00 0.00 56.01 56.17 3pax n LEU 971 Cb 0.20 -0.07 0.20 0.00 -0.00 0.00 0.00 43.42 43.74 3pax n LEU 971 CO 0.74 0.06 0.60 -0.83 -0.00 0.00 0.00 177.39 177.97 3pax s GLY 972 N -0.90 1.58 0.48 1.47 0.00 -1.26 -4.59 107.32 104.10 3pax s GLY 972 Ca 0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 3pax s GLY 972 CO 0.01 0.49 1.00 -1.31 0.00 0.00 0.00 173.10 173.29 3pax s ASN 973 N -3.02 6.56 -0.57 1.64 0.01 -1.26 -4.09 114.94 114.21 3pax s ASN 973 Ca 0.66 1.77 -0.26 0.00 -0.71 0.00 0.00 52.86 54.32 3pax s ASN 973 Cb -0.21 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.82 3pax s ASN 973 CO 0.60 -0.63 2.42 0.61 -1.51 0.00 0.00 177.10 178.60 3pax n GLY 974 N -0.68 0.09 3.76 0.66 0.00 -1.24 -0.81 105.19 106.96 3pax n GLY 974 Ca 0.08 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.31 3pax n GLY 974 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pax s ILE 975 N 12.97 4.78 0.14 -0.61 1.09 0.31 -4.85 121.20 135.02 3pax s ILE 975 Ca 0.97 -0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 60.12 3pax s ILE 975 Cb -0.17 -3.05 -0.07 0.00 -1.06 0.00 0.00 42.46 38.11 3pax s ILE 975 CO 0.21 0.59 1.10 -0.94 -0.10 0.00 0.00 174.94 175.80 3pax s SER 976 N -1.02 7.25 0.37 3.58 1.04 -1.26 -1.12 113.70 122.54 3pax s SER 976 Ca 0.15 2.03 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 3pax s SER 976 Cb -0.12 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.34 3pax s SER 976 CO 0.04 -0.26 0.73 0.42 0.98 0.00 0.00 173.24 175.15 3pax s THR 977 N 0.10 4.80 -1.07 2.02 -4.23 0.43 -4.93 115.64 112.76 3pax s THR 977 Ca 0.51 0.61 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 3pax s THR 977 Cb -0.28 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 69.90 3pax s THR 977 CO 0.33 -0.42 1.14 0.61 -0.54 0.00 0.00 174.62 175.74 3pax n GLY 978 N -1.05 -0.64 3.71 3.99 0.00 -1.26 -4.69 105.19 105.25 3pax n GLY 978 Ca 0.02 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3pax n GLY 978 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3pax s ILE 979 N -2.93 4.93 -0.03 -0.61 2.07 -1.26 -4.93 121.20 118.45 3pax s ILE 979 Ca 0.03 1.82 0.04 0.00 -1.41 0.00 0.00 60.65 61.13 3pax s ILE 979 Cb 0.03 -4.21 -0.05 0.00 0.13 0.00 0.00 42.46 38.36 3pax s ILE 979 CO 0.09 0.18 0.04 -0.46 -1.91 0.00 0.00 174.94 172.88 3pax n ASN 980 N 3.95 4.03 -1.11 4.50 6.94 -1.26 -4.64 115.26 127.66 3pax n ASN 980 Ca 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.57 3pax n ASN 980 Cb 0.51 0.79 0.03 0.00 -2.36 0.00 0.00 39.78 38.74 3pax n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3pax n ASP 981 N -1.99 2.95 -4.66 0.53 5.75 -1.26 -4.88 116.55 112.98 3pax n ASP 981 Ca -0.05 -2.19 -0.32 0.00 -0.01 0.00 0.00 54.79 52.22 3pax n ASP 981 Cb 0.46 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.92 3pax n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3pax s THR 982 N -0.50 4.01 -0.06 2.12 -1.32 -1.26 -4.92 115.64 113.72 3pax s THR 982 Ca 0.07 -0.73 0.12 0.00 -1.21 0.00 0.00 61.69 59.95 3pax s THR 982 Cb 0.06 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 3pax s THR 982 CO 0.01 0.32 1.35 0.00 -2.21 0.00 0.00 174.62 174.10 3pax s LEU 984 N -6.51 4.51 0.01 0.00 1.43 -1.26 -4.97 118.68 111.89 3pax s LEU 984 Ca 0.03 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 3pax s LEU 984 Cb 0.08 -3.50 -0.25 0.00 0.03 0.00 0.00 46.19 42.56 3pax s LEU 984 CO 0.77 0.13 0.87 -0.07 0.23 0.00 0.00 176.35 178.28 3pax h LEU 985 N 3.94 0.19 -8.48 1.79 3.38 -1.89 -2.77 115.31 111.46 3pax h LEU 985 Ca -0.47 -0.28 -0.25 0.00 0.09 0.00 0.00 57.88 56.97 3pax h LEU 985 Cb 1.20 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 3pax h LEU 985 CO 0.66 1.24 -0.70 -0.31 0.09 0.00 0.00 178.44 179.41 3pax s TYR 986 N -2.63 0.97 0.59 1.13 2.02 -1.26 -1.99 117.35 116.18 3pax s TYR 986 Ca -0.06 -0.86 -0.17 0.00 -0.37 0.00 0.00 57.07 55.60 3pax s TYR 986 Cb 0.08 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 3pax s TYR 986 CO 0.83 -0.09 1.11 -0.80 -1.57 0.00 0.00 175.55 175.03 3pax s ASN 987 N -3.01 5.52 -0.01 2.29 0.01 -1.26 -4.18 114.94 114.31 3pax s ASN 987 Ca 0.12 2.06 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 3pax s ASN 987 Cb 0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.15 3pax s ASN 987 CO -0.03 -1.35 -0.02 -1.61 -1.51 0.00 0.00 177.10 172.58 3pax s GLU 988 N -3.68 0.26 -0.08 -0.60 2.02 -0.73 -4.42 118.70 111.47 3pax s GLU 988 Ca 0.69 -0.03 0.05 0.00 0.02 0.00 0.00 54.97 55.70 3pax s GLU 988 Cb -0.21 -0.32 -0.00 0.00 0.10 0.00 0.00 34.13 33.69 3pax s GLU 988 CO 0.33 -0.01 -0.24 0.71 0.02 0.00 0.00 175.26 176.07 3pax s TYR 989 N 0.35 2.45 -0.07 1.61 1.51 -0.20 -0.66 117.35 122.33 3pax s TYR 989 Ca -0.03 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 3pax s TYR 989 Cb -0.06 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3pax s TYR 989 CO -0.01 -0.32 -0.14 0.42 -1.11 0.00 0.00 175.55 174.39 3pax s ILE 990 N 0.13 1.30 0.02 2.71 1.09 -0.52 -1.06 121.20 124.88 3pax s ILE 990 Ca -0.12 -0.58 0.05 0.00 -1.10 0.00 0.00 60.65 58.90 3pax s ILE 990 Cb -0.16 -1.17 -0.03 0.00 -1.06 0.00 0.00 42.46 40.03 3pax s ILE 990 CO 0.06 0.39 -0.12 0.68 -0.10 0.00 0.00 174.94 175.86 3pax s VAL 991 N 0.61 3.25 -0.55 2.92 -7.23 -1.02 -0.73 120.40 117.64 3pax s VAL 991 Ca -0.15 -0.96 0.14 0.00 -1.81 0.00 0.00 61.98 59.20 3pax s VAL 991 Cb -0.16 -2.40 0.45 0.00 0.56 0.00 0.00 36.38 34.84 3pax s VAL 991 CO 0.05 0.37 1.37 -1.22 -0.31 0.00 0.00 175.10 175.36 3pax n TYR 992 N 1.55 0.80 -3.82 2.82 4.02 -1.26 -0.64 117.16 120.63 3pax n TYR 992 Ca -0.16 -0.70 -0.21 0.00 -0.01 0.00 0.00 57.90 56.82 3pax n TYR 992 Cb 0.52 -0.19 -0.17 0.00 -0.02 0.00 0.00 39.34 39.48 3pax n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3pax s ASP 993 N -1.46 1.27 0.58 7.72 -1.08 -1.26 -4.98 116.67 117.47 3pax s ASP 993 Ca 0.35 -0.05 0.28 0.00 -0.52 0.00 0.00 52.55 52.61 3pax s ASP 993 Cb 0.25 -0.36 1.59 0.00 -1.46 0.00 0.00 42.92 42.94 3pax s ASP 993 CO 0.13 -0.17 2.05 1.62 0.52 0.00 0.00 175.17 179.32 3pax h VAL 994 N 6.31 0.48 -0.00 1.11 3.04 -1.91 0.13 116.25 125.42 3pax h VAL 994 Ca -0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3pax h VAL 994 Cb 1.13 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3pax h VAL 994 CO 0.30 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.85 3pax n ALA 995 N -2.36 2.45 1.99 3.17 0.00 -1.26 -3.56 120.51 120.93 3pax n ALA 995 Ca 0.03 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.48 3pax n ALA 995 Cb 0.41 -1.47 0.81 0.00 0.00 0.00 0.00 19.45 19.19 3pax n ALA 995 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3pax n GLN 996 N -1.36 0.99 -4.39 0.00 6.02 0.03 -4.34 117.38 114.33 3pax n GLN 996 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.91 3pax n GLN 996 Cb 0.28 -1.43 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 3pax n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3pax s VAL 997 N -2.00 1.02 -0.23 5.09 0.11 -1.23 -1.36 120.40 121.80 3pax s VAL 997 Ca 0.41 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 3pax s VAL 997 Cb 0.19 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 34.20 3pax s VAL 997 CO 0.32 0.07 0.02 0.21 -3.33 0.00 0.00 175.10 172.39 3pax s ASN 998 N -0.87 3.39 0.31 3.54 3.04 -0.36 -4.85 114.94 119.14 3pax s ASN 998 Ca 0.02 -1.08 -0.29 0.00 0.04 0.00 0.00 52.86 51.55 3pax s ASN 998 Cb -0.07 -0.81 -0.10 0.00 -1.54 0.00 0.00 41.25 38.74 3pax s ASN 998 CO 0.01 -0.31 1.29 -0.76 -3.04 0.00 0.00 177.10 174.28 3pax s LEU 999 N 1.69 4.44 -0.00 3.21 1.43 -1.26 -0.21 118.68 127.97 3pax s LEU 999 Ca -0.00 2.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.69 3pax s LEU 999 Cb -0.18 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 3pax s LEU 999 CO -0.11 -0.49 -0.03 0.29 0.23 0.00 0.00 176.35 176.24 3pax n LYS 1000N 1.12 0.04 -4.23 1.70 4.76 -0.55 -4.71 118.16 116.29 3pax n LYS 1000Ca 0.01 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 3pax n LYS 1000Cb 0.42 -0.57 -0.11 0.00 -1.84 0.00 0.00 35.03 32.93 3pax n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3pax s TYR 1001N -2.04 1.28 -0.08 2.13 2.02 -0.90 -1.35 117.35 118.40 3pax s TYR 1001Ca -0.03 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 3pax s TYR 1001Cb 0.01 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3pax s TYR 1001CO 0.04 0.09 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.86 3pax s LEU 1002N -2.79 1.34 -0.07 -1.29 0.20 0.05 -1.40 118.68 114.72 3pax s LEU 1002Ca 0.12 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.70 3pax s LEU 1002Cb -0.01 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 45.00 3pax s LEU 1002CO 0.01 -0.05 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.18 3pax s LEU 1003N 1.17 3.07 -0.37 -0.68 1.02 0.35 -0.14 118.68 123.10 3pax s LEU 1003Ca -0.06 -0.07 -0.15 0.00 0.02 0.00 0.00 54.13 53.87 3pax s LEU 1003Cb -0.14 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.40 3pax s LEU 1003CO -0.02 0.34 0.32 -0.75 0.02 0.00 0.00 176.35 176.26 3pax s LYS 1004N -0.68 3.30 0.09 1.70 2.20 0.67 -1.67 119.74 125.35 3pax s LYS 1004Ca 0.10 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 3pax s LYS 1004Cb -0.11 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 3pax s LYS 1004CO 0.01 -0.61 0.04 -0.51 -0.36 0.00 0.00 175.35 173.92 3pax s LEU 1005N 1.85 3.64 -0.28 5.43 1.43 0.34 -0.39 118.68 130.70 3pax s LEU 1005Ca 0.08 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3pax s LEU 1005Cb -0.18 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.77 3pax s LEU 1005CO 0.11 0.17 -0.07 -0.75 0.23 0.00 0.00 176.35 176.04 3pax s LYS 1006N -2.40 2.23 -0.39 1.70 2.47 0.26 -1.22 119.74 122.40 3pax s LYS 1006Ca 0.28 -1.38 -0.29 0.00 -1.56 0.00 0.00 55.97 53.02 3pax s LYS 1006Cb -0.12 -2.99 0.02 0.00 -1.46 0.00 0.00 37.83 33.28 3pax s LYS 1006CO 0.20 -0.62 1.09 -0.06 0.16 0.00 0.00 175.35 176.13 3pax s PHE 1007N 1.12 3.01 -0.45 4.03 0.40 -0.00 -1.15 117.98 124.94 3pax s PHE 1007Ca -0.06 0.98 -0.16 0.00 -0.60 0.00 0.00 56.93 57.08 3pax s PHE 1007Cb -0.20 -3.98 0.05 0.00 0.51 0.00 0.00 43.02 39.40 3pax s PHE 1007CO -0.04 -0.97 0.40 1.21 0.70 0.00 0.00 175.22 176.52 3pax s ASN 1008N 1.99 6.15 0.08 1.36 2.47 -0.73 -4.81 114.94 121.45 3pax s ASN 1008Ca 0.46 -1.05 -0.28 0.00 0.42 0.00 0.00 52.86 52.40 3pax s ASN 1008Cb -0.10 -2.20 -0.05 0.00 -1.45 0.00 0.00 41.25 37.45 3pax s ASN 1008CO 0.22 -0.61 0.90 -0.31 -3.72 0.00 0.00 177.10 173.58 3pax s TYR 1009N 1.85 3.78 -0.17 0.43 1.51 -1.26 -0.06 117.35 123.43 3pax s TYR 1009Ca 0.07 1.69 -0.29 0.00 -1.01 0.00 0.00 57.07 57.53 3pax s TYR 1009Cb -0.21 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 38.63 3pax s TYR 1009CO 0.09 0.21 1.40 0.15 -1.11 0.00 0.00 175.55 176.29 3pax s LYS 1010N 0.05 4.12 0.00 -0.62 1.02 -1.20 -4.98 119.74 118.13 3pax s LYS 1010Ca 0.45 1.72 0.00 0.00 0.02 0.00 0.00 55.97 58.16 3pax s LYS 1010Cb -0.22 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 3pax s LYS 1010CO 0.28 -0.87 0.18 0.25 -0.92 0.00 0.00 175.35 174.27