#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j48 n GLY 628 N 0.00 4.53 3.81 0.00 0.00 -1.26 -5.01 105.19 107.25 2j48 n GLY 628 Ca 0.00 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2j48 n GLY 628 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j48 s HIS 629 N -2.00 3.63 -0.07 1.61 0.09 -1.26 -3.84 115.29 113.45 2j48 s HIS 629 Ca 0.00 0.84 0.04 0.00 -0.00 0.00 0.00 55.06 55.94 2j48 s HIS 629 Cb 0.00 -2.28 -0.02 0.00 -0.00 0.00 0.00 32.58 30.28 2j48 s HIS 629 CO 0.00 0.52 -0.20 0.42 -0.00 0.00 0.00 174.74 175.48 2j48 s ILE 630 N -0.55 2.53 -0.17 0.60 1.01 -0.20 -2.90 121.20 121.52 2j48 s ILE 630 Ca 0.21 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2j48 s ILE 630 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2j48 s ILE 630 CO 0.10 0.57 -0.03 -0.22 0.00 0.00 0.00 174.94 175.35 2j48 s LEU 631 N -0.24 3.24 -0.09 2.97 0.20 -1.07 -2.08 118.68 121.61 2j48 s LEU 631 Ca -0.00 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.69 2j48 s LEU 631 Cb -0.13 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.85 2j48 s LEU 631 CO 0.03 0.14 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.88 2j48 s LEU 632 N 0.51 1.64 -0.33 -0.68 0.20 -0.81 0.23 118.68 119.45 2j48 s LEU 632 Ca -0.03 -0.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.37 2j48 s LEU 632 Cb -0.14 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.70 2j48 s LEU 632 CO 0.03 0.02 0.10 -0.22 -0.29 0.00 0.00 176.35 175.99 2j48 s LEU 633 N 0.87 4.18 0.09 -0.68 2.96 0.00 -2.16 118.68 123.94 2j48 s LEU 633 Ca -0.10 -0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 52.58 2j48 s LEU 633 Cb -0.15 -1.88 0.07 0.00 0.50 0.00 0.00 46.19 44.72 2j48 s LEU 633 CO 0.01 -0.28 0.64 -0.70 -1.32 0.00 0.00 176.35 174.69 2j48 s GLU 634 N 1.45 1.19 0.24 1.98 2.56 -1.06 -2.07 118.70 122.99 2j48 s GLU 634 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.73 2j48 s GLU 634 Cb -0.19 0.55 -0.04 0.00 2.00 0.00 0.00 34.13 36.46 2j48 s GLU 634 CO 0.03 -0.48 0.42 -2.00 -0.56 0.00 0.00 175.26 172.67 2j48 s GLU 635 N -2.94 3.51 0.09 4.30 2.12 -1.26 -4.44 118.70 120.07 2j48 s GLU 635 Ca -0.03 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.93 2j48 s GLU 635 Cb -0.01 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2j48 s GLU 635 CO -0.06 0.35 0.00 -1.91 -0.54 0.00 0.00 175.26 173.10 2j48 n GLU 636 N -0.98 -2.42 0.13 4.30 2.13 -1.26 -4.35 120.64 118.18 2j48 n GLU 636 Ca -0.05 2.00 0.04 0.00 0.66 0.00 0.00 57.16 59.81 2j48 n GLU 636 Cb 0.55 -1.87 0.44 0.00 0.27 0.00 0.00 31.44 30.83 2j48 n GLU 636 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2j48 h ASP 637 N 1.87 0.21 -0.63 4.31 2.03 -1.99 -2.20 116.42 120.03 2j48 h ASP 637 Ca 0.00 -0.03 -0.07 0.00 -0.73 0.00 0.00 57.03 56.20 2j48 h ASP 637 Cb 0.00 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.42 2j48 h ASP 637 CO 0.00 0.31 0.12 -0.33 -1.03 0.00 0.00 179.24 178.31 2j48 h GLU 638 N 0.23 1.04 -0.12 4.15 5.08 -1.99 0.59 114.58 123.55 2j48 h GLU 638 Ca 0.05 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2j48 h GLU 638 Cb 0.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2j48 h GLU 638 CO 0.01 0.96 -0.23 0.00 -1.00 0.00 0.00 179.01 178.75 2j48 h ALA 639 N 1.04 0.19 -0.46 3.43 0.00 -1.69 -2.61 119.26 119.15 2j48 h ALA 639 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2j48 h ALA 639 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2j48 h ALA 639 CO 0.01 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.60 2j48 h ALA 640 N 0.54 1.46 -0.43 0.00 0.00 -1.35 -2.42 119.26 117.06 2j48 h ALA 640 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2j48 h ALA 640 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2j48 h ALA 640 CO 0.05 0.42 0.19 1.15 0.00 0.00 0.00 179.25 181.06 2j48 h THR 641 N 0.66 1.19 0.00 0.00 2.02 -0.81 0.36 112.91 116.34 2j48 h THR 641 Ca 0.16 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2j48 h THR 641 Cb 0.13 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2j48 h THR 641 CO -0.02 0.21 -0.20 0.58 0.37 0.00 0.00 175.52 176.46 2j48 h VAL 642 N 0.55 0.52 -0.65 3.16 2.07 -1.04 1.56 116.25 122.42 2j48 h VAL 642 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2j48 h VAL 642 Cb 0.15 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2j48 h VAL 642 CO -0.02 0.00 0.40 0.58 0.02 0.00 0.00 177.57 178.55 2j48 h VAL 643 N -0.32 1.19 -0.04 2.57 2.07 -1.40 -2.01 116.25 118.30 2j48 h VAL 643 Ca 0.06 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2j48 h VAL 643 Cb 0.40 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2j48 h VAL 643 CO -0.19 0.19 -0.35 0.00 0.02 0.00 0.00 177.57 177.24 2j48 h GLU 645 N 0.06 0.57 -0.38 0.00 4.57 0.30 2.29 114.58 121.99 2j48 h GLU 645 Ca 0.01 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2j48 h GLU 645 Cb 0.66 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2j48 h GLU 645 CO 0.05 0.45 0.06 0.52 -1.18 0.00 0.00 179.01 178.91 2j48 h MET 646 N 0.54 0.64 -0.34 1.92 2.86 -1.32 -0.29 114.93 118.94 2j48 h MET 646 Ca 0.15 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2j48 h MET 646 Cb 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2j48 h MET 646 CO -0.02 0.70 -0.11 -0.07 1.06 0.00 0.00 176.91 178.47 2j48 h LEU 647 N 0.48 0.68 -0.84 1.22 3.38 -1.11 -2.24 115.31 116.89 2j48 h LEU 647 Ca 0.12 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2j48 h LEU 647 Cb 0.38 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2j48 h LEU 647 CO 0.01 0.91 0.50 0.74 0.09 0.00 0.00 178.44 180.69 2j48 h THR 648 N 0.46 0.96 -0.19 0.22 2.02 0.40 0.10 112.91 116.88 2j48 h THR 648 Ca 0.08 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2j48 h THR 648 Cb 0.62 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2j48 h THR 648 CO 0.04 0.16 -0.02 0.00 0.37 0.00 0.00 175.52 176.06 2j48 h ALA 649 N 1.44 1.60 0.00 6.16 0.00 -0.79 -0.23 119.26 127.44 2j48 h ALA 649 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2j48 h ALA 649 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2j48 h ALA 649 CO -0.22 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2j48 n ALA 650 N -2.49 2.04 -0.37 0.00 0.00 0.33 -4.85 120.51 115.17 2j48 n ALA 650 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2j48 n ALA 650 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2j48 n ALA 650 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j48 n GLY 651 N 0.45 0.70 3.87 0.00 0.00 -0.10 -5.06 105.19 105.05 2j48 n GLY 651 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2j48 n GLY 651 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j48 s PHE 652 N -2.75 3.49 -0.10 1.61 0.08 -1.02 -4.93 117.98 114.37 2j48 s PHE 652 Ca 0.00 0.87 -0.19 0.00 0.12 0.00 0.00 56.93 57.73 2j48 s PHE 652 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2j48 s PHE 652 CO 0.00 0.35 0.51 0.21 -0.10 0.00 0.00 175.22 176.19 2j48 s LYS 653 N -2.49 4.34 -0.06 0.44 2.20 -1.25 -3.73 119.74 119.18 2j48 s LYS 653 Ca 0.43 0.52 0.05 0.00 -0.36 0.00 0.00 55.97 56.60 2j48 s LYS 653 Cb -0.12 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2j48 s LYS 653 CO 0.21 0.18 -0.19 0.08 -0.36 0.00 0.00 175.35 175.27 2j48 s VAL 654 N 0.52 2.59 -0.18 4.02 1.01 -1.26 -1.04 120.40 126.07 2j48 s VAL 654 Ca 0.28 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2j48 s VAL 654 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2j48 s VAL 654 CO 0.12 0.57 -0.03 -0.63 0.00 0.00 0.00 175.10 175.13 2j48 s ILE 655 N -0.38 3.82 -0.36 2.22 1.01 -0.88 -5.00 121.20 121.63 2j48 s ILE 655 Ca 0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 2j48 s ILE 655 Cb -0.12 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 2j48 s ILE 655 CO 0.02 0.46 0.44 0.86 0.00 0.00 0.00 174.94 176.73 2j48 s TRP 656 N 0.69 3.19 0.04 3.97 -0.00 -1.26 -1.93 118.94 123.65 2j48 s TRP 656 Ca -0.02 0.03 0.07 0.00 -0.00 0.00 0.00 56.10 56.18 2j48 s TRP 656 Cb -0.14 -2.82 -0.03 0.00 -0.00 0.00 0.00 33.47 30.48 2j48 s TRP 656 CO 0.02 -0.51 -0.19 -0.51 -0.00 0.00 0.00 176.95 175.76 2j48 s LEU 657 N 2.21 2.58 -0.01 5.86 1.43 -0.92 -5.01 118.68 124.81 2j48 s LEU 657 Ca 0.15 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2j48 s LEU 657 Cb -0.16 -1.50 0.15 0.00 0.03 0.00 0.00 46.19 44.71 2j48 s LEU 657 CO 0.13 0.25 1.12 0.55 0.23 0.00 0.00 176.35 178.63 2j48 n VAL 658 N 1.54 1.09 -3.70 -1.59 3.14 -1.26 -2.56 118.33 114.99 2j48 n VAL 658 Ca -0.16 -1.10 -0.11 0.00 -2.96 0.00 0.00 64.34 60.01 2j48 n VAL 658 Cb 0.52 0.44 -0.12 0.00 -1.06 0.00 0.00 33.84 33.62 2j48 n VAL 658 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2j48 s ASP 659 N -1.13 -0.34 0.28 6.55 2.15 -1.26 -5.02 116.67 117.90 2j48 s ASP 659 Ca 0.12 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.84 2j48 s ASP 659 Cb 0.07 0.70 0.39 0.00 -0.30 0.00 0.00 42.92 43.79 2j48 s ASP 659 CO 0.06 -0.19 1.90 1.23 -0.17 0.00 0.00 175.17 178.01 2j48 h GLY 660 N 7.34 1.10 1.06 2.66 0.00 -1.94 -2.44 103.07 110.85 2j48 h GLY 660 Ca -0.34 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 46.52 2j48 h GLY 660 CO 0.29 0.47 0.58 1.76 0.00 0.00 0.00 176.54 179.64 2j48 h SER 661 N 1.04 0.97 -0.74 0.19 0.02 -1.96 -1.96 113.55 111.10 2j48 h SER 661 Ca 0.26 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2j48 h SER 661 Cb 0.04 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2j48 h SER 661 CO -0.04 0.68 0.24 0.74 -1.14 0.00 0.00 176.83 177.31 2j48 h THR 662 N 1.13 1.26 -0.73 -2.27 2.02 -1.87 -2.71 112.91 109.74 2j48 h THR 662 Ca 0.34 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2j48 h THR 662 Cb -0.03 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2j48 h THR 662 CO -0.09 0.35 0.40 0.00 0.37 0.00 0.00 175.52 176.55 2j48 h ALA 663 N 1.12 0.94 -0.67 6.16 0.00 -1.23 -1.93 119.26 123.65 2j48 h ALA 663 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2j48 h ALA 663 Cb 0.29 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2j48 h ALA 663 CO -0.01 0.46 0.43 -0.07 0.00 0.00 0.00 179.25 180.06 2j48 h LEU 664 N 1.01 0.72 -0.87 0.00 3.38 -1.18 3.03 115.31 121.41 2j48 h LEU 664 Ca 0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2j48 h LEU 664 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2j48 h LEU 664 CO -0.04 0.51 0.19 0.44 0.09 0.00 0.00 178.44 179.63 2j48 h ASP 665 N 0.85 0.96 0.00 -0.43 3.32 -1.16 -2.55 116.42 117.42 2j48 h ASP 665 Ca 0.26 -0.18 -0.23 0.00 0.02 0.00 0.00 57.03 56.90 2j48 h ASP 665 Cb -0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2j48 h ASP 665 CO -0.08 0.91 -1.25 1.56 -1.72 0.00 0.00 179.24 178.66 2j48 h GLN 666 N 0.99 0.00 -0.81 3.56 4.20 -0.87 -3.32 115.11 118.85 2j48 h GLN 666 Ca 0.21 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 59.12 2j48 h GLN 666 Cb 0.31 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.95 2j48 h GLN 666 CO -0.00 1.00 0.11 1.25 -0.67 0.00 0.00 178.83 180.52 2j48 h LEU 667 N -0.99 -0.18 -0.75 1.46 6.46 0.54 2.63 115.31 124.48 2j48 h LEU 667 Ca -0.34 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2j48 h LEU 667 Cb 1.31 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 41.51 2j48 h LEU 667 CO -0.20 -0.16 0.35 -0.78 -0.62 0.00 0.00 178.44 177.02 2j48 h ASP 668 N 0.16 1.00 0.32 1.25 3.58 -1.59 2.29 116.42 123.43 2j48 h ASP 668 Ca 0.47 -0.14 -0.26 0.00 0.42 0.00 0.00 57.03 57.52 2j48 h ASP 668 Cb 0.89 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.69 2j48 h ASP 668 CO -0.66 0.87 -1.09 -0.07 -2.88 0.00 0.00 179.24 175.41 2j48 h LEU 669 N 1.07 0.62 0.23 2.28 3.38 -0.41 -3.33 115.31 119.14 2j48 h LEU 669 Ca 0.26 -0.55 -0.35 0.00 0.09 0.00 0.00 57.88 57.33 2j48 h LEU 669 Cb 0.14 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.73 2j48 h LEU 669 CO -0.03 1.37 -1.60 0.25 0.09 0.00 0.00 178.44 178.52 2j48 h LEU 670 N 0.22 0.76 -2.72 1.67 5.85 0.46 -3.49 115.31 118.05 2j48 h LEU 670 Ca -0.12 -0.93 -0.13 0.00 0.84 0.00 0.00 57.88 57.54 2j48 h LEU 670 Cb 1.75 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2j48 h LEU 670 CO 0.19 1.75 -0.54 0.00 -0.34 0.00 0.00 178.44 179.50 2j48 n GLN 671 N -3.67 -1.85 -1.51 1.25 6.02 0.77 -4.97 117.38 113.42 2j48 n GLN 671 Ca -0.20 1.62 -0.30 0.00 -0.01 0.00 0.00 57.00 58.11 2j48 n GLN 671 Cb 1.10 -4.65 0.10 0.00 1.02 0.00 0.00 30.24 27.81 2j48 n GLN 671 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2j48 s PRO 672 N -3.04 1.89 -0.01 -1.09 0.02 -1.26 -4.94 135.00 126.57 2j48 s PRO 672 Ca 0.16 0.63 0.17 0.00 0.02 0.00 0.00 61.00 61.98 2j48 s PRO 672 Cb -0.03 -1.90 -0.19 0.00 0.02 0.00 0.00 34.50 32.40 2j48 s PRO 672 CO 0.80 -1.75 0.61 -0.89 -0.33 0.00 0.00 177.00 175.44 2j48 n ILE 673 N -3.52 1.15 -3.83 2.83 5.41 -1.14 -4.92 119.36 115.34 2j48 n ILE 673 Ca 0.07 -0.72 -0.12 0.00 1.00 0.00 0.00 62.75 62.98 2j48 n ILE 673 Cb 0.56 -0.64 -0.13 0.00 -0.71 0.00 0.00 39.64 38.72 2j48 n ILE 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2j48 s VAL 674 N -2.87 -0.01 -0.12 1.39 0.11 -1.25 -3.96 120.40 113.69 2j48 s VAL 674 Ca -0.05 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2j48 s VAL 674 Cb 0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 2j48 s VAL 674 CO 0.83 0.01 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.80 2j48 s ILE 675 N 0.20 2.63 -0.16 7.04 1.01 -0.88 -2.61 121.20 128.42 2j48 s ILE 675 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2j48 s ILE 675 Cb -0.02 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 2j48 s ILE 675 CO -0.01 0.54 0.01 -0.22 0.00 0.00 0.00 174.94 175.26 2j48 s LEU 676 N 0.40 3.53 -0.02 2.97 1.98 0.62 -1.86 118.68 126.30 2j48 s LEU 676 Ca -0.13 -0.02 -0.01 0.00 -2.89 0.00 0.00 54.13 51.08 2j48 s LEU 676 Cb -0.17 -1.87 0.01 0.00 0.66 0.00 0.00 46.19 44.83 2j48 s LEU 676 CO 0.06 0.18 0.05 -0.32 -1.89 0.00 0.00 176.35 174.43 2j48 s MET 677 N 0.30 0.03 0.64 1.98 -2.45 -0.76 -0.82 119.30 118.22 2j48 s MET 677 Ca -0.00 0.10 -0.16 0.00 -1.25 0.00 0.00 55.69 54.37 2j48 s MET 677 Cb -0.13 -0.04 -0.01 0.00 1.25 0.00 0.00 34.83 35.90 2j48 s MET 677 CO 0.02 -0.04 1.15 0.00 1.05 0.00 0.00 175.02 177.19 2j48 s ALA 678 N 0.28 2.46 -0.04 4.11 0.00 -0.88 -2.46 121.76 125.23 2j48 s ALA 678 Ca -0.02 0.74 0.18 0.00 0.00 0.00 0.00 51.96 52.86 2j48 s ALA 678 Cb -0.03 -3.38 -0.28 0.00 0.00 0.00 0.00 23.12 19.43 2j48 s ALA 678 CO -0.01 -1.27 0.40 1.87 0.00 0.00 0.00 175.76 176.75 2j48 n TRP 679 N -2.12 0.00 -2.93 0.00 -0.00 -1.16 -4.84 117.44 106.39 2j48 n TRP 679 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.20 2j48 n TRP 679 Cb 0.51 -0.40 -0.04 0.00 -0.00 0.00 0.00 31.31 31.37 2j48 n TRP 679 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2j48 s PRO 680 N -3.24 4.22 -0.36 5.87 0.04 -1.26 -5.01 135.00 135.25 2j48 s PRO 680 Ca -0.06 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2j48 s PRO 680 Cb 0.12 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2j48 s PRO 680 CO 0.75 -0.43 1.39 -1.25 0.04 0.00 0.00 177.00 177.50 2j48 s PRO 681 N 2.52 3.70 0.24 0.56 0.04 -1.26 -4.87 135.00 135.92 2j48 s PRO 681 Ca 0.35 1.08 0.23 0.00 0.04 0.00 0.00 61.00 62.70 2j48 s PRO 681 Cb -0.16 -3.98 0.20 0.00 0.04 0.00 0.00 34.50 30.61 2j48 s PRO 681 CO 0.09 -1.41 1.28 -1.00 0.04 0.00 0.00 177.00 176.00 2j48 h PRO 682 N 10.25 0.00 0.00 0.56 0.13 -2.00 -3.41 132.00 137.53 2j48 h PRO 682 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2j48 h PRO 682 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2j48 h PRO 682 CO 1.06 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.36 2j48 n ASP 683 N -2.62 0.00 0.00 1.44 2.03 -1.26 -5.00 116.55 111.14 2j48 n ASP 683 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2j48 n ASP 683 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2j48 n ASP 683 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j48 n GLN 684 N 0.00 0.00 -0.14 -0.67 6.02 -1.26 -4.98 117.38 116.35 2j48 n GLN 684 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2j48 n GLN 684 Cb 0.00 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.40 2j48 n GLN 684 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2j48 h SER 685 N 0.00 0.83 -0.31 1.08 0.02 -1.96 -2.68 113.55 110.53 2j48 h SER 685 Ca 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2j48 h SER 685 Cb 0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2j48 h SER 685 CO 0.00 0.88 0.12 0.00 -1.14 0.00 0.00 176.83 176.69 2j48 h LEU 687 N 0.52 0.31 -0.61 0.00 3.38 -1.85 -2.50 115.31 114.55 2j48 h LEU 687 Ca 0.13 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2j48 h LEU 687 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2j48 h LEU 687 CO -0.01 0.48 -0.36 0.17 0.09 0.00 0.00 178.44 178.80 2j48 h LEU 688 N 0.30 0.73 -0.74 1.67 8.10 -1.38 -2.68 115.31 121.31 2j48 h LEU 688 Ca 0.06 -0.31 -0.02 0.00 0.11 0.00 0.00 57.88 57.71 2j48 h LEU 688 Cb 0.43 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.42 2j48 h LEU 688 CO 0.03 1.02 0.37 0.25 -4.11 0.00 0.00 178.44 175.99 2j48 h LEU 689 N 0.58 0.95 -0.95 0.17 7.12 -1.33 -2.33 115.31 119.53 2j48 h LEU 689 Ca 0.06 -0.12 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2j48 h LEU 689 Cb 0.89 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 40.72 2j48 h LEU 689 CO 0.08 0.81 0.63 0.25 -0.13 0.00 0.00 178.44 180.07 2j48 h LEU 690 N 1.03 1.08 -0.72 2.25 7.12 -1.28 -2.14 115.31 122.65 2j48 h LEU 690 Ca 0.26 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.24 2j48 h LEU 690 Cb 0.10 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 39.92 2j48 h LEU 690 CO -0.03 0.78 0.46 -0.61 -0.13 0.00 0.00 178.44 178.90 2j48 h GLN 691 N 1.27 0.97 -0.10 1.25 4.15 -1.10 -2.21 115.11 119.34 2j48 h GLN 691 Ca 0.35 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.72 2j48 h GLN 691 Cb -0.13 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.33 2j48 h GLN 691 CO -0.08 0.67 -0.04 1.25 -1.93 0.00 0.00 178.83 178.70 2j48 h HIS 692 N 0.98 -0.08 -0.99 3.99 2.76 -0.98 -1.77 115.15 119.05 2j48 h HIS 692 Ca 0.26 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 2j48 h HIS 692 Cb -0.07 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 28.86 2j48 h HIS 692 CO -0.02 -0.06 0.63 -0.07 -1.30 0.00 0.00 177.93 177.11 2j48 h LEU 693 N -0.02 0.92 -1.41 0.26 3.38 -1.17 0.81 115.31 118.08 2j48 h LEU 693 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2j48 h LEU 693 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2j48 h LEU 693 CO -0.11 0.50 0.04 -0.09 0.09 0.00 0.00 178.44 178.87 2j48 h ARG 694 N 1.00 0.43 -0.32 1.13 2.43 -0.73 0.13 114.38 118.45 2j48 h ARG 694 Ca 0.48 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.48 2j48 h ARG 694 Cb 0.46 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2j48 h ARG 694 CO -0.25 0.43 -0.23 0.93 -1.51 0.00 0.00 179.97 179.34 2j48 h GLU 695 N 0.43 0.62 -0.01 0.20 4.39 -0.07 -2.68 114.58 117.46 2j48 h GLU 695 Ca 0.10 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2j48 h GLU 695 Cb 0.21 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2j48 h GLU 695 CO 0.00 0.81 -0.19 0.72 -1.16 0.00 0.00 179.01 179.19 2j48 n HIS 696 N -4.12 0.00 0.06 4.33 8.25 -0.87 -4.04 115.22 118.84 2j48 n HIS 696 Ca -0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2j48 n HIS 696 Cb 0.42 -0.07 0.22 0.00 1.12 0.00 0.00 29.99 31.67 2j48 n HIS 696 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j48 n GLN 697 N -0.30 0.05 -0.01 -0.41 10.64 -0.02 -0.13 117.38 127.21 2j48 n GLN 697 Ca 0.14 0.53 0.14 0.00 -1.83 0.00 0.00 57.00 55.99 2j48 n GLN 697 Cb 0.37 -1.70 0.70 0.00 -0.86 0.00 0.00 30.24 28.74 2j48 n GLN 697 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2j48 n ALA 698 N -1.58 2.62 -1.23 2.61 0.00 -1.26 -4.82 120.51 116.86 2j48 n ALA 698 Ca -0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 2j48 n ALA 698 Cb 0.04 -1.32 0.14 0.00 0.00 0.00 0.00 19.45 18.31 2j48 n ALA 698 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j48 s ASP 699 N -1.93 3.33 0.10 0.00 1.01 0.82 -4.97 116.67 115.03 2j48 s ASP 699 Ca 0.41 1.38 -0.29 0.00 0.71 0.00 0.00 52.55 54.76 2j48 s ASP 699 Cb 0.20 -2.05 -0.12 0.00 1.01 0.00 0.00 42.92 41.97 2j48 s ASP 699 CO 0.33 -2.72 1.64 -0.65 0.21 0.00 0.00 175.17 173.99 2j48 h PRO 700 N -1.60 -0.55 -2.18 8.23 0.11 -1.89 -3.36 132.00 130.76 2j48 h PRO 700 Ca -0.51 0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 2j48 h PRO 700 Cb 1.30 0.12 -0.39 0.00 0.11 0.00 0.00 31.00 32.14 2j48 h PRO 700 CO 0.56 -0.36 -0.97 1.58 -0.21 0.00 0.00 178.00 178.59 2j48 n HIS 701 N -5.39 0.31 -0.97 0.65 -0.00 -1.26 -5.13 115.22 103.43 2j48 n HIS 701 Ca -0.08 -3.63 -0.35 0.00 -0.00 0.00 0.00 57.72 53.66 2j48 n HIS 701 Cb 0.30 -0.25 0.08 0.00 -0.00 0.00 0.00 29.99 30.12 2j48 n HIS 701 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2j48 n PRO 702 N 1.69 -0.08 -2.35 1.57 -0.02 -1.26 -4.94 135.00 129.61 2j48 n PRO 702 Ca 0.24 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 2j48 n PRO 702 Cb 0.49 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 2j48 n PRO 702 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j48 s PRO 703 N -2.91 3.60 0.26 0.52 0.04 -1.26 -5.02 135.00 130.23 2j48 s PRO 703 Ca 0.54 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2j48 s PRO 703 Cb -0.25 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2j48 s PRO 703 CO 0.69 -0.60 1.01 -0.51 0.04 0.00 0.00 177.00 177.63 2j48 s LEU 704 N -3.85 4.60 -0.12 -3.56 1.02 -1.25 -4.95 118.68 110.56 2j48 s LEU 704 Ca 0.67 2.09 0.03 0.00 0.02 0.00 0.00 54.13 56.94 2j48 s LEU 704 Cb -0.17 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.42 2j48 s LEU 704 CO 0.26 0.02 -0.23 -0.69 0.02 0.00 0.00 176.35 175.74 2j48 s VAL 705 N -1.18 2.03 -0.07 -1.59 1.01 -1.26 -2.08 120.40 117.26 2j48 s VAL 705 Ca 0.43 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2j48 s VAL 705 Cb -0.28 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2j48 s VAL 705 CO 0.36 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.02 2j48 s LEU 706 N 0.57 2.20 -0.14 3.92 1.02 -0.78 0.42 118.68 125.89 2j48 s LEU 706 Ca -0.13 -0.47 -0.03 0.00 0.02 0.00 0.00 54.13 53.52 2j48 s LEU 706 Cb -0.17 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.60 2j48 s LEU 706 CO 0.04 0.24 -0.06 -0.36 0.02 0.00 0.00 176.35 176.23 2j48 s PHE 707 N -0.11 2.98 -0.11 0.29 0.40 -0.76 -1.84 117.98 118.83 2j48 s PHE 707 Ca -0.05 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 2j48 s PHE 707 Cb -0.14 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 2j48 s PHE 707 CO 0.04 -0.03 0.12 -0.48 0.70 0.00 0.00 175.22 175.58 2j48 s LEU 708 N 0.24 4.27 0.00 -0.37 0.05 -1.03 0.15 118.68 121.98 2j48 s LEU 708 Ca -0.04 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.55 2j48 s LEU 708 Cb -0.14 -2.07 0.00 0.00 -2.05 0.00 0.00 46.19 41.93 2j48 s LEU 708 CO 0.03 0.39 0.00 0.61 -0.55 0.00 0.00 176.35 176.84 2j48 n GLY 709 N 1.92 0.11 3.90 -3.48 0.00 0.13 -2.99 105.19 104.79 2j48 n GLY 709 Ca -0.19 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 2j48 n GLY 709 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j48 s GLU 710 N 0.00 3.59 -0.26 1.61 2.02 -1.26 -3.91 118.70 120.50 2j48 s GLU 710 Ca 0.00 0.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 2j48 s GLU 710 Cb 0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 2j48 s GLU 710 CO 0.00 -0.07 1.32 -1.25 0.02 0.00 0.00 175.26 175.28 2j48 s PRO 711 N -4.35 3.99 0.36 0.39 0.04 -1.26 -4.89 135.00 129.27 2j48 s PRO 711 Ca 0.47 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 2j48 s PRO 711 Cb -0.10 -3.86 -0.12 0.00 0.04 0.00 0.00 34.50 30.45 2j48 s PRO 711 CO 0.39 -1.03 0.89 -2.30 0.04 0.00 0.00 177.00 175.00 2j48 n PRO 712 N 7.16 1.14 0.19 0.56 -0.02 -1.26 -4.89 135.00 137.87 2j48 n PRO 712 Ca 0.15 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2j48 n PRO 712 Cb 0.46 -1.82 0.12 0.00 -0.02 0.00 0.00 33.50 32.25 2j48 n PRO 712 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2j48 h VAL 713 N 1.53 0.01 -3.07 -1.45 2.07 -2.01 -3.45 116.25 109.88 2j48 h VAL 713 Ca -0.41 -1.02 -0.54 0.00 0.82 0.00 0.00 66.70 65.55 2j48 h VAL 713 Cb 1.36 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2j48 h VAL 713 CO 0.57 0.01 0.68 -1.81 0.02 0.00 0.00 177.57 177.04 2j48 s ASP 714 N -5.98 6.96 0.26 0.57 1.11 -1.26 -4.92 116.67 113.41 2j48 s ASP 714 Ca 0.05 2.08 0.10 0.00 0.18 0.00 0.00 52.55 54.96 2j48 s ASP 714 Cb 0.06 -2.57 0.29 0.00 1.07 0.00 0.00 42.92 41.77 2j48 s ASP 714 CO 0.70 -0.58 1.57 1.55 1.18 0.00 0.00 175.17 179.59 2j48 h PRO 715 N 7.13 0.01 -0.13 8.23 0.13 -2.00 -2.91 132.00 142.46 2j48 h PRO 715 Ca -0.40 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 2j48 h PRO 715 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2j48 h PRO 715 CO 0.85 0.67 -0.60 1.25 -0.23 0.00 0.00 178.00 179.94 2j48 h LEU 716 N 0.01 0.50 -0.28 1.56 6.46 -1.99 -2.62 115.31 118.95 2j48 h LEU 716 Ca -0.01 -0.29 -0.20 0.00 -0.12 0.00 0.00 57.88 57.26 2j48 h LEU 716 Cb 1.17 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2j48 h LEU 716 CO 0.09 0.99 -0.74 0.25 -0.62 0.00 0.00 178.44 178.40 2j48 h LEU 717 N 0.33 0.74 -0.78 2.25 5.85 -1.96 -2.36 115.31 119.38 2j48 h LEU 717 Ca -0.00 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 2j48 h LEU 717 Cb 1.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2j48 h LEU 717 CO 0.11 1.25 0.29 0.74 -0.34 0.00 0.00 178.44 180.49 2j48 h THR 718 N 0.43 1.26 -0.57 1.05 2.02 -1.50 0.35 112.91 115.96 2j48 h THR 718 Ca -0.04 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 2j48 h THR 718 Cb 1.35 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2j48 h THR 718 CO 0.14 0.35 0.07 0.00 0.37 0.00 0.00 175.52 176.45 2j48 h ALA 719 N 1.16 1.05 0.00 6.16 0.00 -1.40 -2.50 119.26 123.73 2j48 h ALA 719 Ca 0.26 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2j48 h ALA 719 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2j48 h ALA 719 CO -0.02 0.60 -0.71 0.37 0.00 0.00 0.00 179.25 179.50 2j48 h GLN 720 N 0.87 0.00 -6.85 0.00 4.15 -0.90 -3.44 115.11 108.94 2j48 h GLN 720 Ca 0.17 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.08 2j48 h GLN 720 Cb 0.42 0.00 0.05 0.00 0.21 0.00 0.00 27.48 28.16 2j48 h GLN 720 CO 0.01 0.71 0.59 0.00 -1.93 0.00 0.00 178.83 178.21 2j48 s ALA 721 N -3.34 3.48 -0.02 3.38 0.00 0.12 -4.52 121.76 120.85 2j48 s ALA 721 Ca -0.00 1.15 0.12 0.00 0.00 0.00 0.00 51.96 53.22 2j48 s ALA 721 Cb 0.12 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 2j48 s ALA 721 CO 0.77 -0.50 1.01 0.66 0.00 0.00 0.00 175.76 177.70 2j48 h SER 722 N 3.64 0.00 -0.86 0.00 4.64 0.81 -3.47 113.55 118.32 2j48 h SER 722 Ca -0.48 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.04 2j48 h SER 722 Cb 1.22 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.05 2j48 h SER 722 CO 0.67 0.86 0.39 0.00 -0.87 0.00 0.00 176.83 177.88 2j48 s ALA 723 N -2.74 -2.89 -0.20 5.18 0.00 -0.98 -4.94 121.76 115.19 2j48 s ALA 723 Ca -0.01 1.96 -0.18 0.00 0.00 0.00 0.00 51.96 53.72 2j48 s ALA 723 Cb 0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2j48 s ALA 723 CO 0.81 -0.87 0.52 0.42 0.00 0.00 0.00 175.76 176.64 2j48 s ILE 724 N 2.11 5.10 -0.23 0.00 1.01 -1.26 -1.83 121.20 126.10 2j48 s ILE 724 Ca -0.02 0.96 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 2j48 s ILE 724 Cb -0.04 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2j48 s ILE 724 CO -0.16 0.18 0.10 -0.76 0.00 0.00 0.00 174.94 174.30 2j48 s LEU 725 N 1.65 3.79 0.00 2.97 1.43 0.39 -4.91 118.68 123.99 2j48 s LEU 725 Ca 0.24 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2j48 s LEU 725 Cb -0.15 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2j48 s LEU 725 CO 0.10 0.05 0.18 -1.20 0.23 0.00 0.00 176.35 175.71 2j48 n SER 726 N 4.35 0.00 -4.11 2.29 7.64 -1.25 0.21 113.62 122.74 2j48 n SER 726 Ca -0.16 0.18 -0.10 0.00 1.01 0.00 0.00 58.87 59.80 2j48 n SER 726 Cb 0.52 -0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2j48 n SER 726 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2j48 s LYS 727 N -0.36 1.13 0.02 1.43 1.02 -1.26 -2.88 119.74 118.84 2j48 s LYS 727 Ca 0.00 -1.43 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 2j48 s LYS 727 Cb 0.00 0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.53 2j48 s LYS 727 CO 0.00 -0.38 1.94 -2.14 -0.92 0.00 0.00 175.35 173.85 2j48 s PRO 728 N -4.07 4.11 0.00 -1.68 0.02 -1.26 -4.37 135.00 127.76 2j48 s PRO 728 Ca 0.28 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2j48 s PRO 728 Cb 0.06 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.42 2j48 s PRO 728 CO 0.06 -0.98 0.00 -0.11 -0.33 0.00 0.00 177.00 175.63 2j48 n LEU 729 N 7.64 0.00 -3.38 -5.54 0.00 -1.26 -5.04 117.00 109.42 2j48 n LEU 729 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.95 2j48 n LEU 729 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.75 2j48 n LEU 729 CO 0.67 -0.00 -0.12 -0.90 0.00 0.00 0.00 177.39 177.04 2j48 n ASP 730 N -0.67 1.86 0.00 1.96 5.68 -1.26 -4.92 116.55 119.20 2j48 n ASP 730 Ca 0.00 -3.02 0.02 0.00 -0.50 0.00 0.00 54.79 51.30 2j48 n ASP 730 Cb 0.00 -0.66 0.14 0.00 -1.14 0.00 0.00 41.12 39.46 2j48 n ASP 730 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2j48 n PRO 731 N 1.39 0.58 0.01 0.11 -0.04 -1.26 -3.19 135.00 132.61 2j48 n PRO 731 Ca 0.25 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2j48 n PRO 731 Cb 0.46 -1.13 0.04 0.00 -0.04 0.00 0.00 33.50 32.83 2j48 n PRO 731 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2j48 h GLN 732 N 0.00 0.54 -0.40 0.54 3.07 -2.00 -2.78 115.11 114.08 2j48 h GLN 732 Ca 0.00 -0.37 -0.08 0.00 0.09 0.00 0.00 58.65 58.29 2j48 h GLN 732 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2j48 h GLN 732 CO 0.00 0.98 -0.06 1.25 0.09 0.00 0.00 178.83 181.10 2j48 h LEU 733 N 0.40 0.75 -0.16 0.06 5.85 -1.98 -0.96 115.31 119.27 2j48 h LEU 733 Ca -0.01 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2j48 h LEU 733 Cb 1.17 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2j48 h LEU 733 CO 0.11 0.91 -0.05 0.25 -0.34 0.00 0.00 178.44 179.33 2j48 h LEU 734 N 0.57 -0.17 -1.13 2.25 5.85 -1.76 -0.87 115.31 120.05 2j48 h LEU 734 Ca 0.11 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2j48 h LEU 734 Cb 0.56 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2j48 h LEU 734 CO 0.03 -0.06 0.27 -0.07 -0.34 0.00 0.00 178.44 178.27 2j48 h LEU 735 N -0.02 0.80 -0.98 2.25 3.38 -1.42 -2.05 115.31 117.28 2j48 h LEU 735 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2j48 h LEU 735 Cb 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2j48 h LEU 735 CO -0.17 0.70 0.64 0.74 0.09 0.00 0.00 178.44 180.44 2j48 h THR 736 N 0.88 1.19 -0.23 0.22 2.02 -0.22 0.18 112.91 116.94 2j48 h THR 736 Ca 0.21 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2j48 h THR 736 Cb 0.13 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 2j48 h THR 736 CO -0.02 0.23 0.13 0.74 0.37 0.00 0.00 175.52 176.97 2j48 h THR 737 N 1.26 1.10 -0.30 3.16 2.02 -0.47 0.66 112.91 120.34 2j48 h THR 737 Ca 0.38 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2j48 h THR 737 Cb -0.04 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2j48 h THR 737 CO -0.11 0.10 -0.00 -0.07 0.37 0.00 0.00 175.52 175.80 2j48 h LEU 738 N 0.28 0.52 -1.49 2.58 4.07 -1.19 -2.83 115.31 117.25 2j48 h LEU 738 Ca 0.08 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 2j48 h LEU 738 Cb 0.04 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2j48 h LEU 738 CO -0.01 0.71 -0.26 1.56 -1.08 0.00 0.00 178.44 179.35 2j48 h GLN 739 N 0.33 0.00 -1.06 1.13 4.20 -0.47 -2.96 115.11 116.28 2j48 h GLN 739 Ca 0.08 0.00 0.28 0.00 0.06 0.00 0.00 58.65 59.07 2j48 h GLN 739 Cb 0.44 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.12 2j48 h GLN 739 CO 0.02 0.26 0.67 0.78 -0.67 0.00 0.00 178.83 179.89 2j48 h GLY 740 N 1.01 1.33 1.41 3.46 0.00 0.61 0.23 103.07 111.12 2j48 h GLY 740 Ca -0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 47.33 46.81 2j48 h GLY 740 CO 0.03 -0.18 -1.37 1.41 0.00 0.00 0.00 176.54 176.44 2j48 h LEU 741 N 0.39 0.68 -3.23 3.11 3.38 -1.64 -3.48 115.31 114.52 2j48 h LEU 741 Ca 0.62 -0.72 -0.38 0.00 0.09 0.00 0.00 57.88 57.49 2j48 h LEU 741 Cb 1.56 -0.22 0.05 0.00 0.09 0.00 0.00 40.66 42.14 2j48 h LEU 741 CO -0.34 1.56 -0.81 0.00 0.09 0.00 0.00 178.44 178.94 2j48 s PRO 743 N -5.30 4.04 0.00 0.00 0.04 -1.26 -4.90 135.00 127.62 2j48 s PRO 743 Ca 0.29 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.58 2j48 s PRO 743 Cb -0.11 -3.74 0.99 0.00 0.04 0.00 0.00 34.50 31.69 2j48 s PRO 743 CO 0.86 -0.86 1.71 -0.35 0.04 0.00 0.00 177.00 178.39 2j48 n PRO 744 N 6.75 1.03 0.00 0.56 -0.04 -1.26 -4.94 135.00 137.09 2j48 n PRO 744 Ca 0.10 -0.53 0.15 0.00 -0.04 0.00 0.00 63.50 63.18 2j48 n PRO 744 Cb 0.47 -1.49 0.69 0.00 -0.04 0.00 0.00 33.50 33.13 2j48 n PRO 744 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75