#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 0.78 3.73 0.00 0.00 -1.26 -4.99 105.19 103.44 2j48 n GLY 628 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.18 3.58 -0.02 1.61 0.09 -1.26 -4.28 115.29 114.83 2j48 s HIS 629 Ca 0.00 1.10 0.05 0.00 -0.00 0.00 0.00 55.06 56.21 2j48 s HIS 629 Cb 0.00 -2.66 -0.03 0.00 -0.00 0.00 0.00 32.58 29.89 2j48 s HIS 629 CO 0.00 0.19 -0.15 0.42 -0.00 0.00 0.00 174.74 175.19 2j48 s ILE 630 N 0.48 2.99 -0.17 0.60 1.01 -0.92 -3.33 121.20 121.87 2j48 s ILE 630 Ca 0.32 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 2j48 s ILE 630 Cb -0.17 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2j48 s ILE 630 CO 0.15 0.52 0.06 -0.76 0.00 0.00 0.00 174.94 174.90 2j48 s LEU 631 N -0.95 3.82 -0.17 2.97 1.43 -1.10 -1.34 118.68 123.34 2j48 s LEU 631 Ca 0.13 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2j48 s LEU 631 Cb -0.11 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2j48 s LEU 631 CO 0.02 0.21 -0.13 -0.22 0.23 0.00 0.00 176.35 176.46 2j48 s LEU 632 N 0.16 2.00 -0.19 1.79 2.96 0.19 0.17 118.68 125.76 2j48 s LEU 632 Ca 0.04 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 2j48 s LEU 632 Cb -0.12 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2j48 s LEU 632 CO 0.01 -0.10 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.57 2j48 s LEU 633 N 1.43 2.39 0.28 -0.68 0.20 -0.78 0.65 118.68 122.18 2j48 s LEU 633 Ca 0.02 -0.56 -0.19 0.00 0.69 0.00 0.00 54.13 54.09 2j48 s LEU 633 Cb -0.14 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2j48 s LEU 633 CO -0.10 -0.01 0.68 -1.61 -0.29 0.00 0.00 176.35 175.03 2j48 s GLU 634 N 1.35 1.76 0.24 1.98 2.02 -1.06 -1.91 118.70 123.07 2j48 s GLU 634 Ca 0.05 -1.05 0.08 0.00 0.02 0.00 0.00 54.97 54.07 2j48 s GLU 634 Cb -0.13 0.59 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 2j48 s GLU 634 CO -0.09 -0.80 0.06 -1.21 0.02 0.00 0.00 175.26 173.24 2j48 s GLU 635 N -3.89 2.53 0.32 1.61 2.02 -1.26 -4.58 118.70 115.46 2j48 s GLU 635 Ca 0.13 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2j48 s GLU 635 Cb -0.05 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2j48 s GLU 635 CO 0.08 0.40 0.00 -1.91 0.02 0.00 0.00 175.26 173.85 2j48 n GLU 636 N -0.77 -4.96 0.24 1.61 2.13 -1.26 -4.11 120.64 113.52 2j48 n GLU 636 Ca -0.08 3.57 0.07 0.00 0.66 0.00 0.00 57.16 61.38 2j48 n GLU 636 Cb 0.58 -3.90 0.57 0.00 0.27 0.00 0.00 31.44 28.96 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 3.11 0.00 -0.71 4.31 3.04 -1.98 -2.17 116.42 122.01 2j48 h ASP 637 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 2j48 h ASP 637 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2j48 h ASP 637 CO 0.00 0.10 0.28 -0.08 -2.04 0.00 0.00 179.24 177.50 2j48 h GLU 638 N 0.00 1.07 -0.10 4.15 4.57 -1.98 1.42 114.58 123.71 2j48 h GLU 638 Ca -0.00 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 2j48 h GLU 638 Cb 0.17 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2j48 h GLU 638 CO 0.01 0.88 -0.29 0.00 -1.18 0.00 0.00 179.01 178.44 2j48 h ALA 639 N 1.13 0.17 -0.36 2.92 0.00 -1.59 -2.16 119.26 119.37 2j48 h ALA 639 Ca 0.24 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2j48 h ALA 639 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2j48 h ALA 639 CO -0.02 0.19 -0.33 0.00 0.00 0.00 0.00 179.25 179.09 2j48 h ALA 640 N 0.49 0.53 -0.33 0.00 0.00 -1.28 -2.80 119.26 115.87 2j48 h ALA 640 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2j48 h ALA 640 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2j48 h ALA 640 CO 0.06 0.59 0.15 1.15 0.00 0.00 0.00 179.25 181.20 2j48 h THR 641 N 0.66 1.16 0.07 0.00 2.02 0.19 0.13 112.91 117.14 2j48 h THR 641 Ca 0.06 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2j48 h THR 641 Cb 0.91 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2j48 h THR 641 CO 0.08 0.17 -0.16 0.58 0.37 0.00 0.00 175.52 176.56 2j48 h VAL 642 N 0.39 0.62 -0.80 3.16 2.07 -1.39 -0.17 116.25 120.12 2j48 h VAL 642 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2j48 h VAL 642 Cb 0.13 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2j48 h VAL 642 CO -0.01 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.67 2j48 h VAL 643 N -0.31 1.21 -0.79 2.57 2.07 -1.38 -2.36 116.25 117.27 2j48 h VAL 643 Ca 0.03 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2j48 h VAL 643 Cb 0.34 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2j48 h VAL 643 CO -0.11 0.21 0.50 0.00 0.02 0.00 0.00 177.57 178.19 2j48 h GLU 645 N 0.97 1.16 0.01 0.00 4.81 -0.55 2.04 114.58 123.01 2j48 h GLU 645 Ca 0.32 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2j48 h GLU 645 Cb 0.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2j48 h GLU 645 CO -0.12 0.88 -0.00 0.52 -0.73 0.00 0.00 179.01 179.56 2j48 h MET 646 N 1.15 -0.01 -0.17 1.92 2.86 -0.83 0.94 114.93 120.78 2j48 h MET 646 Ca 0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 2j48 h MET 646 Cb 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 2j48 h MET 646 CO -0.04 0.34 -0.12 -0.07 1.06 0.00 0.00 176.91 178.07 2j48 h LEU 647 N -0.36 0.41 -0.85 1.22 3.38 -0.64 -1.44 115.31 117.03 2j48 h LEU 647 Ca -0.00 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.60 2j48 h LEU 647 Cb 0.35 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 2j48 h LEU 647 CO 0.00 0.77 0.51 0.74 0.09 0.00 0.00 178.44 180.55 2j48 h THR 648 N 0.05 0.98 0.00 0.22 2.02 0.33 0.12 112.91 116.63 2j48 h THR 648 Ca 0.03 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2j48 h THR 648 Cb 0.63 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2j48 h THR 648 CO 0.03 0.16 -0.22 0.00 0.37 0.00 0.00 175.52 175.86 2j48 h ALA 649 N 1.43 1.13 0.00 6.16 0.00 -0.68 -2.30 119.26 124.99 2j48 h ALA 649 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2j48 h ALA 649 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2j48 h ALA 649 CO -0.20 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2j48 n ALA 650 N -2.27 1.94 0.00 0.00 0.00 0.41 -4.84 120.51 115.75 2j48 n ALA 650 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2j48 n ALA 650 Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.23 1.33 3.86 0.00 0.00 -0.86 -5.05 105.19 104.70 2j48 n GLY 651 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.31 3.63 -0.07 1.61 0.08 -1.18 -5.03 117.98 114.71 2j48 s PHE 652 Ca 0.00 0.74 -0.16 0.00 0.12 0.00 0.00 56.93 57.62 2j48 s PHE 652 Cb 0.00 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.29 2j48 s PHE 652 CO 0.00 0.63 0.43 0.21 -0.10 0.00 0.00 175.22 176.39 2j48 s LYS 653 N -1.43 4.16 0.16 0.44 2.20 -1.26 -3.59 119.74 120.42 2j48 s LYS 653 Ca 0.25 0.41 0.10 0.00 -0.36 0.00 0.00 55.97 56.36 2j48 s LYS 653 Cb -0.14 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2j48 s LYS 653 CO 0.13 0.40 -0.21 0.14 -0.36 0.00 0.00 175.35 175.45 2j48 s VAL 654 N -0.13 2.01 -0.11 4.02 -7.23 -1.26 -2.15 120.40 115.55 2j48 s VAL 654 Ca 0.24 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2j48 s VAL 654 Cb -0.16 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2j48 s VAL 654 CO 0.11 -0.18 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.06 2j48 s ILE 655 N -1.71 3.94 -0.18 -0.62 1.01 -0.45 -4.92 121.20 118.27 2j48 s ILE 655 Ca 0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2j48 s ILE 655 Cb -0.07 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2j48 s ILE 655 CO 0.07 0.55 0.46 0.86 0.00 0.00 0.00 174.94 176.89 2j48 s TRP 656 N -0.30 3.41 0.01 3.97 -0.00 -1.25 0.57 118.94 125.34 2j48 s TRP 656 Ca 0.05 0.75 0.06 0.00 -0.00 0.00 0.00 56.10 56.95 2j48 s TRP 656 Cb -0.12 -2.59 -0.03 0.00 -0.00 0.00 0.00 33.47 30.73 2j48 s TRP 656 CO 0.02 0.00 -0.16 -0.51 -0.00 0.00 0.00 176.95 176.31 2j48 s LEU 657 N 1.26 2.68 0.01 5.86 2.01 0.21 -4.97 118.68 125.73 2j48 s LEU 657 Ca 0.23 -0.32 0.22 0.00 0.01 0.00 0.00 54.13 54.26 2j48 s LEU 657 Cb -0.15 -1.56 -0.26 0.00 0.01 0.00 0.00 46.19 44.23 2j48 s LEU 657 CO 0.09 0.29 0.62 0.52 1.01 0.00 0.00 176.35 178.88 2j48 n VAL 658 N 1.83 0.10 -3.80 -1.59 0.31 -1.26 -2.55 118.33 111.36 2j48 n VAL 658 Ca -0.16 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.59 2j48 n VAL 658 Cb 0.52 0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 33.40 2j48 n VAL 658 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2j48 s ASP 659 N -4.49 -0.11 0.20 4.52 1.01 -1.26 -4.91 116.67 111.63 2j48 s ASP 659 Ca -0.05 -0.03 -0.08 0.00 0.71 0.00 0.00 52.55 53.10 2j48 s ASP 659 Cb 0.14 0.27 0.11 0.00 1.01 0.00 0.00 42.92 44.45 2j48 s ASP 659 CO 0.88 -0.43 1.68 1.23 0.21 0.00 0.00 175.17 178.75 2j48 h GLY 660 N 3.99 1.16 0.82 0.21 0.00 -1.93 -2.86 103.07 104.46 2j48 h GLY 660 Ca -0.30 -0.80 0.05 0.00 0.00 0.00 0.00 47.33 46.28 2j48 h GLY 660 CO 0.40 0.74 0.64 0.23 0.00 0.00 0.00 176.54 178.55 2j48 h SER 661 N 1.00 1.04 -0.61 0.19 0.87 -1.97 -1.38 113.55 112.69 2j48 h SER 661 Ca 0.19 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2j48 h SER 661 Cb 0.48 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2j48 h SER 661 CO 0.02 0.70 0.13 0.74 -0.53 0.00 0.00 176.83 177.88 2j48 h THR 662 N 1.20 1.25 -0.28 2.23 2.02 -1.94 -2.61 112.91 114.79 2j48 h THR 662 Ca 0.40 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2j48 h THR 662 Cb 0.06 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2j48 h THR 662 CO -0.14 0.36 0.10 0.00 0.37 0.00 0.00 175.52 176.21 2j48 h ALA 663 N 1.16 0.37 -0.80 6.16 0.00 -1.08 -2.14 119.26 122.93 2j48 h ALA 663 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2j48 h ALA 663 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2j48 h ALA 663 CO 0.01 -0.02 0.52 -0.07 0.00 0.00 0.00 179.25 179.68 2j48 h LEU 664 N 0.30 0.88 -0.82 0.00 3.38 -1.17 2.97 115.31 120.85 2j48 h LEU 664 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2j48 h LEU 664 Cb 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2j48 h LEU 664 CO -0.01 0.62 0.37 0.44 0.09 0.00 0.00 178.44 179.96 2j48 h ASP 665 N 1.04 1.10 0.14 -0.43 3.32 -1.32 -2.81 116.42 117.47 2j48 h ASP 665 Ca 0.30 -0.15 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 2j48 h ASP 665 Cb -0.06 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.21 2j48 h ASP 665 CO -0.09 0.95 -1.39 1.56 -1.72 0.00 0.00 179.24 178.56 2j48 h GLN 666 N 1.19 0.30 -0.88 3.56 4.20 -0.80 -3.37 115.11 119.31 2j48 h GLN 666 Ca 0.28 -0.51 0.24 0.00 0.06 0.00 0.00 58.65 58.72 2j48 h GLN 666 Cb 0.16 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 27.99 2j48 h GLN 666 CO -0.03 1.24 0.23 1.25 -0.67 0.00 0.00 178.83 180.85 2j48 h LEU 667 N -0.21 -0.02 -1.50 1.46 6.46 0.54 0.55 115.31 122.58 2j48 h LEU 667 Ca -0.28 0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2j48 h LEU 667 Cb 1.83 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 42.00 2j48 h LEU 667 CO 0.11 -0.17 0.38 0.44 -0.62 0.00 0.00 178.44 178.58 2j48 h ASP 668 N 0.20 0.55 0.14 1.25 3.32 -1.65 0.33 116.42 120.55 2j48 h ASP 668 Ca 0.55 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.34 2j48 h ASP 668 Cb 1.12 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 40.56 2j48 h ASP 668 CO -0.67 0.38 -1.04 -0.07 -1.72 0.00 0.00 179.24 176.12 2j48 h LEU 669 N 0.64 0.78 0.08 1.55 3.38 -0.13 -3.34 115.31 118.27 2j48 h LEU 669 Ca 0.24 -0.64 -0.24 0.00 0.09 0.00 0.00 57.88 57.32 2j48 h LEU 669 Cb 0.14 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2j48 h LEU 669 CO -0.07 1.45 -1.01 -0.07 0.09 0.00 0.00 178.44 178.83 2j48 h LEU 670 N 0.32 0.75 -2.51 1.67 3.38 -0.62 -3.49 115.31 114.81 2j48 h LEU 670 Ca -0.12 -0.82 -0.20 0.00 0.09 0.00 0.00 57.88 56.83 2j48 h LEU 670 Cb 1.70 -0.23 0.14 0.00 0.09 0.00 0.00 40.66 42.35 2j48 h LEU 670 CO 0.20 1.48 -0.65 0.00 0.09 0.00 0.00 178.44 179.56 2j48 n GLN 671 N -3.95 -1.92 -1.91 1.13 1.13 0.11 -4.99 117.38 106.97 2j48 n GLN 671 Ca -0.13 1.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.63 2j48 n GLN 671 Cb 0.88 -5.63 0.06 0.00 0.11 0.00 0.00 30.24 25.65 2j48 n GLN 671 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2j48 s PRO 672 N -4.17 2.66 0.09 -1.09 0.04 -1.26 -4.93 135.00 126.33 2j48 s PRO 672 Ca 0.34 0.36 0.22 0.00 0.04 0.00 0.00 61.00 61.96 2j48 s PRO 672 Cb -0.05 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 2j48 s PRO 672 CO 0.75 -1.14 0.78 -0.89 0.04 0.00 0.00 177.00 176.54 2j48 n ILE 673 N -3.05 0.31 -3.88 0.56 5.41 -1.21 -4.94 119.36 112.55 2j48 n ILE 673 Ca 0.07 -0.51 -0.12 0.00 1.00 0.00 0.00 62.75 63.20 2j48 n ILE 673 Cb 0.58 -0.14 -0.13 0.00 -0.71 0.00 0.00 39.64 39.24 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 -3.42 0.02 -0.14 1.39 0.11 -1.26 -3.31 120.40 113.78 2j48 s VAL 674 Ca -0.04 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2j48 s VAL 674 Cb 0.12 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.87 2j48 s VAL 674 CO 0.85 -0.09 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.68 2j48 s ILE 675 N -0.26 2.07 -0.19 7.04 -1.09 -0.73 -2.70 121.20 125.34 2j48 s ILE 675 Ca -0.03 -0.97 -0.06 0.00 -2.23 0.00 0.00 60.65 57.36 2j48 s ILE 675 Cb -0.02 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 39.00 2j48 s ILE 675 CO -0.00 0.55 0.02 -0.76 -1.23 0.00 0.00 174.94 173.51 2j48 s LEU 676 N 0.86 3.43 -0.03 2.97 1.43 0.13 -1.63 118.68 125.83 2j48 s LEU 676 Ca -0.06 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2j48 s LEU 676 Cb -0.15 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2j48 s LEU 676 CO -0.03 0.11 0.08 0.00 0.23 0.00 0.00 176.35 176.74 2j48 s MET 677 N 0.75 0.06 0.62 1.70 0.23 -1.04 -1.86 119.30 119.75 2j48 s MET 677 Ca 0.01 0.19 -0.17 0.00 -1.03 0.00 0.00 55.69 54.69 2j48 s MET 677 Cb -0.14 -0.08 -0.02 0.00 -1.53 0.00 0.00 34.83 33.06 2j48 s MET 677 CO 0.02 -0.09 1.14 0.00 -2.03 0.00 0.00 175.02 174.07 2j48 s ALA 678 N 0.57 2.51 -0.41 3.16 0.00 -0.81 -1.76 121.76 125.02 2j48 s ALA 678 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.75 2j48 s ALA 678 Cb -0.06 -3.37 0.43 0.00 0.00 0.00 0.00 23.12 20.12 2j48 s ALA 678 CO -0.02 -1.18 1.07 1.87 0.00 0.00 0.00 175.76 177.50 2j48 n TRP 679 N -1.98 2.81 -2.96 0.00 -0.00 0.20 -4.80 117.44 110.71 2j48 n TRP 679 Ca 0.12 -3.01 -0.40 0.00 -0.00 0.00 0.00 57.50 54.21 2j48 n TRP 679 Cb 0.51 -0.16 -0.05 0.00 -0.00 0.00 0.00 31.31 31.61 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 -3.44 4.52 0.21 5.87 0.04 -1.26 -4.64 135.00 136.30 2j48 s PRO 680 Ca 0.43 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 2j48 s PRO 680 Cb 0.41 -3.36 0.28 0.00 0.04 0.00 0.00 34.50 31.88 2j48 s PRO 680 CO -0.13 0.30 1.69 -1.35 0.04 0.00 0.00 177.00 177.56 2j48 h PRO 681 N 5.53 0.19 -1.64 0.56 0.11 -2.01 -1.73 132.00 133.00 2j48 h PRO 681 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2j48 h PRO 681 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2j48 h PRO 681 CO 0.70 0.13 0.00 -0.35 -0.21 0.00 0.00 178.00 178.27 2j48 n PRO 682 N -5.18 0.30 -2.96 1.05 -0.04 -1.26 -3.63 135.00 123.27 2j48 n PRO 682 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2j48 n PRO 682 Cb 0.32 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2j48 n PRO 682 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2j48 n ASP 683 N 0.83 -1.68 0.00 3.54 2.03 -0.65 -4.95 116.55 115.67 2j48 n ASP 683 Ca 0.00 -2.97 0.03 0.00 0.52 0.00 0.00 54.79 52.37 2j48 n ASP 683 Cb 0.14 0.76 0.16 0.00 -0.72 0.00 0.00 41.12 41.46 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 1.81 0.18 0.05 -0.67 10.64 -1.24 -2.74 117.38 125.40 2j48 n GLN 684 Ca 0.16 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.36 2j48 n GLN 684 Cb 0.57 -1.48 0.42 0.00 -0.86 0.00 0.00 30.24 28.89 2j48 n GLN 684 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2j48 h SER 685 N 0.00 0.39 -0.07 2.61 0.02 -1.92 -1.37 113.55 113.21 2j48 h SER 685 Ca 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2j48 h SER 685 Cb 0.00 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2j48 h SER 685 CO 0.00 0.36 0.06 0.00 -1.14 0.00 0.00 176.83 176.11 2j48 h LEU 687 N 0.00 0.36 -0.59 0.00 3.38 -1.50 -2.42 115.31 114.53 2j48 h LEU 687 Ca 0.03 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2j48 h LEU 687 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2j48 h LEU 687 CO -0.00 0.50 -0.17 -0.07 0.09 0.00 0.00 178.44 178.79 2j48 h LEU 688 N 0.36 0.95 -0.76 1.67 3.38 -1.08 -2.67 115.31 117.16 2j48 h LEU 688 Ca 0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2j48 h LEU 688 Cb 0.40 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2j48 h LEU 688 CO 0.02 1.10 0.47 -0.07 0.09 0.00 0.00 178.44 180.06 2j48 h LEU 689 N 0.83 0.89 -0.58 1.67 3.38 -1.37 -1.74 115.31 118.39 2j48 h LEU 689 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2j48 h LEU 689 Cb 0.72 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2j48 h LEU 689 CO 0.06 0.67 0.36 -0.07 0.09 0.00 0.00 178.44 179.55 2j48 h LEU 690 N 1.03 0.68 -1.00 1.67 3.38 -1.30 -2.39 115.31 117.38 2j48 h LEU 690 Ca 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2j48 h LEU 690 Cb -0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2j48 h LEU 690 CO -0.05 0.52 0.39 1.56 0.09 0.00 0.00 178.44 180.94 2j48 h GLN 691 N 0.78 1.10 -0.15 1.13 4.20 -1.11 -2.39 115.11 118.67 2j48 h GLN 691 Ca 0.21 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.80 2j48 h GLN 691 Cb -0.05 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 2j48 h GLN 691 CO -0.04 0.83 -0.04 1.25 -0.67 0.00 0.00 178.83 180.16 2j48 h HIS 692 N 1.10 -0.10 -0.79 2.96 2.76 -0.84 0.38 115.15 120.62 2j48 h HIS 692 Ca 0.27 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.55 2j48 h HIS 692 Cb 0.09 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.04 2j48 h HIS 692 CO 0.01 -0.08 0.44 -0.07 -1.30 0.00 0.00 177.93 176.93 2j48 h LEU 693 N -0.01 0.62 -1.01 0.26 3.38 -1.16 -0.31 115.31 117.07 2j48 h LEU 693 Ca 0.07 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2j48 h LEU 693 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2j48 h LEU 693 CO -0.16 0.35 -0.31 0.03 0.09 0.00 0.00 178.44 178.44 2j48 h ARG 694 N 0.74 0.32 -0.14 1.13 3.08 -0.80 1.14 114.38 119.85 2j48 h ARG 694 Ca 0.38 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 2j48 h ARG 694 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2j48 h ARG 694 CO -0.25 0.61 -0.22 1.49 -1.07 0.00 0.00 179.97 180.53 2j48 h GLU 695 N 0.28 0.24 0.00 0.04 4.81 0.15 -3.31 114.58 116.79 2j48 h GLU 695 Ca 0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2j48 h GLU 695 Cb 0.70 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2j48 h GLU 695 CO 0.05 0.45 -0.04 0.72 -0.73 0.00 0.00 179.01 179.47 2j48 n HIS 696 N -4.19 -0.78 0.20 0.92 8.25 -0.87 -4.75 115.22 114.00 2j48 n HIS 696 Ca -0.01 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2j48 n HIS 696 Cb 0.34 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2j48 n HIS 696 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2j48 n GLN 697 N -3.46 0.19 -0.29 -0.41 3.00 0.39 -3.37 117.38 113.43 2j48 n GLN 697 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2j48 n GLN 697 Cb 0.02 -1.09 0.11 0.00 0.00 0.00 0.00 30.24 29.28 2j48 n GLN 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j48 n ALA 698 N 0.35 3.01 0.02 -1.58 0.00 -0.80 -4.39 120.51 117.11 2j48 n ALA 698 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2j48 n ALA 698 Cb 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2j48 n ALA 698 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j48 n ASP 699 N 0.16 -0.27 0.00 0.00 9.92 -1.22 -5.09 116.55 120.05 2j48 n ASP 699 Ca 0.10 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2j48 n ASP 699 Cb 0.59 0.53 0.00 0.00 -0.64 0.00 0.00 41.12 41.60 2j48 n ASP 699 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2j48 n PRO 700 N -2.39 1.81 -3.84 -0.24 -0.02 -1.26 -4.85 135.00 124.20 2j48 n PRO 700 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 2j48 n PRO 700 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.36 2j48 n PRO 700 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2j48 s HIS 701 N 0.00 3.29 0.10 6.00 -3.43 -1.26 -5.05 115.29 114.94 2j48 s HIS 701 Ca 0.00 -2.99 -0.36 0.00 -0.80 0.00 0.00 55.06 50.91 2j48 s HIS 701 Cb 0.00 -2.99 -0.17 0.00 -1.43 0.00 0.00 32.58 28.00 2j48 s HIS 701 CO 0.00 -0.78 1.30 -2.30 -2.00 0.00 0.00 174.74 170.96 2j48 n PRO 702 N 3.21 1.10 -1.55 -0.38 -0.02 -1.26 -4.96 135.00 131.14 2j48 n PRO 702 Ca 0.07 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 2j48 n PRO 702 Cb 0.35 -2.01 0.10 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.32 1.80 -0.07 0.52 0.04 -1.26 -4.99 135.00 131.35 2j48 s PRO 703 Ca 0.83 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 2j48 s PRO 703 Cb -0.95 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 2j48 s PRO 703 CO 0.48 -1.80 1.12 -1.17 0.04 0.00 0.00 177.00 175.68 2j48 s LEU 704 N -5.86 4.27 -0.07 -3.56 0.20 -1.21 -4.85 118.68 107.61 2j48 s LEU 704 Ca 0.62 1.71 0.04 0.00 0.69 0.00 0.00 54.13 57.19 2j48 s LEU 704 Cb -0.14 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2j48 s LEU 704 CO 0.54 -0.52 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.18 2j48 s VAL 705 N 2.07 1.76 -0.06 1.68 1.01 -1.26 -1.76 120.40 123.83 2j48 s VAL 705 Ca 0.53 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2j48 s VAL 705 Cb -0.22 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2j48 s VAL 705 CO 0.21 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.82 2j48 s LEU 706 N 0.16 2.25 -0.23 3.92 1.43 -0.65 -0.76 118.68 124.81 2j48 s LEU 706 Ca -0.10 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 2j48 s LEU 706 Cb -0.15 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2j48 s LEU 706 CO 0.05 0.26 0.03 -0.36 0.23 0.00 0.00 176.35 176.56 2j48 s PHE 707 N -0.24 3.05 -0.15 0.29 0.40 -0.98 -2.50 117.98 117.85 2j48 s PHE 707 Ca -0.01 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 2j48 s PHE 707 Cb -0.13 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 2j48 s PHE 707 CO 0.03 -0.35 0.18 -0.51 0.70 0.00 0.00 175.22 175.27 2j48 s LEU 708 N 1.38 4.30 0.00 -0.37 1.43 -0.72 -1.62 118.68 123.08 2j48 s LEU 708 Ca 0.05 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2j48 s LEU 708 Cb -0.15 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2j48 s LEU 708 CO 0.02 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2j48 n GLY 709 N 2.79 0.36 2.78 -3.19 0.00 -1.11 -0.63 105.19 106.18 2j48 n GLY 709 Ca -0.17 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 2j48 n GLY 709 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j48 n GLU 710 N 0.00 0.19 -1.04 1.61 -0.58 -1.26 -4.21 120.64 115.35 2j48 n GLU 710 Ca 0.00 -1.99 -0.32 0.00 -0.42 0.00 0.00 57.16 54.43 2j48 n GLU 710 Cb 0.00 -0.43 0.13 0.00 -0.57 0.00 0.00 31.44 30.57 2j48 n GLU 710 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2j48 s PRO 711 N -4.26 1.56 0.49 3.49 0.02 -1.26 -4.97 135.00 130.08 2j48 s PRO 711 Ca 0.47 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 2j48 s PRO 711 Cb -0.03 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 2j48 s PRO 711 CO 0.31 -2.24 1.26 -1.25 -0.33 0.00 0.00 177.00 174.75 2j48 s PRO 712 N -4.35 3.51 0.19 5.54 0.04 -1.26 -4.94 135.00 133.72 2j48 s PRO 712 Ca 0.70 2.01 0.25 0.00 0.04 0.00 0.00 61.00 63.99 2j48 s PRO 712 Cb -0.25 -2.37 0.52 0.00 0.04 0.00 0.00 34.50 32.43 2j48 s PRO 712 CO 0.53 -0.83 1.52 0.28 0.04 0.00 0.00 177.00 178.54 2j48 h VAL 713 N 1.74 0.00 -1.90 -0.36 2.07 -1.99 -3.47 116.25 112.34 2j48 h VAL 713 Ca -0.50 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2j48 h VAL 713 Cb 1.27 1.35 -0.20 0.00 -1.52 0.00 0.00 31.29 32.20 2j48 h VAL 713 CO 0.59 0.00 0.28 1.51 0.02 0.00 0.00 177.57 179.97 2j48 s ASP 714 N -4.61 -0.59 0.00 0.57 1.47 -1.26 -5.02 116.67 107.22 2j48 s ASP 714 Ca 0.08 0.64 0.06 0.00 1.18 0.00 0.00 52.55 54.51 2j48 s ASP 714 Cb 0.12 0.48 0.28 0.00 -0.34 0.00 0.00 42.92 43.46 2j48 s ASP 714 CO 0.67 -0.55 1.20 -0.81 0.68 0.00 0.00 175.17 176.36 2j48 n PRO 715 N 0.86 0.01 -0.11 2.11 -0.04 -1.26 -2.61 135.00 133.95 2j48 n PRO 715 Ca -0.17 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 2j48 n PRO 715 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2j48 n PRO 715 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2j48 h LEU 716 N 0.00 1.00 0.19 1.53 3.38 -1.98 0.41 115.31 119.84 2j48 h LEU 716 Ca 0.00 -0.48 -0.31 0.00 0.09 0.00 0.00 57.88 57.19 2j48 h LEU 716 Cb 0.11 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.59 2j48 h LEU 716 CO 0.00 1.28 -1.39 0.17 0.09 0.00 0.00 178.44 178.59 2j48 h LEU 717 N 0.74 0.61 -0.70 1.67 8.10 -1.93 -2.51 115.31 121.30 2j48 h LEU 717 Ca 0.05 -0.68 -0.05 0.00 0.11 0.00 0.00 57.88 57.31 2j48 h LEU 717 Cb 1.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 41.02 2j48 h LEU 717 CO 0.10 1.53 0.23 0.74 -4.11 0.00 0.00 178.44 176.94 2j48 h THR 718 N 0.11 1.25 -0.60 0.15 2.02 -1.51 0.97 112.91 115.30 2j48 h THR 718 Ca -0.20 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 2j48 h THR 718 Cb 2.07 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2j48 h THR 718 CO 0.23 0.34 0.04 0.00 0.37 0.00 0.00 175.52 176.50 2j48 h ALA 719 N 1.11 0.95 -0.08 6.16 0.00 -0.21 -2.88 119.26 124.30 2j48 h ALA 719 Ca 0.23 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2j48 h ALA 719 Cb 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2j48 h ALA 719 CO -0.01 0.64 -0.83 0.37 0.00 0.00 0.00 179.25 179.42 2j48 h GLN 720 N 0.94 0.60 -6.94 0.00 5.75 -0.97 -3.44 115.11 111.03 2j48 h GLN 720 Ca 0.18 -0.53 -0.50 0.00 -0.15 0.00 0.00 58.65 57.64 2j48 h GLN 720 Cb 0.48 0.13 0.04 0.00 1.07 0.00 0.00 27.48 29.20 2j48 h GLN 720 CO 0.02 1.16 0.47 0.00 -2.65 0.00 0.00 178.83 177.83 2j48 s ALA 721 N -3.56 3.13 -0.21 3.38 0.00 0.33 -4.77 121.76 120.06 2j48 s ALA 721 Ca -0.08 0.89 0.19 0.00 0.00 0.00 0.00 51.96 52.95 2j48 s ALA 721 Cb 0.09 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.89 2j48 s ALA 721 CO 0.88 -0.43 1.18 0.77 0.00 0.00 0.00 175.76 178.16 2j48 h SER 722 N 2.62 0.00 -4.89 0.00 0.02 -1.20 -3.46 113.55 106.64 2j48 h SER 722 Ca -0.49 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.66 2j48 h SER 722 Cb 1.23 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 2j48 h SER 722 CO 0.62 0.31 0.63 0.00 -1.14 0.00 0.00 176.83 177.26 2j48 s ALA 723 N -3.09 -1.92 -0.02 3.77 0.00 -0.95 -4.96 121.76 114.58 2j48 s ALA 723 Ca 0.01 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 2j48 s ALA 723 Cb 0.08 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2j48 s ALA 723 CO 0.76 -0.81 0.03 0.42 0.00 0.00 0.00 175.76 176.17 2j48 s ILE 724 N -2.87 -0.05 -0.20 0.00 1.01 -1.26 -2.32 121.20 115.51 2j48 s ILE 724 Ca 0.09 0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 2j48 s ILE 724 Cb -0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 2j48 s ILE 724 CO -0.04 0.10 0.03 -0.76 0.00 0.00 0.00 174.94 174.27 2j48 s LEU 725 N 1.21 3.43 0.00 2.97 1.43 -0.64 -4.94 118.68 122.14 2j48 s LEU 725 Ca -0.07 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2j48 s LEU 725 Cb -0.13 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2j48 s LEU 725 CO -0.03 0.08 0.00 -1.20 0.23 0.00 0.00 176.35 175.43 2j48 n SER 726 N 4.16 0.00 0.00 2.29 7.64 -1.26 -2.75 113.62 123.69 2j48 n SER 726 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2j48 n SER 726 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2j48 n SER 726 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2j48 n LYS 727 N 0.00 1.41 -1.49 1.43 4.81 -1.26 -3.64 118.16 119.41 2j48 n LYS 727 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2j48 n LYS 727 Cb 0.00 -0.73 0.06 0.00 0.02 0.00 0.00 35.03 34.38 2j48 n LYS 727 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2j48 n PRO 728 N -1.38 0.65 0.04 1.64 -0.02 -1.26 -4.91 135.00 129.75 2j48 n PRO 728 Ca 0.00 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2j48 n PRO 728 Cb 0.23 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 2j48 n PRO 728 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2j48 h LEU 729 N 0.14 -0.25 -3.41 2.45 3.38 -2.03 -3.46 115.31 112.13 2j48 h LEU 729 Ca -0.47 0.04 -0.60 0.00 0.09 0.00 0.00 57.88 56.94 2j48 h LEU 729 Cb 1.36 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 2j48 h LEU 729 CO 0.48 -0.12 -1.00 0.47 0.09 0.00 0.00 178.44 178.36 2j48 n ASP 730 N -5.21 -2.79 0.07 -0.43 8.00 -1.26 -4.85 116.55 110.09 2j48 n ASP 730 Ca -0.05 -1.29 -0.04 0.00 0.71 0.00 0.00 54.79 54.12 2j48 n ASP 730 Cb 0.13 -1.72 -0.08 0.00 -0.02 0.00 0.00 41.12 39.44 2j48 n ASP 730 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2j48 h PRO 731 N -2.40 0.00 -0.11 -0.24 0.13 -2.00 -3.03 132.00 124.34 2j48 h PRO 731 Ca -0.70 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.23 2j48 h PRO 731 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2j48 h PRO 731 CO 0.57 0.71 -0.76 -0.56 -0.23 0.00 0.00 178.00 177.73 2j48 h GLN 732 N 0.00 0.59 -0.52 0.86 3.07 -2.00 -2.83 115.11 114.29 2j48 h GLN 732 Ca -0.06 -0.49 -0.11 0.00 0.09 0.00 0.00 58.65 58.08 2j48 h GLN 732 Cb 1.67 0.10 -0.02 0.00 0.08 0.00 0.00 27.48 29.32 2j48 h GLN 732 CO 0.10 1.11 -0.11 1.25 0.09 0.00 0.00 178.83 181.26 2j48 h LEU 733 N 0.40 1.00 -0.44 0.06 5.85 -1.95 -1.25 115.31 118.98 2j48 h LEU 733 Ca -0.04 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.38 2j48 h LEU 733 Cb 1.36 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2j48 h LEU 733 CO 0.14 1.12 0.14 0.25 -0.34 0.00 0.00 178.44 179.75 2j48 h LEU 734 N 0.86 0.12 -0.41 2.25 5.85 -1.47 0.65 115.31 123.16 2j48 h LEU 734 Ca 0.13 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2j48 h LEU 734 Cb 0.68 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2j48 h LEU 734 CO 0.05 0.10 0.12 0.25 -0.34 0.00 0.00 178.44 178.62 2j48 h LEU 735 N 0.30 0.61 -1.10 2.25 6.46 -1.33 -2.51 115.31 119.98 2j48 h LEU 735 Ca 0.21 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2j48 h LEU 735 Cb 0.22 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 2j48 h LEU 735 CO -0.23 0.67 0.43 0.74 -0.62 0.00 0.00 178.44 179.43 2j48 h THR 736 N 0.53 1.22 -0.71 1.05 2.02 -0.40 -2.49 112.91 114.13 2j48 h THR 736 Ca 0.13 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2j48 h THR 736 Cb 0.28 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2j48 h THR 736 CO -0.00 0.24 0.42 0.74 0.37 0.00 0.00 175.52 177.30 2j48 h THR 737 N 1.06 1.20 -0.69 3.16 2.02 0.63 -1.68 112.91 118.62 2j48 h THR 737 Ca 0.27 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 2j48 h THR 737 Cb 0.00 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 2j48 h THR 737 CO -0.05 0.21 0.22 -0.07 0.37 0.00 0.00 175.52 176.21 2j48 h LEU 738 N 0.97 0.97 -1.18 2.58 3.38 -1.04 -2.39 115.31 118.60 2j48 h LEU 738 Ca 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2j48 h LEU 738 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2j48 h LEU 738 CO -0.05 0.90 -0.04 1.56 0.09 0.00 0.00 178.44 180.90 2j48 h GLN 739 N 1.01 0.52 0.00 1.13 4.20 -1.05 -2.21 115.11 118.71 2j48 h GLN 739 Ca 0.22 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2j48 h GLN 739 Cb 0.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2j48 h GLN 739 CO -0.01 0.58 0.00 0.41 -0.67 0.00 0.00 178.83 179.14 2j48 n GLY 740 N -0.80 -0.03 0.11 3.46 0.00 -0.68 -1.13 105.19 106.13 2j48 n GLY 740 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2j48 n GLY 740 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j48 h LEU 741 N 0.00 0.00 -2.41 0.99 5.85 -1.51 -3.48 115.31 114.75 2j48 h LEU 741 Ca 0.00 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 2j48 h LEU 741 Cb 0.00 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.11 2j48 h LEU 741 CO 0.00 0.03 -0.36 0.00 -0.34 0.00 0.00 178.44 177.77 2j48 s PRO 743 N -3.59 3.92 0.00 0.00 0.02 -1.26 -4.93 135.00 129.16 2j48 s PRO 743 Ca 0.19 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2j48 s PRO 743 Cb -0.03 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.51 2j48 s PRO 743 CO 0.74 -1.14 0.00 -0.35 -0.33 0.00 0.00 177.00 175.92 2j48 n PRO 744 N 7.42 0.00 0.00 5.54 -0.04 -1.26 -5.22 135.00 141.43 2j48 n PRO 744 Ca 0.18 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2j48 n PRO 744 Cb 0.45 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 2j48 n PRO 744 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73