#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgj n LYS 609 N 0.00 0.13 -2.79 -1.46 3.00 -1.26 -4.76 118.16 111.02 1kgj n LYS 609 Ca 0.00 0.11 -0.43 0.00 -0.00 0.00 0.00 58.31 57.99 1kgj n LYS 609 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 35.03 33.34 1kgj n LYS 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kgj h PRO 611 N 8.84 -0.26 -5.19 0.00 0.11 -1.86 -3.44 132.00 130.20 1kgj h PRO 611 Ca -0.24 0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.26 1kgj h PRO 611 Cb 1.07 0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.06 1kgj h PRO 611 CO 1.02 0.13 -0.60 -1.17 -0.21 0.00 0.00 178.00 177.17 1kgj s LEU 612 N -9.07 3.62 -0.04 2.35 2.96 -1.26 0.64 118.68 117.88 1kgj s LEU 612 Ca -0.12 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1kgj s LEU 612 Cb 0.01 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1kgj s LEU 612 CO 0.46 0.11 0.12 -0.04 -1.32 0.00 0.00 176.35 175.68 1kgj s MET 613 N 0.72 0.18 -0.06 1.98 -1.94 -0.35 -4.16 119.30 115.68 1kgj s MET 613 Ca 0.03 0.08 0.06 0.00 -1.71 0.00 0.00 55.69 54.14 1kgj s MET 613 Cb -0.14 0.08 -0.01 0.00 2.01 0.00 0.00 34.83 36.78 1kgj s MET 613 CO 0.02 -0.03 -0.23 0.08 -0.01 0.00 0.00 175.02 174.85 1kgj s VAL 614 N -0.15 1.94 -0.13 -6.03 1.01 -1.25 -1.43 120.40 114.36 1kgj s VAL 614 Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1kgj s VAL 614 Cb -0.02 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1kgj s VAL 614 CO 0.00 0.54 -0.15 -0.75 0.00 0.00 0.00 175.10 174.74 1kgj s LYS 615 N -0.06 2.34 -0.06 2.72 2.47 -0.19 -1.09 119.74 125.88 1kgj s LYS 615 Ca -0.06 -0.59 0.04 0.00 -1.56 0.00 0.00 55.97 53.81 1kgj s LYS 615 Cb -0.14 -2.07 -0.02 0.00 -1.46 0.00 0.00 37.83 34.14 1kgj s LYS 615 CO 0.04 -0.16 -0.18 0.08 0.16 0.00 0.00 175.35 175.29 1kgj s VAL 616 N 1.26 2.72 0.02 4.02 1.01 -0.56 -0.44 120.40 128.43 1kgj s VAL 616 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1kgj s VAL 616 Cb -0.14 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1kgj s VAL 616 CO -0.07 0.58 -0.15 -0.76 0.00 0.00 0.00 175.10 174.70 1kgj s LEU 617 N -0.47 2.12 -0.27 3.92 1.43 0.17 -1.40 118.68 124.18 1kgj s LEU 617 Ca 0.06 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1kgj s LEU 617 Cb -0.12 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1kgj s LEU 617 CO 0.01 0.10 0.31 -0.62 0.23 0.00 0.00 176.35 176.38 1kgj s ASP 618 N -0.84 6.19 0.08 2.29 -1.08 -0.22 0.23 116.67 123.31 1kgj s ASP 618 Ca 0.04 0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.52 1kgj s ASP 618 Cb -0.07 -2.18 0.46 0.00 -1.46 0.00 0.00 42.92 39.67 1kgj s ASP 618 CO 0.01 -0.12 1.40 0.00 0.52 0.00 0.00 175.17 176.97 1kgj n ALA 619 N 5.12 3.06 -0.09 3.66 0.00 -0.07 -1.69 120.51 130.51 1kgj n ALA 619 Ca -0.10 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1kgj n ALA 619 Cb 0.51 -1.18 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 1kgj n ALA 619 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kgj h VAL 620 N 0.00 1.15 0.00 0.00 2.07 -1.94 -3.37 116.25 114.16 1kgj h VAL 620 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1kgj h VAL 620 Cb 0.65 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1kgj h VAL 620 CO 0.00 0.39 -0.19 -0.09 0.02 0.00 0.00 177.57 177.70 1kgj h ARG 621 N -1.00 0.00 -4.60 1.57 2.43 -1.93 -3.48 114.38 107.37 1kgj h ARG 621 Ca -0.18 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.72 1kgj h ARG 621 Cb 1.09 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.75 1kgj h ARG 621 CO -0.11 0.00 -0.53 0.41 -1.51 0.00 0.00 179.97 178.23 1kgj n GLY 622 N 1.20 -0.15 3.50 2.80 0.00 -0.68 -5.02 105.19 106.84 1kgj n GLY 622 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1kgj n GLY 622 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kgj s SER 623 N -3.57 -0.17 0.44 1.61 1.04 -1.08 -5.02 113.70 106.94 1kgj s SER 623 Ca 0.24 -0.63 -0.24 0.00 0.48 0.00 0.00 55.95 55.79 1kgj s SER 623 Cb -0.11 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.47 1kgj s SER 623 CO 0.53 -1.04 1.14 -2.65 0.98 0.00 0.00 173.24 172.20 1kgj n PRO 624 N -0.32 1.59 -2.87 4.02 -0.02 -1.26 -1.05 135.00 135.08 1kgj n PRO 624 Ca -0.08 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1kgj n PRO 624 Cb 0.62 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1kgj n PRO 624 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kgj s ALA 625 N -1.25 3.23 0.31 3.55 0.00 -0.49 -4.54 121.76 122.56 1kgj s ALA 625 Ca 0.63 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1kgj s ALA 625 Cb -0.52 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 18.93 1kgj s ALA 625 CO 0.56 -2.14 0.58 0.08 0.00 0.00 0.00 175.76 174.84 1kgj s VAL 626 N 3.67 5.01 -1.35 0.00 1.01 -1.26 -4.43 120.40 123.05 1kgj s VAL 626 Ca 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1kgj s VAL 626 Cb -0.12 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1kgj s VAL 626 CO 0.23 -0.39 0.27 0.47 0.00 0.00 0.00 175.10 175.67 1kgj n ASP 627 N -1.13 -4.72 -4.57 3.32 9.92 -0.51 -4.93 116.55 113.93 1kgj n ASP 627 Ca -0.02 -0.10 -0.42 0.00 -0.53 0.00 0.00 54.79 53.73 1kgj n ASP 627 Cb 0.54 -3.91 -0.07 0.00 -0.64 0.00 0.00 41.12 37.04 1kgj n ASP 627 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1kgj s VAL 628 N -2.90 4.89 0.23 2.53 1.01 -1.26 -4.80 120.40 120.10 1kgj s VAL 628 Ca 0.17 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1kgj s VAL 628 Cb -0.08 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1kgj s VAL 628 CO 0.21 -0.29 1.38 0.00 0.00 0.00 0.00 175.10 176.39 1kgj s ALA 629 N 2.71 3.58 -0.05 5.51 0.00 -1.26 -1.03 121.76 131.21 1kgj s ALA 629 Ca 0.25 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.44 1kgj s ALA 629 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1kgj s ALA 629 CO 0.14 -0.64 -0.06 0.08 0.00 0.00 0.00 175.76 175.28 1kgj s VAL 630 N 0.00 0.67 -0.11 0.00 1.01 0.23 -1.92 120.40 120.29 1kgj s VAL 630 Ca 0.58 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1kgj s VAL 630 Cb -0.39 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1kgj s VAL 630 CO 0.41 0.26 -0.14 -0.54 0.00 0.00 0.00 175.10 175.09 1kgj s LYS 631 N 0.97 2.10 -0.15 2.72 1.02 -0.76 -0.57 119.74 125.08 1kgj s LYS 631 Ca -0.10 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.33 1kgj s LYS 631 Cb -0.14 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1kgj s LYS 631 CO 0.00 -0.08 0.02 0.08 -0.92 0.00 0.00 175.35 174.45 1kgj s VAL 632 N 1.05 4.46 0.16 3.17 1.01 0.13 -1.54 120.40 128.86 1kgj s VAL 632 Ca -0.06 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.87 1kgj s VAL 632 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1kgj s VAL 632 CO -0.02 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 1kgj s PHE 633 N -0.03 2.40 0.03 5.22 0.40 0.12 0.51 117.98 126.63 1kgj s PHE 633 Ca 0.04 -0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1kgj s PHE 633 Cb -0.13 -1.22 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1kgj s PHE 633 CO 0.02 0.45 -0.26 0.21 0.70 0.00 0.00 175.22 176.33 1kgj s LYS 634 N -2.48 1.85 -0.16 0.44 2.20 -0.56 -1.64 119.74 119.39 1kgj s LYS 634 Ca 0.19 -1.07 -0.24 0.00 -0.36 0.00 0.00 55.97 54.50 1kgj s LYS 634 Cb -0.09 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1kgj s LYS 634 CO 0.10 0.52 0.76 0.21 -0.36 0.00 0.00 175.35 176.57 1kgj s LYS 635 N -1.10 4.29 0.48 4.03 2.20 -0.86 -0.91 119.74 127.87 1kgj s LYS 635 Ca 0.11 0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 56.48 1kgj s LYS 635 Cb -0.10 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 1kgj s LYS 635 CO 0.01 -0.25 0.88 0.95 -0.36 0.00 0.00 175.35 176.59 1kgj s THR 636 N 1.90 4.69 0.59 3.43 -4.23 -0.03 -4.72 115.64 117.27 1kgj s THR 636 Ca 0.35 0.84 0.29 0.00 -1.18 0.00 0.00 61.69 61.99 1kgj s THR 636 Cb -0.16 -3.76 0.36 0.00 1.34 0.00 0.00 72.50 70.28 1kgj s THR 636 CO 0.13 -0.69 2.10 0.00 -0.54 0.00 0.00 174.62 175.62 1kgj h ALA 637 N 0.85 1.79 -0.02 3.99 0.00 -1.97 0.96 119.26 124.87 1kgj h ALA 637 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1kgj h ALA 637 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1kgj h ALA 637 CO 0.63 -0.29 -0.14 0.22 0.00 0.00 0.00 179.25 179.67 1kgj h ASP 638 N 0.00 0.02 0.00 0.00 1.82 -2.02 -3.46 116.42 112.78 1kgj h ASP 638 Ca 0.08 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1kgj h ASP 638 Cb 0.48 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1kgj h ASP 638 CO -0.00 0.17 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 1kgj n GLY 639 N -1.11 1.09 3.37 -0.78 0.00 0.33 -5.10 105.19 102.99 1kgj n GLY 639 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1kgj n GLY 639 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kgj s SER 640 N -2.00 3.14 -0.47 1.61 1.04 -1.24 -4.88 113.70 110.90 1kgj s SER 640 Ca 0.00 -0.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.36 1kgj s SER 640 Cb 0.00 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1kgj s SER 640 CO 0.00 0.12 1.12 0.26 0.98 0.00 0.00 173.24 175.72 1kgj s TRP 641 N -1.36 2.83 -0.14 5.02 0.52 -1.26 -0.85 118.94 123.69 1kgj s TRP 641 Ca 0.15 0.71 -0.13 0.00 0.02 0.00 0.00 56.10 56.86 1kgj s TRP 641 Cb -0.09 -4.39 -0.05 0.00 -1.15 0.00 0.00 33.47 27.80 1kgj s TRP 641 CO 0.07 -1.25 0.27 -2.00 0.02 0.00 0.00 176.95 174.06 1kgj s GLU 642 N 4.39 4.11 -0.26 4.98 2.12 -0.08 -4.90 118.70 129.06 1kgj s GLU 642 Ca 0.47 0.06 -0.38 0.00 0.36 0.00 0.00 54.97 55.48 1kgj s GLU 642 Cb -0.07 -3.37 -0.14 0.00 0.26 0.00 0.00 34.13 30.80 1kgj s GLU 642 CO 0.31 0.36 1.85 -2.30 -0.54 0.00 0.00 175.26 174.94 1kgj n PRO 643 N 3.19 1.30 -0.12 4.30 -0.02 -1.26 -1.50 135.00 140.89 1kgj n PRO 643 Ca -0.14 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1kgj n PRO 643 Cb 0.52 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1kgj n PRO 643 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1kgj n PHE 644 N 6.37 0.00 -3.82 6.00 7.35 0.14 -4.81 117.46 128.69 1kgj n PHE 644 Ca 0.29 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.89 1kgj n PHE 644 Cb 0.17 -0.89 -0.04 0.00 0.35 0.00 0.00 39.48 39.07 1kgj n PHE 644 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kgj s ALA 645 N -2.46 -0.74 -0.11 3.13 0.00 0.18 -4.95 121.76 116.82 1kgj s ALA 645 Ca -0.32 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1kgj s ALA 645 Cb 0.10 0.89 0.09 0.00 0.00 0.00 0.00 23.12 24.21 1kgj s ALA 645 CO 0.49 -0.82 0.82 0.45 0.00 0.00 0.00 175.76 176.70 1kgj s SER 646 N -2.91 -0.54 0.00 0.00 0.15 -1.26 0.22 113.70 109.35 1kgj s SER 646 Ca 0.13 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1kgj s SER 646 Cb -0.01 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1kgj s SER 646 CO 0.01 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1kgj n GLY 647 N 0.93 -1.91 3.05 9.45 0.00 0.27 -5.00 105.19 111.98 1kgj n GLY 647 Ca -0.15 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1kgj n GLY 647 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kgj s LYS 648 N -1.83 0.63 0.16 1.61 -2.85 -1.26 0.77 119.74 116.98 1kgj s LYS 648 Ca 0.00 -0.57 -0.34 0.00 -1.00 0.00 0.00 55.97 54.06 1kgj s LYS 648 Cb 0.00 -0.54 -0.14 0.00 -2.06 0.00 0.00 37.83 35.09 1kgj s LYS 648 CO 0.00 0.13 1.59 0.25 0.10 0.00 0.00 175.35 177.42 1kgj n THR 649 N 2.09 0.00 -0.53 3.79 -2.24 -0.20 -4.84 114.28 112.35 1kgj n THR 649 Ca -0.18 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1kgj n THR 649 Cb 0.56 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1kgj n THR 649 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kgj n ALA 650 N 3.46 0.00 -0.24 6.98 0.00 -0.66 -1.43 120.51 128.63 1kgj n ALA 650 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1kgj n ALA 650 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 1kgj n ALA 650 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kgj h GLU 651 N 0.00 1.03 0.00 0.00 5.08 -1.94 -2.34 114.58 116.42 1kgj h GLU 651 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1kgj h GLU 651 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1kgj h GLU 651 CO 0.00 0.91 0.00 -1.13 -1.00 0.00 0.00 179.01 177.79 1kgj n SER 652 N -4.32 0.07 0.00 1.42 3.41 -1.26 -4.72 113.62 108.21 1kgj n SER 652 Ca 0.04 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1kgj n SER 652 Cb 0.23 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1kgj n SER 652 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kgj n GLY 653 N -0.94 1.78 3.94 5.00 0.00 -0.88 -4.78 105.19 109.32 1kgj n GLY 653 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1kgj n GLY 653 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kgj s GLU 654 N -0.56 2.92 -0.46 1.61 -1.05 -1.26 -1.50 118.70 118.40 1kgj s GLU 654 Ca 0.00 -1.17 0.03 0.00 -0.15 0.00 0.00 54.97 53.68 1kgj s GLU 654 Cb 0.00 -2.68 0.12 0.00 -0.44 0.00 0.00 34.13 31.14 1kgj s GLU 654 CO 0.00 0.01 0.20 -1.17 0.95 0.00 0.00 175.26 175.25 1kgj s LEU 655 N -4.14 4.67 -0.40 1.83 0.20 -0.25 -1.65 118.68 118.95 1kgj s LEU 655 Ca 0.45 -2.60 -0.21 0.00 0.69 0.00 0.00 54.13 52.46 1kgj s LEU 655 Cb -0.08 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1kgj s LEU 655 CO 0.30 -0.33 0.65 -2.28 -0.29 0.00 0.00 176.35 174.40 1kgj s HIS 656 N 0.29 3.10 0.00 5.38 5.65 -1.26 -3.79 115.29 124.66 1kgj s HIS 656 Ca 0.14 0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.63 1kgj s HIS 656 Cb -0.23 -3.27 0.00 0.00 -1.18 0.00 0.00 32.58 27.91 1kgj s HIS 656 CO -0.04 -0.75 0.00 0.41 -0.65 0.00 0.00 174.74 173.71 1kgj n GLY 657 N 4.83 0.85 0.13 1.59 0.00 -1.26 -5.06 105.19 106.28 1kgj n GLY 657 Ca -0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1kgj n GLY 657 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kgj n LEU 658 N -0.06 2.49 0.00 0.99 4.77 -1.26 -5.05 117.00 118.89 1kgj n LEU 658 Ca 0.00 0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1kgj n LEU 658 Cb 0.02 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 1kgj n LEU 658 CO 0.00 0.74 0.09 1.07 -1.33 0.00 0.00 177.39 177.97 1kgj n THR 659 N -3.67 0.00 -4.45 -5.08 5.66 -1.26 -4.80 114.28 100.69 1kgj n THR 659 Ca -0.32 -0.61 -0.22 0.00 -3.05 0.00 0.00 64.05 59.84 1kgj n THR 659 Cb 0.98 0.41 -0.10 0.00 -1.55 0.00 0.00 70.33 70.06 1kgj n THR 659 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1kgj s THR 660 N -2.60 2.06 -0.66 1.09 -4.23 -1.26 -4.51 115.64 105.54 1kgj s THR 660 Ca 0.10 -2.26 0.12 0.00 -1.18 0.00 0.00 61.69 58.48 1kgj s THR 660 Cb -0.01 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.61 1kgj s THR 660 CO 0.07 -0.39 1.38 0.47 -0.54 0.00 0.00 174.62 175.62 1kgj n ASP 661 N -0.59 0.28 -0.10 3.99 8.00 -1.26 -0.75 116.55 126.12 1kgj n ASP 661 Ca -0.06 0.61 -0.17 0.00 0.71 0.00 0.00 54.79 55.89 1kgj n ASP 661 Cb 0.62 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 1kgj n ASP 661 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kgj n GLU 662 N -1.85 0.53 0.21 -1.24 -0.58 -1.26 -4.36 120.64 112.09 1kgj n GLU 662 Ca 0.00 0.54 0.14 0.00 -0.42 0.00 0.00 57.16 57.42 1kgj n GLU 662 Cb 0.06 -1.71 0.45 0.00 -0.57 0.00 0.00 31.44 29.67 1kgj n GLU 662 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1kgj h LYS 663 N -1.00 0.00 -4.91 3.49 1.57 -1.91 -3.38 116.57 110.43 1kgj h LYS 663 Ca -0.25 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.82 1kgj h LYS 663 Cb 1.07 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 1kgj h LYS 663 CO -0.15 0.00 2.27 0.34 -0.57 0.00 0.00 179.45 181.34 1kgj n PHE 664 N -2.84 4.24 -2.19 -1.35 -0.00 0.07 -4.94 117.46 110.46 1kgj n PHE 664 Ca 0.03 -2.97 -0.27 0.00 -0.00 0.00 0.00 57.45 54.24 1kgj n PHE 664 Cb 0.39 -2.46 0.14 0.00 -0.00 0.00 0.00 39.48 37.55 1kgj n PHE 664 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1kgj s THR 665 N 3.04 2.08 0.46 -2.13 -4.23 -1.26 -4.92 115.64 108.68 1kgj s THR 665 Ca 0.49 -0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1kgj s THR 665 Cb 0.06 -2.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 1kgj s THR 665 CO 0.01 0.00 1.08 -1.83 -0.54 0.00 0.00 174.62 173.35 1kgj s GLU 666 N -5.55 3.82 0.00 3.99 -1.05 -1.26 -4.87 118.70 113.78 1kgj s GLU 666 Ca 0.69 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 57.05 1kgj s GLU 666 Cb -0.05 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.36 1kgj s GLU 666 CO 0.49 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.67 1kgj n GLY 667 N 0.13 0.39 3.76 -3.83 0.00 -0.58 -4.99 105.19 100.06 1kgj n GLY 667 Ca 0.08 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1kgj n GLY 667 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgj s VAL 668 N -1.46 4.10 -0.03 1.61 1.01 -1.26 0.01 120.40 124.38 1kgj s VAL 668 Ca 0.00 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.03 1kgj s VAL 668 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1kgj s VAL 668 CO 0.00 0.43 -0.04 -0.31 0.00 0.00 0.00 175.10 175.18 1kgj s TYR 669 N -1.26 0.60 -0.20 5.22 1.51 0.12 -2.03 117.35 121.31 1kgj s TYR 669 Ca 0.43 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1kgj s TYR 669 Cb -0.25 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1kgj s TYR 669 CO 0.30 -0.12 -0.01 0.50 -1.11 0.00 0.00 175.55 175.11 1kgj s ARG 670 N 0.60 3.56 -0.16 -0.62 3.52 -0.65 -1.30 118.95 123.90 1kgj s ARG 670 Ca -0.07 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 1kgj s ARG 670 Cb -0.11 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1kgj s ARG 670 CO -0.00 -0.03 -0.07 0.08 -0.81 0.00 0.00 175.30 174.46 1kgj s VAL 671 N 1.11 3.51 -0.16 7.11 1.01 0.23 -0.70 120.40 132.51 1kgj s VAL 671 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1kgj s VAL 671 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1kgj s VAL 671 CO 0.01 0.49 -0.17 -0.70 0.00 0.00 0.00 175.10 174.74 1kgj s GLU 672 N 0.55 3.16 -0.16 2.72 2.12 -0.59 -0.14 118.70 126.36 1kgj s GLU 672 Ca -0.05 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 1kgj s GLU 672 Cb -0.15 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 1kgj s GLU 672 CO 0.03 -0.02 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.13 1kgj s LEU 673 N 0.88 2.87 -1.16 2.70 1.43 0.18 -1.82 118.68 123.77 1kgj s LEU 673 Ca -0.04 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1kgj s LEU 673 Cb -0.15 -1.68 0.24 0.00 0.03 0.00 0.00 46.19 44.62 1kgj s LEU 673 CO -0.02 0.11 1.35 -0.67 0.23 0.00 0.00 176.35 177.35 1kgj n ASP 674 N 3.90 5.49 0.17 2.29 2.03 -0.81 -1.18 116.55 128.45 1kgj n ASP 674 Ca -0.18 -3.07 0.02 0.00 0.52 0.00 0.00 54.79 52.08 1kgj n ASP 674 Cb 0.52 -1.44 0.28 0.00 -0.72 0.00 0.00 41.12 39.76 1kgj n ASP 674 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1kgj h THR 675 N 3.97 1.22 -0.15 5.18 1.35 -1.88 -3.03 112.91 119.57 1kgj h THR 675 Ca 0.25 -1.71 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1kgj h THR 675 Cb 0.81 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1kgj h THR 675 CO 1.20 0.47 0.07 0.50 -0.25 0.00 0.00 175.52 177.50 1kgj h LYS 676 N 0.00 0.14 -0.41 4.72 3.64 -1.78 1.00 116.57 123.87 1kgj h LYS 676 Ca -0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1kgj h LYS 676 Cb 0.92 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1kgj h LYS 676 CO 0.06 0.09 -0.14 0.77 -2.27 0.00 0.00 179.45 177.96 1kgj h SER 677 N 0.15 0.76 0.25 4.20 0.02 -1.87 -1.85 113.55 115.21 1kgj h SER 677 Ca 0.06 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1kgj h SER 677 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1kgj h SER 677 CO -0.05 0.91 -0.25 0.22 -1.14 0.00 0.00 176.83 176.52 1kgj h TYR 678 N 0.68 -0.66 -0.30 3.45 3.20 -1.23 -2.26 116.97 119.84 1kgj h TYR 678 Ca 0.11 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1kgj h TYR 678 Cb 0.62 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1kgj h TYR 678 CO 0.03 -0.37 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.39 1kgj h TRP 679 N -0.54 0.74 -0.57 -3.82 4.06 -0.78 -3.22 115.95 111.82 1kgj h TRP 679 Ca -0.01 -0.19 -0.06 0.00 2.06 0.00 0.00 58.89 60.70 1kgj h TRP 679 Cb 0.50 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.46 1kgj h TRP 679 CO -0.17 0.88 0.12 0.87 -3.56 0.00 0.00 178.44 176.58 1kgj h LYS 680 N 0.55 0.89 -0.93 0.49 1.57 -1.14 -1.41 116.57 116.59 1kgj h LYS 680 Ca 0.06 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1kgj h LYS 680 Cb 0.80 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 1kgj h LYS 680 CO 0.07 0.81 0.60 0.00 -0.57 0.00 0.00 179.45 180.36 1kgj h ALA 681 N 1.28 1.54 0.00 3.86 0.00 -1.41 0.24 119.26 124.76 1kgj h ALA 681 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kgj h ALA 681 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kgj h ALA 681 CO 0.00 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1kgj n LEU 682 N -4.52 0.00 -0.84 0.00 4.77 -1.00 -4.88 117.00 110.53 1kgj n LEU 682 Ca 0.15 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1kgj n LEU 682 Cb 0.25 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1kgj n LEU 682 CO 0.32 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 176.97 1kgj n GLY 683 N 0.91 0.32 3.13 -0.72 0.00 0.84 -5.03 105.19 104.65 1kgj n GLY 683 Ca 0.21 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1kgj n GLY 683 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kgj s ILE 684 N -2.57 1.91 -0.36 -0.61 1.01 -0.56 -5.01 121.20 115.01 1kgj s ILE 684 Ca 0.05 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 1kgj s ILE 684 Cb -0.02 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1kgj s ILE 684 CO 0.07 0.52 0.93 -0.55 0.00 0.00 0.00 174.94 175.91 1kgj s SER 685 N 0.94 6.69 0.74 3.58 0.15 -1.26 -2.76 113.70 121.78 1kgj s SER 685 Ca -0.05 0.61 -0.03 0.00 0.70 0.00 0.00 55.95 57.18 1kgj s SER 685 Cb -0.15 -2.47 0.13 0.00 -1.71 0.00 0.00 66.02 61.83 1kgj s SER 685 CO -0.04 -0.85 0.88 -0.81 1.20 0.00 0.00 173.24 173.63 1kgj n PRO 686 N 6.75 -0.19 0.00 5.44 -0.04 -1.26 -4.98 135.00 140.73 1kgj n PRO 686 Ca 0.07 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 1kgj n PRO 686 Cb 0.48 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1kgj n PRO 686 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1kgj n PHE 687 N -2.77 0.00 -2.12 0.54 -0.00 -0.58 -4.99 117.46 107.53 1kgj n PHE 687 Ca 0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.24 1kgj n PHE 687 Cb 0.49 -0.23 0.02 0.00 -0.00 0.00 0.00 39.48 39.75 1kgj n PHE 687 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1kgj s HIS 688 N -0.95 2.64 0.15 -5.13 0.09 -1.26 -4.95 115.29 105.88 1kgj s HIS 688 Ca 0.00 1.54 0.17 0.00 -0.00 0.00 0.00 55.06 56.77 1kgj s HIS 688 Cb 0.00 -3.27 0.54 0.00 -0.00 0.00 0.00 32.58 29.86 1kgj s HIS 688 CO 0.00 -1.63 1.67 0.93 -0.00 0.00 0.00 174.74 175.71 1kgj h GLU 689 N 0.88 0.00 -1.54 1.40 4.39 -1.98 -3.40 114.58 114.32 1kgj h GLU 689 Ca -0.49 0.00 0.41 0.00 0.34 0.00 0.00 59.36 59.61 1kgj h GLU 689 Cb 1.26 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.80 1kgj h GLU 689 CO 0.56 0.44 1.01 1.52 -1.16 0.00 0.00 179.01 181.38 1kgj s TYR 690 N -3.52 -0.00 -0.13 4.33 -0.85 -1.26 -3.98 117.35 111.94 1kgj s TYR 690 Ca 0.00 -0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1kgj s TYR 690 Cb 0.11 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.96 1kgj s TYR 690 CO 0.71 -0.02 -0.20 0.00 -1.52 0.00 0.00 175.55 174.52 1kgj s ALA 691 N -2.01 2.12 0.06 9.51 0.00 -0.32 -4.92 121.76 126.20 1kgj s ALA 691 Ca 0.24 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1kgj s ALA 691 Cb 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1kgj s ALA 691 CO -0.05 -0.05 -0.24 -2.00 0.00 0.00 0.00 175.76 173.43 1kgj s GLU 692 N 0.87 1.54 -0.06 0.00 2.12 -1.26 0.52 118.70 122.43 1kgj s GLU 692 Ca -0.07 -1.07 -0.01 0.00 0.36 0.00 0.00 54.97 54.18 1kgj s GLU 692 Cb -0.15 -1.73 0.03 0.00 0.26 0.00 0.00 34.13 32.53 1kgj s GLU 692 CO -0.02 0.44 0.02 0.08 -0.54 0.00 0.00 175.26 175.23 1kgj s VAL 693 N -0.86 0.24 -0.11 3.70 1.01 0.80 -4.98 120.40 120.21 1kgj s VAL 693 Ca 0.10 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1kgj s VAL 693 Cb -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1kgj s VAL 693 CO 0.03 0.24 -0.23 -0.69 0.00 0.00 0.00 175.10 174.45 1kgj s VAL 694 N 2.00 1.99 0.19 2.92 1.01 -1.26 0.77 120.40 128.01 1kgj s VAL 694 Ca 0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1kgj s VAL 694 Cb -0.12 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1kgj s VAL 694 CO -0.05 0.54 0.33 0.72 0.00 0.00 0.00 175.10 176.65 1kgj s PHE 695 N 0.50 0.40 -0.20 5.22 -0.71 -0.42 -4.99 117.98 117.77 1kgj s PHE 695 Ca -0.15 -0.75 -0.09 0.00 -1.04 0.00 0.00 56.93 54.90 1kgj s PHE 695 Cb -0.17 -0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 1kgj s PHE 695 CO 0.06 -0.79 0.10 0.99 -1.34 0.00 0.00 175.22 174.23 1kgj s THR 696 N -3.98 5.00 -0.07 -4.49 2.01 -1.26 0.13 115.64 112.98 1kgj s THR 696 Ca 0.19 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1kgj s THR 696 Cb 0.02 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1kgj s THR 696 CO 0.02 0.42 -0.09 0.00 -0.69 0.00 0.00 174.62 174.29 1kgj s ALA 697 N 0.61 2.87 -0.13 7.40 0.00 0.10 -4.70 121.76 127.92 1kgj s ALA 697 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1kgj s ALA 697 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1kgj s ALA 697 CO 0.01 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.40 1kgj n ASN 698 N 2.35 -5.07 -0.07 0.00 5.03 -1.26 -1.53 115.26 114.71 1kgj n ASN 698 Ca -0.18 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1kgj n ASN 698 Cb 0.53 -2.67 0.00 0.00 -1.02 0.00 0.00 39.78 36.61 1kgj n ASN 698 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1kgj n ASP 699 N -0.67 0.11 -2.39 6.41 9.92 -1.26 -2.92 116.55 125.75 1kgj n ASP 699 Ca -0.01 -1.54 -0.02 0.00 -0.53 0.00 0.00 54.79 52.68 1kgj n ASP 699 Cb 0.36 -0.06 0.08 0.00 -0.64 0.00 0.00 41.12 40.86 1kgj n ASP 699 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1kgj n SER 700 N -0.41 -0.82 0.00 -2.24 7.64 -1.26 -5.14 113.62 111.39 1kgj n SER 700 Ca 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1kgj n SER 700 Cb 0.03 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1kgj n SER 700 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kgj n GLY 701 N -1.08 3.44 3.40 0.23 0.00 -1.15 -4.98 105.19 105.05 1kgj n GLY 701 Ca -0.15 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.57 1kgj n GLY 701 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1kgj s HIS 702 N -2.63 3.44 0.44 1.61 2.46 -1.26 -4.10 115.29 115.24 1kgj s HIS 702 Ca 0.00 -1.71 0.07 0.00 0.47 0.00 0.00 55.06 53.89 1kgj s HIS 702 Cb 0.00 -4.07 -0.04 0.00 -0.13 0.00 0.00 32.58 28.34 1kgj s HIS 702 CO 0.00 -1.26 0.17 1.03 -2.47 0.00 0.00 174.74 172.22 1kgj s ARG 703 N 1.46 2.20 -0.18 2.88 0.52 -1.26 -4.54 118.95 120.02 1kgj s ARG 703 Ca 0.27 -1.94 -0.14 0.00 -0.52 0.00 0.00 55.73 53.40 1kgj s ARG 703 Cb -0.07 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 1kgj s ARG 703 CO -0.09 -0.19 0.33 -1.01 0.02 0.00 0.00 175.30 174.36 1kgj s HIS 704 N -2.65 3.41 -0.16 -0.53 3.76 -1.25 -4.92 115.29 112.95 1kgj s HIS 704 Ca 0.37 0.57 -0.06 0.00 -0.15 0.00 0.00 55.06 55.79 1kgj s HIS 704 Cb 0.04 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1kgj s HIS 704 CO 0.20 0.12 0.04 0.71 -0.85 0.00 0.00 174.74 174.96 1kgj s TYR 705 N 0.87 3.23 -0.19 1.40 2.02 0.21 -1.61 117.35 123.29 1kgj s TYR 705 Ca 0.17 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1kgj s TYR 705 Cb -0.14 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1kgj s TYR 705 CO 0.06 0.24 -0.07 0.99 -1.57 0.00 0.00 175.55 175.19 1kgj s THR 706 N 0.02 1.35 -0.31 -0.71 2.01 -0.50 -1.21 115.64 116.29 1kgj s THR 706 Ca 0.05 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 1kgj s THR 706 Cb -0.12 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1kgj s THR 706 CO 0.01 0.12 0.22 -0.63 -0.69 0.00 0.00 174.62 173.65 1kgj s ILE 707 N 1.52 5.30 0.10 1.82 -1.09 -0.51 -1.03 121.20 127.31 1kgj s ILE 707 Ca -0.01 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1kgj s ILE 707 Cb -0.16 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1kgj s ILE 707 CO -0.08 0.11 0.12 0.00 -1.23 0.00 0.00 174.94 173.87 1kgj s ALA 708 N 1.74 3.65 -0.11 9.38 0.00 0.17 -1.02 121.76 135.56 1kgj s ALA 708 Ca 0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1kgj s ALA 708 Cb -0.17 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.51 1kgj s ALA 708 CO 0.11 0.68 0.26 0.00 0.00 0.00 0.00 175.76 176.81 1kgj s ALA 709 N -1.52 -0.59 -0.23 0.00 0.00 0.42 -2.07 121.76 117.77 1kgj s ALA 709 Ca 0.31 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 53.26 1kgj s ALA 709 Cb -0.12 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1kgj s ALA 709 CO 0.24 -0.25 -0.04 -1.17 0.00 0.00 0.00 175.76 174.53 1kgj s LEU 710 N 1.39 2.97 -0.06 0.00 2.96 -0.65 0.42 118.68 125.71 1kgj s LEU 710 Ca -0.08 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1kgj s LEU 710 Cb -0.10 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1kgj s LEU 710 CO -0.09 -0.05 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.04 1kgj s LEU 711 N 1.45 3.03 0.10 -0.68 1.43 0.13 -2.08 118.68 122.07 1kgj s LEU 711 Ca 0.05 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1kgj s LEU 711 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1kgj s LEU 711 CO -0.04 0.36 0.03 -0.44 0.23 0.00 0.00 176.35 176.49 1kgj s SER 712 N -0.77 0.36 0.22 2.29 0.01 -0.58 -0.89 113.70 114.34 1kgj s SER 712 Ca 0.12 -1.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.18 1kgj s SER 712 Cb -0.11 0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.58 1kgj s SER 712 CO 0.01 -0.69 1.86 -0.65 0.41 0.00 0.00 173.24 174.18 1kgj h PRO 713 N 2.95 1.19 -0.33 12.44 0.11 -1.99 -3.21 132.00 143.16 1kgj h PRO 713 Ca -0.35 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kgj h PRO 713 Cb 1.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1kgj h PRO 713 CO 0.61 0.85 0.00 0.66 -0.21 0.00 0.00 178.00 179.91 1kgj n TYR 714 N -4.39 0.69 -3.62 0.65 4.02 -1.26 -1.53 117.16 111.71 1kgj n TYR 714 Ca 0.09 -0.65 -0.12 0.00 -0.01 0.00 0.00 57.90 57.21 1kgj n TYR 714 Cb 0.08 -0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 1kgj n TYR 714 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kgj s SER 715 N -1.34 -0.57 0.06 7.72 0.15 -1.21 -4.98 113.70 113.52 1kgj s SER 715 Ca 0.31 1.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.95 1kgj s SER 715 Cb 0.21 1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 1kgj s SER 715 CO 0.13 -0.25 0.07 -0.72 1.20 0.00 0.00 173.24 173.68 1kgj s TYR 716 N 0.04 0.34 -0.01 3.44 -0.85 -1.26 -1.53 117.35 117.51 1kgj s TYR 716 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1kgj s TYR 716 Cb -0.04 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.07 1kgj s TYR 716 CO -0.01 -0.44 -0.02 0.45 -1.52 0.00 0.00 175.55 174.00 1kgj s SER 717 N -2.80 0.31 0.05 -0.18 0.15 -0.88 -5.00 113.70 105.34 1kgj s SER 717 Ca 0.05 -0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.72 1kgj s SER 717 Cb 0.06 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1kgj s SER 717 CO -0.10 0.02 -0.18 0.42 1.20 0.00 0.00 173.24 174.60 1kgj s THR 718 N 0.07 1.43 0.06 6.45 -4.23 -1.26 -1.64 115.64 116.52 1kgj s THR 718 Ca -0.00 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 1kgj s THR 718 Cb -0.03 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1kgj s THR 718 CO -0.00 0.07 0.21 0.28 -0.54 0.00 0.00 174.62 174.64 1kgj s THR 719 N -0.89 0.12 -0.01 3.99 -1.32 -0.88 -4.98 115.64 111.67 1kgj s THR 719 Ca 0.05 -1.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.59 1kgj s THR 719 Cb -0.09 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.77 1kgj s THR 719 CO 0.02 -0.55 -0.20 0.00 -2.21 0.00 0.00 174.62 171.68 1kgj s ALA 720 N -3.19 1.65 -0.26 11.08 0.00 -1.26 -0.66 121.76 129.12 1kgj s ALA 720 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1kgj s ALA 720 Cb 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1kgj s ALA 720 CO -0.07 0.40 -0.07 0.08 0.00 0.00 0.00 175.76 176.10 1kgj s VAL 721 N -0.47 1.90 -0.47 0.00 1.01 -0.20 -4.97 120.40 117.20 1kgj s VAL 721 Ca 0.08 -1.53 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 1kgj s VAL 721 Cb -0.08 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1kgj s VAL 721 CO -0.01 -0.12 0.38 -0.69 0.00 0.00 0.00 175.10 174.66 1kgj s VAL 722 N 1.21 4.83 0.00 2.92 1.01 -1.26 -1.41 120.40 127.69 1kgj s VAL 722 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1kgj s VAL 722 Cb -0.19 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1kgj s VAL 722 CO -0.06 -0.65 0.00 -1.20 0.00 0.00 0.00 175.10 173.18 1kgj n SER 723 N 5.10 0.00 -3.68 3.32 7.64 -0.63 -4.94 113.62 120.43 1kgj n SER 723 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 1kgj n SER 723 Cb 0.42 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 1kgj n SER 723 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kgj s ASN 724 N -1.00 -0.63 -0.97 6.43 3.84 -1.26 -3.85 114.94 117.51 1kgj s ASN 724 Ca 0.00 1.14 -0.24 0.00 0.21 0.00 0.00 52.86 53.97 1kgj s ASN 724 Cb 0.00 1.10 -0.06 0.00 -0.55 0.00 0.00 41.25 41.74 1kgj s ASN 724 CO 0.00 -0.20 1.95 -2.84 -2.79 0.00 0.00 177.10 173.22 1kgj s PRO 725 N 0.73 2.53 0.00 0.43 0.02 -1.26 -4.92 135.00 132.53 1kgj s PRO 725 Ca -0.04 -0.50 0.00 0.00 0.02 0.00 0.00 61.00 60.48 1kgj s PRO 725 Cb -0.05 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.37 1kgj s PRO 725 CO -0.05 -3.54 0.00 0.00 -0.33 0.00 0.00 177.00 173.08 1kgj n GLN 726 N 8.71 0.00 0.00 5.54 0.00 -1.26 -5.16 117.38 125.21 1kgj n GLN 726 Ca 0.41 0.00 0.14 0.00 0.00 0.00 0.00 57.00 57.55 1kgj n GLN 726 Cb 0.47 -0.37 0.81 0.00 0.00 0.00 0.00 30.24 31.14 1kgj n GLN 726 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15