#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr9 s VAL 595 N 0.00 4.83 0.00 0.00 1.01 -1.26 -2.04 120.40 122.94 1rr9 s VAL 595 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1rr9 s VAL 595 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1rr9 s VAL 595 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1rr9 n GLY 596 N 3.89 0.77 3.30 4.51 0.00 -1.26 -4.84 105.19 111.56 1rr9 n GLY 596 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1rr9 n GLY 596 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rr9 s GLN 597 N -0.21 3.35 0.03 1.61 -1.52 -1.24 -1.66 119.66 120.02 1rr9 s GLN 597 Ca 0.00 -0.64 0.04 0.00 -1.95 0.00 0.00 55.36 52.81 1rr9 s GLN 597 Cb 0.00 -2.98 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 1rr9 s GLN 597 CO 0.00 -0.19 -0.12 0.08 -0.25 0.00 0.00 175.29 174.81 1rr9 s VAL 598 N 1.45 0.92 -0.38 1.09 1.01 -0.44 -4.72 120.40 119.35 1rr9 s VAL 598 Ca 0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1rr9 s VAL 598 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1rr9 s VAL 598 CO -0.04 0.01 0.45 -0.89 0.00 0.00 0.00 175.10 174.63 1rr9 s THR 599 N -0.74 5.07 0.14 3.92 2.01 -1.26 0.59 115.64 125.38 1rr9 s THR 599 Ca 0.01 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1rr9 s THR 599 Cb -0.07 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1rr9 s THR 599 CO 0.01 -0.28 -0.04 -0.83 -0.69 0.00 0.00 174.62 172.79 1rr9 s GLY 600 N 1.79 1.78 -0.37 4.40 0.00 0.12 -1.95 107.32 113.09 1rr9 s GLY 600 Ca 0.15 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 1rr9 s GLY 600 CO 0.13 -1.31 0.16 1.08 0.00 0.00 0.00 173.10 173.17 1rr9 s LEU 601 N -2.63 4.73 0.01 0.66 1.43 0.01 0.56 118.68 123.45 1rr9 s LEU 601 Ca 0.25 -1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1rr9 s LEU 601 Cb -0.10 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1rr9 s LEU 601 CO 0.17 -0.43 0.13 0.00 0.23 0.00 0.00 176.35 176.44 1rr9 s ALA 602 N 1.34 -0.29 0.66 4.21 0.00 -1.20 -4.41 121.76 122.07 1rr9 s ALA 602 Ca 0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 1rr9 s ALA 602 Cb -0.21 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1rr9 s ALA 602 CO 0.01 -0.21 0.66 1.87 0.00 0.00 0.00 175.76 178.08 1rr9 n TRP 603 N 1.40 -0.32 -3.75 0.00 -0.00 -1.25 -4.25 117.44 109.28 1rr9 n TRP 603 Ca -0.23 0.39 -0.10 0.00 -0.00 0.00 0.00 57.50 57.57 1rr9 n TRP 603 Cb 0.56 -1.98 -0.05 0.00 -0.00 0.00 0.00 31.31 29.83 1rr9 n TRP 603 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1rr9 s THR 604 N -1.78 0.08 0.33 5.87 -4.23 0.30 -3.02 115.64 113.18 1rr9 s THR 604 Ca 0.69 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 1rr9 s THR 604 Cb -0.38 -1.36 0.29 0.00 1.34 0.00 0.00 72.50 72.38 1rr9 s THR 604 CO 0.54 -0.36 1.93 -0.33 -0.54 0.00 0.00 174.62 175.86 1rr9 h GLU 605 N 2.45 0.89 -0.31 3.99 4.39 -1.17 -0.90 114.58 123.92 1rr9 h GLU 605 Ca -0.33 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1rr9 h GLU 605 Cb 1.24 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1rr9 h GLU 605 CO 0.48 0.59 0.00 1.33 -1.16 0.00 0.00 179.01 180.24 1rr9 n VAL 606 N -4.48 0.37 0.00 3.13 0.24 -1.26 -4.99 118.33 111.33 1rr9 n VAL 606 Ca 0.12 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1rr9 n VAL 606 Cb 0.21 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1rr9 n VAL 606 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rr9 n GLY 607 N 0.77 0.97 2.12 7.63 0.00 -0.34 -4.88 105.19 111.47 1rr9 n GLY 607 Ca 0.08 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 1rr9 n GLY 607 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rr9 n GLY 608 N -1.37 4.36 0.00 -0.02 0.00 -1.26 0.11 105.19 107.01 1rr9 n GLY 608 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1rr9 n GLY 608 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rr9 n ASP 609 N -0.95 -1.47 -4.84 1.61 5.68 -1.26 -4.11 116.55 111.21 1rr9 n ASP 609 Ca 0.55 -0.02 -0.36 0.00 -0.50 0.00 0.00 54.79 54.46 1rr9 n ASP 609 Cb 1.59 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 41.51 1rr9 n ASP 609 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1rr9 s LEU 610 N 0.00 4.35 0.03 -2.12 0.05 -1.26 -3.24 118.68 116.49 1rr9 s LEU 610 Ca 0.00 1.17 0.08 0.00 0.05 0.00 0.00 54.13 55.44 1rr9 s LEU 610 Cb 0.00 -3.34 -0.03 0.00 -2.05 0.00 0.00 46.19 40.78 1rr9 s LEU 610 CO 0.00 0.09 -0.24 -0.76 -0.55 0.00 0.00 176.35 174.89 1rr9 s LEU 611 N -1.93 2.14 -0.51 1.48 1.43 0.19 -4.97 118.68 116.51 1rr9 s LEU 611 Ca 0.39 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1rr9 s LEU 611 Cb -0.16 -1.19 0.12 0.00 0.03 0.00 0.00 46.19 44.99 1rr9 s LEU 611 CO 0.20 0.24 0.44 0.28 0.23 0.00 0.00 176.35 177.74 1rr9 s THR 612 N -0.76 4.90 0.16 5.49 -1.32 -1.26 0.15 115.64 123.00 1rr9 s THR 612 Ca 0.10 -1.56 -0.30 0.00 -1.21 0.00 0.00 61.69 58.73 1rr9 s THR 612 Cb -0.10 -4.14 -0.07 0.00 -1.51 0.00 0.00 72.50 66.68 1rr9 s THR 612 CO 0.01 -0.82 1.07 -0.63 -2.21 0.00 0.00 174.62 172.04 1rr9 s ILE 613 N 1.53 4.01 0.12 5.08 1.09 0.20 -4.02 121.20 129.21 1rr9 s ILE 613 Ca 0.04 1.73 0.11 0.00 -1.10 0.00 0.00 60.65 61.42 1rr9 s ILE 613 Cb -0.28 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 36.97 1rr9 s ILE 613 CO 0.02 0.29 -0.27 -1.61 -0.10 0.00 0.00 174.94 173.28 1rr9 s GLU 614 N -0.31 1.43 -0.05 2.79 2.02 -0.00 -1.33 118.70 123.25 1rr9 s GLU 614 Ca 0.49 -1.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 1rr9 s GLU 614 Cb -0.28 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.06 1rr9 s GLU 614 CO 0.34 0.45 0.14 0.99 0.02 0.00 0.00 175.26 177.20 1rr9 s THR 615 N -1.04 -0.00 -0.07 3.63 2.01 -0.66 -1.74 115.64 117.76 1rr9 s THR 615 Ca 0.14 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 1rr9 s THR 615 Cb -0.10 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1rr9 s THR 615 CO 0.06 0.00 -0.01 0.00 -0.69 0.00 0.00 174.62 173.98 1rr9 s ALA 616 N 0.14 0.77 -0.66 7.40 0.00 -0.27 -4.80 121.76 124.34 1rr9 s ALA 616 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1rr9 s ALA 616 Cb -0.02 -0.71 0.19 0.00 0.00 0.00 0.00 23.12 22.58 1rr9 s ALA 616 CO -0.00 -0.38 0.55 0.00 0.00 0.00 0.00 175.76 175.92 1rr9 s VAL 618 N -1.58 5.00 0.25 0.00 0.11 -0.15 -4.80 120.40 119.23 1rr9 s VAL 618 Ca 0.30 0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 1rr9 s VAL 618 Cb 0.02 -3.75 -0.12 0.00 -1.53 0.00 0.00 36.38 31.00 1rr9 s VAL 618 CO -0.13 -0.39 1.66 -2.16 -3.33 0.00 0.00 175.10 170.75 1rr9 s PRO 619 N -3.69 4.12 0.00 1.54 0.04 -1.26 0.58 135.00 136.32 1rr9 s PRO 619 Ca 0.45 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1rr9 s PRO 619 Cb -0.11 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1rr9 s PRO 619 CO 0.31 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1rr9 n GLY 620 N 3.06 2.80 0.66 0.56 0.00 -0.47 -4.60 105.19 107.21 1rr9 n GLY 620 Ca 0.12 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1rr9 n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rr9 n LYS 621 N 0.00 2.87 -1.42 1.61 5.02 -1.26 -3.76 118.16 121.22 1rr9 n LYS 621 Ca 0.00 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 1rr9 n LYS 621 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1rr9 n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rr9 n GLY 622 N 0.13 0.76 3.49 0.72 0.00 -0.62 -4.59 105.19 105.09 1rr9 n GLY 622 Ca 0.14 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1rr9 n GLY 622 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rr9 s LYS 623 N -2.67 3.25 -0.25 1.61 -2.85 -1.24 -4.86 119.74 112.72 1rr9 s LYS 623 Ca 0.00 -0.58 -0.09 0.00 -1.00 0.00 0.00 55.97 54.30 1rr9 s LYS 623 Cb 0.00 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 33.02 1rr9 s LYS 623 CO 0.00 0.38 0.13 -0.51 0.10 0.00 0.00 175.35 175.45 1rr9 s LEU 624 N -0.06 3.77 -0.09 2.77 2.01 -1.26 -1.99 118.68 123.83 1rr9 s LEU 624 Ca -0.00 -0.07 -0.02 0.00 0.01 0.00 0.00 54.13 54.05 1rr9 s LEU 624 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 1rr9 s LEU 624 CO 0.03 -0.01 -0.02 -0.89 1.01 0.00 0.00 176.35 176.47 1rr9 s THR 625 N 1.50 4.15 -0.09 5.49 2.01 0.25 -4.99 115.64 123.95 1rr9 s THR 625 Ca 0.06 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1rr9 s THR 625 Cb -0.15 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.64 1rr9 s THR 625 CO 0.06 0.59 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.24 1rr9 s TYR 626 N -0.73 1.09 0.16 4.92 4.12 -1.26 -0.29 117.35 125.36 1rr9 s TYR 626 Ca 0.11 -0.46 -0.03 0.00 0.02 0.00 0.00 57.07 56.71 1rr9 s TYR 626 Cb -0.12 -1.02 -0.03 0.00 -1.52 0.00 0.00 41.96 39.27 1rr9 s TYR 626 CO 0.02 -0.42 0.13 0.95 0.02 0.00 0.00 175.55 176.25 1rr9 s THR 627 N 1.83 0.07 0.00 -0.71 -4.23 0.04 -4.95 115.64 107.69 1rr9 s THR 627 Ca 0.05 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1rr9 s THR 627 Cb -0.12 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1rr9 s THR 627 CO -0.07 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1rr9 n GLY 628 N -0.17 1.00 3.80 3.99 0.00 -1.26 -1.88 105.19 110.67 1rr9 n GLY 628 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1rr9 n GLY 628 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rr9 n SER 629 N 0.00 -1.40 -4.75 1.61 7.64 -1.23 -4.53 113.62 110.95 1rr9 n SER 629 Ca 0.00 -0.93 -0.40 0.00 1.01 0.00 0.00 58.87 58.56 1rr9 n SER 629 Cb 0.00 -3.54 -0.05 0.00 -1.01 0.00 0.00 64.21 59.61 1rr9 n SER 629 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rr9 s LEU 630 N -6.75 4.47 0.87 -3.43 1.43 -1.26 -1.48 118.68 112.53 1rr9 s LEU 630 Ca 0.07 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 1rr9 s LEU 630 Cb -0.02 -3.19 0.12 0.00 0.03 0.00 0.00 46.19 43.12 1rr9 s LEU 630 CO 0.85 0.07 1.13 -0.83 0.23 0.00 0.00 176.35 177.80 1rr9 s GLY 631 N -0.29 1.59 0.20 -3.19 0.00 0.14 -4.82 107.32 100.95 1rr9 s GLY 631 Ca 0.37 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1rr9 s GLY 631 CO 0.23 0.08 1.85 -2.09 0.00 0.00 0.00 173.10 173.17 1rr9 h GLU 632 N -1.36 0.84 -0.58 2.90 4.57 -1.98 -0.62 114.58 118.34 1rr9 h GLU 632 Ca -0.49 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.55 1rr9 h GLU 632 Cb 1.31 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1rr9 h GLU 632 CO 0.61 0.55 0.02 0.28 -1.18 0.00 0.00 179.01 179.30 1rr9 h VAL 633 N 0.86 1.26 -0.14 0.32 2.07 -1.93 -0.69 116.25 118.00 1rr9 h VAL 633 Ca 0.27 -1.08 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 1rr9 h VAL 633 Cb -0.02 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1rr9 h VAL 633 CO -0.09 0.39 -0.54 -0.03 0.02 0.00 0.00 177.57 177.33 1rr9 h MET 634 N 0.92 0.41 -0.63 1.57 1.85 -1.51 -1.74 114.93 115.79 1rr9 h MET 634 Ca 0.17 -0.25 -0.07 0.00 -0.61 0.00 0.00 59.70 58.94 1rr9 h MET 634 Cb 0.50 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.53 1rr9 h MET 634 CO 0.02 0.84 0.12 1.96 -0.40 0.00 0.00 176.91 179.45 1rr9 h GLN 635 N 0.31 1.03 0.00 0.39 4.20 -0.76 -2.25 115.11 118.04 1rr9 h GLN 635 Ca 0.01 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1rr9 h GLN 635 Cb 1.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1rr9 h GLN 635 CO 0.09 0.95 -0.45 0.93 -0.67 0.00 0.00 178.83 179.69 1rr9 h GLU 636 N 0.95 0.00 0.00 1.46 5.08 -0.99 -2.49 114.58 118.59 1rr9 h GLU 636 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1rr9 h GLU 636 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1rr9 h GLU 636 CO 0.01 0.45 -0.21 0.66 -1.00 0.00 0.00 179.01 178.91 1rr9 h SER 637 N 0.00 0.00 -0.03 1.42 4.64 -0.74 -0.75 113.55 118.10 1rr9 h SER 637 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 1rr9 h SER 637 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1rr9 h SER 637 CO 0.06 0.21 -0.97 0.40 -0.87 0.00 0.00 176.83 175.66 1rr9 h ILE 638 N 0.00 1.28 -0.71 0.95 2.04 -1.07 -1.90 117.51 118.11 1rr9 h ILE 638 Ca -0.00 -2.18 -0.07 0.00 1.00 0.00 0.00 64.86 63.61 1rr9 h ILE 638 Cb 0.60 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1rr9 h ILE 638 CO 0.03 0.68 0.18 1.56 0.00 0.00 0.00 178.15 180.60 1rr9 h GLN 639 N 0.40 1.13 0.15 2.37 4.20 -1.20 -0.33 115.11 121.82 1rr9 h GLN 639 Ca -0.11 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1rr9 h GLN 639 Cb 1.62 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1rr9 h GLN 639 CO 0.19 0.99 -0.07 0.00 -0.67 0.00 0.00 178.83 179.27 1rr9 h ALA 640 N 1.09 -0.20 -0.44 3.87 0.00 -1.14 -1.99 119.26 120.44 1rr9 h ALA 640 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rr9 h ALA 640 Cb 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1rr9 h ALA 640 CO 0.00 -0.60 0.25 0.00 0.00 0.00 0.00 179.25 178.90 1rr9 h ALA 641 N 0.61 0.55 -0.65 0.00 0.00 -1.11 -2.10 119.26 116.56 1rr9 h ALA 641 Ca -0.02 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1rr9 h ALA 641 Cb 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1rr9 h ALA 641 CO 0.03 -0.09 0.36 1.25 0.00 0.00 0.00 179.25 180.80 1rr9 h LEU 642 N 0.49 0.53 -0.75 0.00 5.85 -0.90 -1.83 115.31 118.70 1rr9 h LEU 642 Ca 0.18 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1rr9 h LEU 642 Cb 0.04 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1rr9 h LEU 642 CO -0.10 0.34 0.46 0.74 -0.34 0.00 0.00 178.44 179.55 1rr9 h THR 643 N 0.66 1.21 -0.45 1.05 2.02 -1.04 -0.44 112.91 115.92 1rr9 h THR 643 Ca 0.29 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1rr9 h THR 643 Cb 0.18 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 1rr9 h THR 643 CO -0.18 0.21 0.08 0.58 0.37 0.00 0.00 175.52 176.59 1rr9 h VAL 644 N 1.03 0.75 -0.68 3.16 2.07 -0.67 0.19 116.25 122.09 1rr9 h VAL 644 Ca 0.27 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 1rr9 h VAL 644 Cb -0.05 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1rr9 h VAL 644 CO -0.05 0.04 0.15 0.58 0.02 0.00 0.00 177.57 178.30 1rr9 h VAL 645 N 0.22 1.26 -0.33 2.57 2.07 -0.83 -2.41 116.25 118.80 1rr9 h VAL 645 Ca 0.22 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1rr9 h VAL 645 Cb 0.29 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1rr9 h VAL 645 CO -0.30 0.38 0.19 0.03 0.02 0.00 0.00 177.57 177.89 1rr9 h ARG 646 N 1.04 0.45 0.00 1.57 3.08 -0.08 0.16 114.38 120.61 1rr9 h ARG 646 Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1rr9 h ARG 646 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1rr9 h ARG 646 CO 0.01 0.36 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1rr9 h ALA 647 N 1.06 1.00 0.00 0.04 0.00 -0.42 -2.83 119.26 118.12 1rr9 h ALA 647 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rr9 h ALA 647 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rr9 h ALA 647 CO -0.02 0.00 -0.11 0.54 0.00 0.00 0.00 179.25 179.66 1rr9 n ARG 648 N -3.06 1.07 -0.25 0.00 1.74 -0.93 -4.75 116.66 110.48 1rr9 n ARG 648 Ca -0.01 -2.34 0.07 0.00 -0.77 0.00 0.00 57.85 54.79 1rr9 n ARG 648 Cb 0.18 -1.32 0.31 0.00 -1.02 0.00 0.00 32.46 30.61 1rr9 n ARG 648 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rr9 h ALA 649 N 0.05 1.65 0.36 7.54 0.00 -0.43 -0.08 119.26 128.35 1rr9 h ALA 649 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1rr9 h ALA 649 Cb 1.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1rr9 h ALA 649 CO 0.00 0.20 -0.17 1.49 0.00 0.00 0.00 179.25 180.77 1rr9 h GLU 650 N 0.86 -0.47 0.00 0.00 4.57 -1.83 0.67 114.58 118.38 1rr9 h GLU 650 Ca 0.38 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1rr9 h GLU 650 Cb 0.34 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1rr9 h GLU 650 CO -0.15 -0.30 0.00 0.87 -1.18 0.00 0.00 179.01 178.26 1rr9 h LYS 651 N -0.51 0.00 -0.67 1.92 1.57 -1.79 -3.05 116.57 114.03 1rr9 h LYS 651 Ca -0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1rr9 h LYS 651 Cb 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1rr9 h LYS 651 CO 0.08 0.00 0.15 1.28 -0.57 0.00 0.00 179.45 180.40 1rr9 n LEU 652 N -2.32 5.99 -1.97 2.94 4.77 -0.09 -4.92 117.00 121.39 1rr9 n LEU 652 Ca 0.03 -3.10 -0.15 0.00 -0.03 0.00 0.00 56.01 52.75 1rr9 n LEU 652 Cb 0.27 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1rr9 n LEU 652 CO 0.22 0.73 -0.17 0.61 -1.33 0.00 0.00 177.39 177.45 1rr9 n GLY 653 N 0.19 0.39 3.56 -0.72 0.00 -1.15 -4.95 105.19 102.51 1rr9 n GLY 653 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1rr9 n GLY 653 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rr9 s ILE 654 N -2.53 3.97 -0.50 -0.61 1.01 0.20 -4.97 121.20 117.77 1rr9 s ILE 654 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 1rr9 s ILE 654 Cb 0.00 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 1rr9 s ILE 654 CO 0.00 0.54 2.39 -3.20 0.00 0.00 0.00 174.94 174.67 1rr9 n ASN 655 N 2.96 2.13 -1.13 3.58 5.15 -1.26 -4.00 115.26 122.70 1rr9 n ASN 655 Ca -0.18 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 1rr9 n ASN 655 Cb 0.53 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1rr9 n ASN 655 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rr9 n PRO 656 N 8.74 0.12 0.00 1.20 -0.04 -1.26 -0.14 135.00 143.61 1rr9 n PRO 656 Ca 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1rr9 n PRO 656 Cb 0.39 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1rr9 n PRO 656 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rr9 n ASP 657 N 1.08 0.18 -0.09 3.54 8.00 -1.26 -4.81 116.55 123.19 1rr9 n ASP 657 Ca 0.00 -1.09 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 1rr9 n ASP 657 Cb 0.06 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.35 1rr9 n ASP 657 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1rr9 h PHE 658 N 0.00 0.77 -1.44 1.24 -5.15 -0.91 -3.04 116.94 108.42 1rr9 h PHE 658 Ca 0.00 -0.09 0.42 0.00 -0.20 0.00 0.00 57.97 58.09 1rr9 h PHE 658 Cb 0.94 -0.22 -0.06 0.00 0.22 0.00 0.00 35.95 36.83 1rr9 h PHE 658 CO 0.00 0.71 1.06 0.10 -2.00 0.00 0.00 178.31 178.18 1rr9 h TYR 659 N 0.70 0.00 -0.01 6.09 -0.00 -1.87 0.24 116.97 122.12 1rr9 h TYR 659 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.87 1rr9 h TYR 659 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 1rr9 h TYR 659 CO 0.02 0.00 -0.17 -1.91 -0.00 0.00 0.00 178.16 176.10 1rr9 n GLU 660 N -4.06 1.78 0.00 0.10 2.13 -1.15 -4.15 120.64 115.29 1rr9 n GLU 660 Ca 0.32 -0.71 0.03 0.00 0.66 0.00 0.00 57.16 57.46 1rr9 n GLU 660 Cb 1.51 -1.11 -0.03 0.00 0.27 0.00 0.00 31.44 32.09 1rr9 n GLU 660 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rr9 n LYS 661 N -0.09 4.14 -4.25 5.31 5.02 0.60 -3.78 118.16 125.10 1rr9 n LYS 661 Ca 0.05 -0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 1rr9 n LYS 661 Cb 0.22 -0.86 -0.12 0.00 -0.02 0.00 0.00 35.03 34.25 1rr9 n LYS 661 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rr9 s ARG 662 N -1.47 1.04 -0.17 1.97 0.52 0.18 -1.37 118.95 119.64 1rr9 s ARG 662 Ca 0.03 -1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 54.08 1rr9 s ARG 662 Cb 0.05 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.27 1rr9 s ARG 662 CO 0.24 0.28 0.00 -0.51 0.02 0.00 0.00 175.30 175.33 1rr9 s ASP 663 N -1.89 5.05 -0.12 0.23 1.01 0.20 -1.58 116.67 119.56 1rr9 s ASP 663 Ca 0.04 -0.08 -0.00 0.00 0.71 0.00 0.00 52.55 53.22 1rr9 s ASP 663 Cb -0.10 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1rr9 s ASP 663 CO 0.04 0.15 -0.11 -0.63 0.21 0.00 0.00 175.17 174.82 1rr9 s ILE 664 N 0.51 3.24 -0.20 0.77 1.01 -0.84 -0.98 121.20 124.72 1rr9 s ILE 664 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1rr9 s ILE 664 Cb -0.14 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1rr9 s ILE 664 CO 0.02 0.54 -0.07 -2.28 0.00 0.00 0.00 174.94 173.15 1rr9 s HIS 665 N 0.09 2.16 -0.28 3.97 2.46 0.12 0.86 115.29 124.66 1rr9 s HIS 665 Ca -0.04 -1.47 -0.08 0.00 0.47 0.00 0.00 55.06 53.94 1rr9 s HIS 665 Cb -0.14 -1.51 -0.01 0.00 -0.13 0.00 0.00 32.58 30.79 1rr9 s HIS 665 CO 0.04 -0.71 0.09 0.08 -2.47 0.00 0.00 174.74 171.77 1rr9 s VAL 666 N 1.48 4.26 0.01 0.89 1.01 0.61 -1.11 120.40 127.54 1rr9 s VAL 666 Ca -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1rr9 s VAL 666 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1rr9 s VAL 666 CO -0.07 0.19 -0.17 -2.28 0.00 0.00 0.00 175.10 172.76 1rr9 s HIS 667 N 1.58 1.54 -0.40 5.22 2.46 -0.71 -0.78 115.29 124.20 1rr9 s HIS 667 Ca 0.05 -0.31 0.03 0.00 0.47 0.00 0.00 55.06 55.30 1rr9 s HIS 667 Cb -0.16 -0.96 0.11 0.00 -0.13 0.00 0.00 32.58 31.44 1rr9 s HIS 667 CO 0.04 0.01 0.13 0.08 -2.47 0.00 0.00 174.74 172.53 1rr9 s VAL 668 N -0.55 2.12 0.89 0.89 1.01 -0.79 -0.82 120.40 123.14 1rr9 s VAL 668 Ca 0.06 -2.53 -0.16 0.00 0.00 0.00 0.00 61.98 59.35 1rr9 s VAL 668 Cb -0.07 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 1rr9 s VAL 668 CO 0.00 -0.69 -0.27 -2.65 0.00 0.00 0.00 175.10 171.49 1rr9 n PRO 669 N 3.94 -0.03 -0.61 2.72 -0.02 -1.26 -4.24 135.00 135.51 1rr9 n PRO 669 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1rr9 n PRO 669 Cb 0.38 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1rr9 n PRO 669 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rr9 n GLU 670 N 0.99 0.00 -0.29 -0.52 1.02 -1.26 -4.81 120.64 115.77 1rr9 n GLU 670 Ca 0.03 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.26 1rr9 n GLU 670 Cb 0.53 -0.75 0.19 0.00 -0.02 0.00 0.00 31.44 31.40 1rr9 n GLU 670 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rr9 n GLY 671 N -0.32 -1.25 0.10 0.62 0.00 -1.26 -0.38 105.19 102.69 1rr9 n GLY 671 Ca 0.00 0.85 0.13 0.00 0.00 0.00 0.00 46.02 47.00 1rr9 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr9 h ALA 672 N 1.67 0.83 -2.09 4.61 0.00 -1.93 -3.27 119.26 119.08 1rr9 h ALA 672 Ca 0.46 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.81 1rr9 h ALA 672 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1rr9 h ALA 672 CO -0.82 0.00 1.00 0.99 0.00 0.00 0.00 179.25 180.42 1rr9 s THR 673 N -3.14 4.01 0.28 0.00 2.01 0.49 -4.93 115.64 114.36 1rr9 s THR 673 Ca 0.09 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 1rr9 s THR 673 Cb 0.12 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.63 1rr9 s THR 673 CO 0.65 -0.25 1.45 -2.84 -0.69 0.00 0.00 174.62 172.94 1rr9 s PRO 674 N 4.02 4.24 0.03 4.92 0.02 -1.26 -4.60 135.00 142.37 1rr9 s PRO 674 Ca 0.62 2.36 0.02 0.00 0.02 0.00 0.00 61.00 64.02 1rr9 s PRO 674 Cb -0.23 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1rr9 s PRO 674 CO 0.22 -0.43 -0.07 0.15 -0.33 0.00 0.00 177.00 176.54 1rr9 s LYS 675 N -0.79 0.51 0.25 5.54 1.02 -0.55 -0.54 119.74 125.18 1rr9 s LYS 675 Ca 0.58 -0.60 -0.18 0.00 0.02 0.00 0.00 55.97 55.79 1rr9 s LYS 675 Cb -0.43 -0.34 0.07 0.00 -0.52 0.00 0.00 37.83 36.61 1rr9 s LYS 675 CO 0.48 0.07 0.88 -3.47 -0.92 0.00 0.00 175.35 172.39 1rr9 n ASP 676 N 1.88 -1.83 0.00 2.83 -0.08 -1.17 0.26 116.55 118.44 1rr9 n ASP 676 Ca -0.20 -2.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.98 1rr9 n ASP 676 Cb 0.56 3.01 0.00 0.00 2.34 0.00 0.00 41.12 47.02 1rr9 n ASP 676 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rr9 n GLY 677 N -0.61 0.11 0.67 0.27 0.00 -1.26 -3.85 105.19 100.51 1rr9 n GLY 677 Ca -0.04 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1rr9 n GLY 677 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rr9 n PRO 678 N 0.28 1.76 0.08 1.61 -0.04 -1.26 -3.40 135.00 134.04 1rr9 n PRO 678 Ca 0.00 -1.34 0.05 0.00 -0.04 0.00 0.00 63.50 62.18 1rr9 n PRO 678 Cb 0.00 -1.47 0.29 0.00 -0.04 0.00 0.00 33.50 32.27 1rr9 n PRO 678 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rr9 n ALA 679 N 0.55 0.95 0.32 0.55 0.00 -1.26 -1.12 120.51 120.50 1rr9 n ALA 679 Ca 0.14 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1rr9 n ALA 679 Cb 0.48 -1.09 0.25 0.00 0.00 0.00 0.00 19.45 19.10 1rr9 n ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rr9 n ALA 680 N -1.61 2.43 -0.26 0.00 0.00 -1.26 -0.55 120.51 119.26 1rr9 n ALA 680 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1rr9 n ALA 680 Cb 0.06 -0.92 0.13 0.00 0.00 0.00 0.00 19.45 18.71 1rr9 n ALA 680 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rr9 h GLY 681 N 4.61 1.10 2.00 0.00 0.00 -1.09 -1.08 103.07 108.61 1rr9 h GLY 681 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1rr9 h GLY 681 CO 0.00 0.15 -0.38 0.16 0.00 0.00 0.00 176.54 176.46 1rr9 h ILE 682 N 0.73 0.74 -0.23 2.60 3.07 -1.73 -2.41 117.51 120.28 1rr9 h ILE 682 Ca 0.34 -1.75 -0.20 0.00 1.55 0.00 0.00 64.86 64.80 1rr9 h ILE 682 Cb 0.26 2.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1rr9 h ILE 682 CO -0.21 0.37 -0.63 0.00 -1.05 0.00 0.00 178.15 176.63 1rr9 h ALA 683 N 1.62 0.43 -0.55 0.16 0.00 -1.75 -1.45 119.26 117.72 1rr9 h ALA 683 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1rr9 h ALA 683 Cb 1.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1rr9 h ALA 683 CO 0.05 0.69 0.22 0.52 0.00 0.00 0.00 179.25 180.73 1rr9 h MET 684 N 0.60 0.82 -0.26 0.00 2.86 -1.06 0.33 114.93 118.22 1rr9 h MET 684 Ca -0.01 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1rr9 h MET 684 Cb 1.24 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1rr9 h MET 684 CO 0.13 0.71 0.09 0.00 1.06 0.00 0.00 176.91 178.91 1rr9 h THR 686 N 0.27 1.08 -0.57 0.00 2.02 -1.07 -0.63 112.91 113.99 1rr9 h THR 686 Ca 0.09 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1rr9 h THR 686 Cb 0.22 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1rr9 h THR 686 CO -0.00 0.07 0.25 0.00 0.37 0.00 0.00 175.52 176.21 1rr9 h ALA 687 N 1.06 0.74 -0.25 6.16 0.00 -0.13 -1.75 119.26 125.08 1rr9 h ALA 687 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1rr9 h ALA 687 Cb -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1rr9 h ALA 687 CO -0.02 -0.14 0.05 -0.07 0.00 0.00 0.00 179.25 179.08 1rr9 h LEU 688 N 0.46 0.40 -0.59 0.00 3.38 -0.65 -2.43 115.31 115.88 1rr9 h LEU 688 Ca 0.28 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1rr9 h LEU 688 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1rr9 h LEU 688 CO -0.24 0.54 0.38 0.58 0.09 0.00 0.00 178.44 179.79 1rr9 h VAL 689 N 0.23 1.11 -0.70 1.22 2.07 -0.85 -1.88 116.25 117.46 1rr9 h VAL 689 Ca 0.08 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1rr9 h VAL 689 Cb 0.31 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1rr9 h VAL 689 CO 0.00 0.14 0.45 -1.28 0.02 0.00 0.00 177.57 176.90 1rr9 h SER 690 N 0.76 0.81 -0.35 0.57 0.87 -1.25 -1.62 113.55 113.33 1rr9 h SER 690 Ca 0.23 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1rr9 h SER 690 Cb -0.04 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1rr9 h SER 690 CO -0.07 0.60 -0.20 0.00 -0.53 0.00 0.00 176.83 176.63 1rr9 h LEU 692 N 0.54 0.00 -0.25 0.00 4.07 -1.11 -3.34 115.31 115.22 1rr9 h LEU 692 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1rr9 h LEU 692 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1rr9 h LEU 692 CO 0.06 0.00 -0.26 0.35 -1.08 0.00 0.00 178.44 177.51 1rr9 n THR 693 N -2.86 0.00 -0.85 0.22 -2.24 -0.63 -4.91 114.28 103.00 1rr9 n THR 693 Ca 0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1rr9 n THR 693 Cb 0.47 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1rr9 n THR 693 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rr9 n GLY 694 N 1.02 0.82 3.57 3.38 0.00 -0.13 -4.96 105.19 108.88 1rr9 n GLY 694 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1rr9 n GLY 694 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rr9 s ASN 695 N -2.79 6.06 0.82 1.61 3.04 -1.16 -4.95 114.94 117.56 1rr9 s ASN 695 Ca 0.00 0.15 -0.12 0.00 0.04 0.00 0.00 52.86 52.93 1rr9 s ASN 695 Cb 0.00 -2.55 0.09 0.00 -1.54 0.00 0.00 41.25 37.25 1rr9 s ASN 695 CO 0.00 -1.79 1.17 -2.16 -3.04 0.00 0.00 177.10 171.28 1rr9 s PRO 696 N 5.69 1.62 0.16 0.43 0.04 -1.26 -4.46 135.00 137.22 1rr9 s PRO 696 Ca 0.50 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 1rr9 s PRO 696 Cb -0.10 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1rr9 s PRO 696 CO 0.23 -2.20 0.40 0.14 0.04 0.00 0.00 177.00 175.61 1rr9 s VAL 697 N -2.36 5.14 0.50 -0.36 -7.23 -0.87 -1.26 120.40 113.95 1rr9 s VAL 697 Ca 0.70 0.06 -0.22 0.00 -1.81 0.00 0.00 61.98 60.71 1rr9 s VAL 697 Cb -0.25 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 32.99 1rr9 s VAL 697 CO 0.52 -0.00 1.18 -0.13 -0.31 0.00 0.00 175.10 176.36 1rr9 s ARG 698 N -2.75 3.56 0.44 4.82 0.52 0.60 -4.43 118.95 121.70 1rr9 s ARG 698 Ca 0.42 1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 57.22 1rr9 s ARG 698 Cb -0.12 -2.27 -0.10 0.00 0.52 0.00 0.00 34.95 32.98 1rr9 s ARG 698 CO 0.25 -0.72 0.93 0.00 0.02 0.00 0.00 175.30 175.77 1rr9 s ALA 699 N -1.58 3.09 -1.10 2.13 0.00 -1.26 -3.95 121.76 119.08 1rr9 s ALA 699 Ca 0.67 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1rr9 s ALA 699 Cb -0.29 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1rr9 s ALA 699 CO 0.34 0.07 0.00 -0.25 0.00 0.00 0.00 175.76 175.92 1rr9 n ASP 700 N -0.84 -4.04 -4.26 0.00 8.00 -1.26 -4.87 116.55 109.28 1rr9 n ASP 700 Ca 0.06 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.26 1rr9 n ASP 700 Cb 0.54 -3.23 -0.16 0.00 -0.02 0.00 0.00 41.12 38.25 1rr9 n ASP 700 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rr9 s VAL 701 N -2.64 1.85 0.02 2.53 0.11 -1.25 0.04 120.40 121.07 1rr9 s VAL 701 Ca 0.00 -1.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1rr9 s VAL 701 Cb 0.00 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 1rr9 s VAL 701 CO 0.00 0.52 0.04 0.00 -3.33 0.00 0.00 175.10 172.34 1rr9 s ALA 702 N -0.50 0.00 0.02 1.54 0.00 -0.44 -4.24 121.76 118.16 1rr9 s ALA 702 Ca 0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1rr9 s ALA 702 Cb -0.10 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1rr9 s ALA 702 CO -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 175.76 175.52 1rr9 s MET 703 N -2.03 0.37 0.01 0.00 0.23 -0.82 -0.96 119.30 116.10 1rr9 s MET 703 Ca -0.10 -0.62 0.00 0.00 -1.03 0.00 0.00 55.69 53.94 1rr9 s MET 703 Cb -0.05 0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 33.38 1rr9 s MET 703 CO -0.02 -0.07 -0.01 -0.08 -2.03 0.00 0.00 175.02 172.80 1rr9 s THR 704 N -1.67 0.08 0.00 3.16 -1.32 -0.66 -0.81 115.64 114.43 1rr9 s THR 704 Ca -0.14 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1rr9 s THR 704 Cb -0.08 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.79 1rr9 s THR 704 CO -0.01 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1rr9 n GLY 705 N 2.60 4.28 3.77 6.08 0.00 0.29 -3.57 105.19 118.65 1rr9 n GLY 705 Ca -0.16 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1rr9 n GLY 705 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rr9 s GLU 706 N -2.59 4.41 0.03 1.61 2.12 -0.88 -2.42 118.70 120.98 1rr9 s GLU 706 Ca 0.00 1.57 0.06 0.00 0.36 0.00 0.00 54.97 56.96 1rr9 s GLU 706 Cb 0.00 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 1rr9 s GLU 706 CO 0.00 0.07 -0.16 -1.50 -0.54 0.00 0.00 175.26 173.12 1rr9 s ILE 707 N -1.48 2.91 0.30 -3.70 2.07 -1.26 -0.32 121.20 119.72 1rr9 s ILE 707 Ca 0.52 -1.12 0.09 0.00 -1.41 0.00 0.00 60.65 58.73 1rr9 s ILE 707 Cb -0.25 -2.23 -0.05 0.00 0.13 0.00 0.00 42.46 40.07 1rr9 s ILE 707 CO 0.31 0.35 0.03 0.42 -1.91 0.00 0.00 174.94 174.14 1rr9 s THR 708 N -0.93 3.15 0.45 4.00 -4.23 -0.96 -4.92 115.64 112.20 1rr9 s THR 708 Ca 0.15 -1.89 0.28 0.00 -1.18 0.00 0.00 61.69 59.05 1rr9 s THR 708 Cb -0.11 -2.84 0.31 0.00 1.34 0.00 0.00 72.50 71.20 1rr9 s THR 708 CO 0.05 -0.30 2.11 -0.07 -0.54 0.00 0.00 174.62 175.88 1rr9 h LEU 709 N 1.81 0.00 0.00 4.79 3.38 -1.90 -1.15 115.31 122.24 1rr9 h LEU 709 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rr9 h LEU 709 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1rr9 h LEU 709 CO 0.62 0.09 0.00 -2.11 0.09 0.00 0.00 178.44 177.13 1rr9 n ARG 710 N -3.67 0.80 -0.76 1.13 1.85 -1.26 -4.78 116.66 109.97 1rr9 n ARG 710 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1rr9 n ARG 710 Cb 0.20 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 1rr9 n ARG 710 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rr9 n GLY 711 N 0.96 0.64 3.76 2.89 0.00 -0.43 -5.00 105.19 108.01 1rr9 n GLY 711 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1rr9 n GLY 711 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rr9 s GLN 712 N -0.24 4.73 -0.34 1.61 2.00 -1.26 -1.31 119.66 124.86 1rr9 s GLN 712 Ca 0.00 1.37 -0.13 0.00 -2.00 0.00 0.00 55.36 54.61 1rr9 s GLN 712 Cb 0.00 -3.17 -0.02 0.00 0.80 0.00 0.00 33.01 30.63 1rr9 s GLN 712 CO 0.00 0.48 0.24 0.08 -0.50 0.00 0.00 175.29 175.59 1rr9 s VAL 713 N -1.27 5.24 0.25 1.34 1.01 -0.22 -2.27 120.40 124.48 1rr9 s VAL 713 Ca 0.42 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1rr9 s VAL 713 Cb -0.24 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1rr9 s VAL 713 CO 0.29 -0.02 0.56 -0.76 0.00 0.00 0.00 175.10 175.17 1rr9 s LEU 714 N 1.71 4.12 0.67 3.92 1.43 0.56 -4.53 118.68 126.57 1rr9 s LEU 714 Ca 0.06 0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 1rr9 s LEU 714 Cb -0.17 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1rr9 s LEU 714 CO 0.10 -0.12 1.21 -2.16 0.23 0.00 0.00 176.35 175.61 1rr9 s PRO 715 N -3.05 2.53 0.44 1.29 0.04 -1.26 -2.06 135.00 132.92 1rr9 s PRO 715 Ca 0.47 1.79 0.04 0.00 0.04 0.00 0.00 61.00 63.34 1rr9 s PRO 715 Cb -0.11 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1rr9 s PRO 715 CO 0.24 -1.54 0.01 0.96 0.04 0.00 0.00 177.00 176.71 1rr9 s ILE 716 N -1.81 1.58 0.55 0.56 -5.25 -1.26 -4.58 121.20 110.99 1rr9 s ILE 716 Ca 0.76 -2.00 0.09 0.00 -0.99 0.00 0.00 60.65 58.51 1rr9 s ILE 716 Cb -0.30 -2.65 0.07 0.00 2.95 0.00 0.00 42.46 42.54 1rr9 s ILE 716 CO 0.40 0.00 0.72 -0.83 -1.79 0.00 0.00 174.94 173.44 1rr9 s GLY 717 N -3.75 1.83 -1.63 6.27 0.00 -1.26 -4.69 107.32 104.08 1rr9 s GLY 717 Ca 0.24 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1rr9 s GLY 717 CO 0.12 -1.70 0.52 0.61 0.00 0.00 0.00 173.10 172.65 1rr9 n GLY 718 N -2.14 -0.32 0.36 0.20 0.00 -1.26 -4.86 105.19 97.16 1rr9 n GLY 718 Ca 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 1rr9 n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rr9 h LEU 719 N -1.53 1.06 -0.74 0.99 5.85 -1.99 -2.52 115.31 116.43 1rr9 h LEU 719 Ca -0.62 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.18 1rr9 h LEU 719 Cb 1.39 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1rr9 h LEU 719 CO 0.75 0.75 0.38 0.50 -0.34 0.00 0.00 178.44 180.48 1rr9 h LYS 720 N 1.25 0.62 -0.12 1.25 3.64 -1.93 -1.13 116.57 120.14 1rr9 h LYS 720 Ca 0.36 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.48 1rr9 h LYS 720 Cb -0.08 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1rr9 h LYS 720 CO -0.10 0.41 -0.80 0.93 -2.27 0.00 0.00 179.45 177.63 1rr9 h GLU 721 N 0.64 0.70 0.39 1.90 3.07 -1.88 -2.77 114.58 116.63 1rr9 h GLU 721 Ca 0.37 -0.59 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 1rr9 h GLU 721 Cb 0.38 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1rr9 h GLU 721 CO -0.27 1.20 -0.28 0.87 -1.40 0.00 0.00 179.01 179.13 1rr9 h LYS 722 N 0.47 -0.63 -0.02 2.33 1.57 -0.95 -1.47 116.57 117.87 1rr9 h LYS 722 Ca -0.06 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rr9 h LYS 722 Cb 1.42 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.87 1rr9 h LYS 722 CO 0.16 -0.42 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.49 1rr9 h LEU 723 N -0.66 0.02 -0.78 2.94 4.07 -1.31 -0.66 115.31 118.93 1rr9 h LEU 723 Ca -0.04 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 1rr9 h LEU 723 Cb 0.56 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1rr9 h LEU 723 CO 0.01 0.08 -0.14 0.25 -1.08 0.00 0.00 178.44 177.57 1rr9 h LEU 724 N 0.03 0.76 -1.04 1.67 7.12 -1.14 -2.06 115.31 120.65 1rr9 h LEU 724 Ca 0.01 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.77 1rr9 h LEU 724 Cb 0.12 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1rr9 h LEU 724 CO 0.01 0.92 -0.02 0.00 -0.13 0.00 0.00 178.44 179.21 1rr9 h ALA 725 N 1.15 1.00 0.08 1.25 0.00 -0.09 -2.82 119.26 119.84 1rr9 h ALA 725 Ca 0.11 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1rr9 h ALA 725 Cb 0.63 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1rr9 h ALA 725 CO 0.04 0.03 -1.14 0.00 0.00 0.00 0.00 179.25 178.18 1rr9 h ALA 726 N 1.98 0.17 0.51 0.00 0.00 -0.77 -2.55 119.26 118.59 1rr9 h ALA 726 Ca -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 1rr9 h ALA 726 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rr9 h ALA 726 CO 0.00 0.83 -0.24 1.25 0.00 0.00 0.00 179.25 181.09 1rr9 h HIS 727 N 0.19 -0.63 -0.04 0.00 6.17 -1.16 0.56 115.15 120.23 1rr9 h HIS 727 Ca -0.13 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 60.95 1rr9 h HIS 727 Cb 1.81 0.21 -0.00 0.00 2.52 0.00 0.00 27.41 31.95 1rr9 h HIS 727 CO 0.08 -0.39 0.08 -0.09 0.71 0.00 0.00 177.93 178.31 1rr9 h ARG 728 N -0.69 0.00 -0.00 5.26 2.43 -1.64 0.25 114.38 119.99 1rr9 h ARG 728 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1rr9 h ARG 728 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1rr9 h ARG 728 CO 0.11 0.00 -0.07 0.41 -1.51 0.00 0.00 179.97 178.92 1rr9 n GLY 729 N -1.24 -1.31 2.09 2.80 0.00 -0.96 -4.92 105.19 101.65 1rr9 n GLY 729 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1rr9 n GLY 729 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rr9 n GLY 730 N 1.39 0.40 3.74 -0.02 0.00 0.90 -5.02 105.19 106.58 1rr9 n GLY 730 Ca 0.10 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1rr9 n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rr9 s ILE 731 N -2.18 4.26 -0.19 -0.61 -1.09 0.13 -4.84 121.20 116.68 1rr9 s ILE 731 Ca 0.00 2.06 -0.16 0.00 -2.23 0.00 0.00 60.65 60.32 1rr9 s ILE 731 Cb 0.00 -4.31 -0.11 0.00 -1.58 0.00 0.00 42.46 36.45 1rr9 s ILE 731 CO 0.00 0.40 -0.05 0.29 -1.23 0.00 0.00 174.94 174.35 1rr9 n LYS 732 N 2.13 0.52 -4.12 2.79 4.01 0.11 -4.72 118.16 118.88 1rr9 n LYS 732 Ca 0.00 0.48 -0.35 0.00 -0.51 0.00 0.00 58.31 57.94 1rr9 n LYS 732 Cb 0.48 -1.67 -0.09 0.00 -0.51 0.00 0.00 35.03 33.24 1rr9 n LYS 732 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1rr9 s THR 733 N -2.39 4.70 -0.08 -0.18 2.01 0.64 -0.46 115.64 119.87 1rr9 s THR 733 Ca -0.25 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1rr9 s THR 733 Cb 0.06 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1rr9 s THR 733 CO 0.43 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.12 1rr9 s VAL 734 N -0.21 0.90 -0.15 3.82 1.01 -0.89 -1.32 120.40 123.56 1rr9 s VAL 734 Ca 0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1rr9 s VAL 734 Cb -0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1rr9 s VAL 734 CO 0.02 0.33 0.22 -0.76 0.00 0.00 0.00 175.10 174.90 1rr9 s LEU 735 N 1.23 4.28 0.09 3.92 1.43 -0.14 0.16 118.68 129.65 1rr9 s LEU 735 Ca -0.05 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1rr9 s LEU 735 Cb -0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1rr9 s LEU 735 CO -0.02 0.20 -0.09 0.27 0.23 0.00 0.00 176.35 176.94 1rr9 s ILE 736 N 0.02 0.82 0.26 -0.59 -4.36 -0.59 -1.65 121.20 115.11 1rr9 s ILE 736 Ca 0.14 -1.68 -0.31 0.00 -0.26 0.00 0.00 60.65 58.55 1rr9 s ILE 736 Cb -0.12 -1.38 -0.13 0.00 1.25 0.00 0.00 42.46 42.08 1rr9 s ILE 736 CO 0.03 -0.64 1.42 -2.65 0.24 0.00 0.00 174.94 173.34 1rr9 n PRO 737 N 0.45 2.14 -0.23 0.37 -0.02 -1.23 -0.49 135.00 135.99 1rr9 n PRO 737 Ca -0.15 0.76 0.20 0.00 -2.02 0.00 0.00 63.50 62.29 1rr9 n PRO 737 Cb 0.58 -2.43 0.53 0.00 -0.02 0.00 0.00 33.50 32.17 1rr9 n PRO 737 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1rr9 h PHE 738 N 4.13 0.48 0.00 6.00 3.57 -0.56 0.15 116.94 130.71 1rr9 h PHE 738 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1rr9 h PHE 738 Cb 1.27 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1rr9 h PHE 738 CO 0.56 0.13 0.00 0.39 -2.23 0.00 0.00 178.31 177.16 1rr9 n GLU 739 N -4.49 0.91 -0.40 1.11 1.02 -1.26 -2.66 120.64 114.88 1rr9 n GLU 739 Ca 0.19 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1rr9 n GLU 739 Cb 0.71 -1.38 0.28 0.00 -0.02 0.00 0.00 31.44 31.04 1rr9 n GLU 739 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rr9 n ASN 740 N -0.88 3.92 -0.15 1.62 3.02 0.53 -4.41 115.26 118.92 1rr9 n ASN 740 Ca 0.17 -2.20 -0.06 0.00 -0.03 0.00 0.00 54.58 52.45 1rr9 n ASN 740 Cb 0.08 -0.45 0.11 0.00 -0.61 0.00 0.00 39.78 38.90 1rr9 n ASN 740 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1rr9 h LYS 741 N 3.45 0.90 0.00 3.52 3.64 -1.60 -2.17 116.57 124.30 1rr9 h LYS 741 Ca 0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1rr9 h LYS 741 Cb 1.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1rr9 h LYS 741 CO 0.08 0.90 -0.06 0.07 -2.27 0.00 0.00 179.45 178.17 1rr9 h ARG 742 N 0.83 0.00 0.00 1.90 0.11 -1.84 -2.39 114.38 112.99 1rr9 h ARG 742 Ca 0.15 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.10 1rr9 h ARG 742 Cb 0.51 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 1rr9 h ARG 742 CO 0.03 0.06 -0.62 -0.44 0.10 0.00 0.00 179.97 179.09 1rr9 h ASP 743 N 0.00 0.00 -0.22 0.08 3.45 -1.69 -3.21 116.42 114.84 1rr9 h ASP 743 Ca -0.00 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.52 1rr9 h ASP 743 Cb 0.44 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 1rr9 h ASP 743 CO 0.01 0.62 0.34 -0.07 -1.57 0.00 0.00 179.24 178.57 1rr9 h LEU 744 N 0.00 0.00 0.52 1.55 3.38 -1.39 -3.02 115.31 116.35 1rr9 h LEU 744 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1rr9 h LEU 744 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1rr9 h LEU 744 CO 0.08 0.00 -0.40 -0.33 0.09 0.00 0.00 178.44 177.88 1rr9 h GLU 745 N 0.00 -0.85 -0.19 1.13 3.07 -1.73 -2.58 114.58 113.42 1rr9 h GLU 745 Ca 0.10 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1rr9 h GLU 745 Cb 0.78 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1rr9 h GLU 745 CO -0.00 -0.57 0.00 0.39 -1.40 0.00 0.00 179.01 177.43 1rr9 n GLU 746 N -4.88 0.54 -3.40 2.33 4.71 -1.14 -4.74 120.64 114.07 1rr9 n GLU 746 Ca -0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.66 1rr9 n GLU 746 Cb 0.39 -1.10 -0.06 0.00 -1.01 0.00 0.00 31.44 29.66 1rr9 n GLU 746 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1rr9 s ILE 747 N -1.64 5.07 0.34 -3.67 -1.09 -0.97 -5.04 121.20 114.19 1rr9 s ILE 747 Ca 0.00 0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 59.06 1rr9 s ILE 747 Cb 0.00 -3.78 -0.12 0.00 -1.58 0.00 0.00 42.46 36.98 1rr9 s ILE 747 CO 0.00 0.46 1.35 -0.81 -1.23 0.00 0.00 174.94 174.71 1rr9 n PRO 748 N 2.65 2.24 -0.17 2.79 -0.04 -1.26 -4.87 135.00 136.33 1rr9 n PRO 748 Ca -0.11 0.79 -0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1rr9 n PRO 748 Cb 0.52 -2.41 0.08 0.00 -0.04 0.00 0.00 33.50 31.65 1rr9 n PRO 748 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1rr9 h ASP 749 N 2.86 0.02 -0.58 3.54 3.32 -1.96 -2.41 116.42 121.22 1rr9 h ASP 749 Ca -0.47 0.09 0.03 0.00 0.02 0.00 0.00 57.03 56.70 1rr9 h ASP 749 Cb 1.27 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.91 1rr9 h ASP 749 CO 0.65 0.03 0.35 -0.55 -1.72 0.00 0.00 179.24 178.00 1rr9 h ASN 750 N 0.26 0.56 0.76 6.45 7.08 -1.99 0.32 115.58 129.02 1rr9 h ASN 750 Ca 0.27 0.01 -0.04 0.00 -3.08 0.00 0.00 56.30 53.46 1rr9 h ASN 750 Cb 0.37 -0.11 0.01 0.00 -2.08 0.00 0.00 38.32 36.50 1rr9 h ASN 750 CO -0.34 0.39 -0.36 0.58 -2.08 0.00 0.00 177.43 175.61 1rr9 h VAL 751 N 0.68 0.25 -0.35 6.14 2.07 -1.84 -2.78 116.25 120.42 1rr9 h VAL 751 Ca 0.24 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1rr9 h VAL 751 Cb 0.04 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 29.98 1rr9 h VAL 751 CO -0.11 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 177.60 1rr9 h ILE 752 N -1.03 0.30 -0.01 4.57 1.08 -1.28 -3.20 117.51 117.94 1rr9 h ILE 752 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1rr9 h ILE 752 Cb 0.78 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1rr9 h ILE 752 CO 0.17 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.63 1rr9 n ALA 753 N -2.93 -0.01 0.24 1.87 0.00 0.11 0.73 120.51 120.53 1rr9 n ALA 753 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1rr9 n ALA 753 Cb 0.32 0.05 0.16 0.00 0.00 0.00 0.00 19.45 19.97 1rr9 n ALA 753 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rr9 n ASP 754 N -2.29 2.90 -4.37 0.00 4.64 -1.21 -4.85 116.55 111.37 1rr9 n ASP 754 Ca 0.00 -2.38 -0.32 0.00 -1.38 0.00 0.00 54.79 50.71 1rr9 n ASP 754 Cb 0.00 -0.58 -0.15 0.00 -1.04 0.00 0.00 41.12 39.36 1rr9 n ASP 754 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1rr9 s LEU 755 N -1.10 2.41 -1.10 -2.67 1.43 0.22 -4.78 118.68 113.10 1rr9 s LEU 755 Ca 0.22 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1rr9 s LEU 755 Cb 0.17 -1.47 0.29 0.00 0.03 0.00 0.00 46.19 45.21 1rr9 s LEU 755 CO 0.06 0.28 1.27 -0.67 0.23 0.00 0.00 176.35 177.52 1rr9 n ASP 756 N 2.72 5.89 -4.66 2.29 4.64 0.39 -4.96 116.55 122.86 1rr9 n ASP 756 Ca -0.17 -3.20 -0.43 0.00 -1.38 0.00 0.00 54.79 49.61 1rr9 n ASP 756 Cb 0.52 -1.33 -0.02 0.00 -1.04 0.00 0.00 41.12 39.25 1rr9 n ASP 756 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1rr9 s ILE 757 N -1.93 4.00 -0.38 5.18 1.01 -1.26 -2.09 121.20 125.72 1rr9 s ILE 757 Ca 0.31 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 62.14 1rr9 s ILE 757 Cb -0.04 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.75 1rr9 s ILE 757 CO -0.00 -0.11 0.15 -1.00 0.00 0.00 0.00 174.94 173.98 1rr9 s HIS 758 N 3.74 3.55 -0.24 3.97 3.76 0.12 -4.95 115.29 125.23 1rr9 s HIS 758 Ca 0.62 -2.36 -0.29 0.00 -0.15 0.00 0.00 55.06 52.88 1rr9 s HIS 758 Cb -0.26 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.45 1rr9 s HIS 758 CO 0.21 -0.94 1.09 -1.25 -0.85 0.00 0.00 174.74 173.00 1rr9 s PRO 759 N 1.14 4.20 0.23 8.40 0.04 -1.26 -1.54 135.00 146.22 1rr9 s PRO 759 Ca 0.06 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.51 1rr9 s PRO 759 Cb -0.22 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1rr9 s PRO 759 CO -0.04 -0.72 0.04 0.14 0.04 0.00 0.00 177.00 176.47 1rr9 s VAL 760 N 3.38 3.77 -0.11 -0.36 -7.23 0.35 -4.63 120.40 115.58 1rr9 s VAL 760 Ca 0.46 -1.63 0.09 0.00 -1.81 0.00 0.00 61.98 59.09 1rr9 s VAL 760 Cb -0.15 -2.98 -0.13 0.00 0.56 0.00 0.00 36.38 33.67 1rr9 s VAL 760 CO 0.10 -0.28 0.02 0.29 -0.31 0.00 0.00 175.10 174.92 1rr9 n LYS 761 N -0.71 2.06 -4.41 4.82 5.02 -1.26 0.12 118.16 123.80 1rr9 n LYS 761 Ca -0.08 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 1rr9 n LYS 761 Cb 0.57 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 1rr9 n LYS 761 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rr9 s ARG 762 N -2.26 1.50 0.39 1.97 1.81 -1.26 -1.06 118.95 120.03 1rr9 s ARG 762 Ca -0.07 -1.67 0.18 0.00 -1.72 0.00 0.00 55.73 52.46 1rr9 s ARG 762 Cb 0.03 -1.45 0.79 0.00 -0.45 0.00 0.00 34.95 33.87 1rr9 s ARG 762 CO 0.44 0.26 1.80 0.97 -0.68 0.00 0.00 175.30 178.09 1rr9 h ILE 763 N 2.46 0.94 -0.39 1.52 6.09 -1.54 -3.01 117.51 123.58 1rr9 h ILE 763 Ca -0.39 -1.35 -0.02 0.00 -1.37 0.00 0.00 64.86 61.73 1rr9 h ILE 763 Cb 1.24 1.80 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 1rr9 h ILE 763 CO 0.60 0.34 0.17 -0.33 -3.07 0.00 0.00 178.15 175.87 1rr9 h GLU 764 N 0.00 0.57 -0.90 2.19 3.07 -1.96 -0.37 114.58 117.17 1rr9 h GLU 764 Ca -0.00 -0.09 0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1rr9 h GLU 764 Cb 0.77 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.51 1rr9 h GLU 764 CO 0.05 0.52 0.55 0.93 -1.40 0.00 0.00 179.01 179.66 1rr9 h GLU 765 N 0.49 0.93 0.21 2.33 5.08 -1.95 -1.16 114.58 120.50 1rr9 h GLU 765 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1rr9 h GLU 765 Cb 0.15 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1rr9 h GLU 765 CO -0.01 0.61 -0.10 0.28 -1.00 0.00 0.00 179.01 178.79 1rr9 h VAL 766 N 0.95 0.87 -0.25 3.13 2.07 -1.35 -0.43 116.25 121.25 1rr9 h VAL 766 Ca 0.42 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1rr9 h VAL 766 Cb 0.30 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1rr9 h VAL 766 CO -0.22 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.39 1rr9 h LEU 767 N -0.53 -0.16 -1.07 2.57 3.38 -0.73 0.50 115.31 119.27 1rr9 h LEU 767 Ca -0.03 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1rr9 h LEU 767 Cb 0.40 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1rr9 h LEU 767 CO 0.05 -0.05 0.32 0.00 0.09 0.00 0.00 178.44 178.85 1rr9 h THR 768 N 0.04 1.22 0.03 0.22 1.03 -1.22 -0.06 112.91 114.18 1rr9 h THR 768 Ca 0.12 -0.63 -0.24 0.00 -0.01 0.00 0.00 66.41 65.64 1rr9 h THR 768 Cb 0.17 0.36 0.01 0.00 -1.07 0.00 0.00 68.15 67.61 1rr9 h THR 768 CO -0.22 0.26 -1.03 -0.07 -0.01 0.00 0.00 175.52 174.45 1rr9 h LEU 769 N 0.97 0.59 0.17 0.00 3.38 -0.46 -3.38 115.31 116.58 1rr9 h LEU 769 Ca 0.24 -0.50 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 1rr9 h LEU 769 Cb 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rr9 h LEU 769 CO -0.03 1.31 -1.76 0.00 0.09 0.00 0.00 178.44 178.06 1rr9 h ALA 770 N 0.64 0.22 -2.35 1.53 0.00 0.09 -3.47 119.26 115.91 1rr9 h ALA 770 Ca -0.10 -1.18 -0.49 0.00 0.00 0.00 0.00 54.91 53.13 1rr9 h ALA 770 Cb 1.68 0.47 0.07 0.00 0.00 0.00 0.00 17.79 20.01 1rr9 h ALA 770 CO 0.18 1.09 0.38 -0.51 0.00 0.00 0.00 179.25 180.39 1rr9 s LEU 771 N -7.20 3.48 -0.13 0.00 1.43 -0.05 -0.29 118.68 115.92 1rr9 s LEU 771 Ca -0.16 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.58 1rr9 s LEU 771 Cb 0.06 -4.53 -0.25 0.00 0.03 0.00 0.00 46.19 41.49 1rr9 s LEU 771 CO 0.84 -1.19 0.49 1.56 0.23 0.00 0.00 176.35 178.28 1rr9 h GLN 772 N 0.39 0.17 -7.11 1.70 4.20 -1.47 -3.43 115.11 109.56 1rr9 h GLN 772 Ca -0.47 -0.29 -0.46 0.00 0.06 0.00 0.00 58.65 57.50 1rr9 h GLN 772 Cb 1.22 0.11 0.06 0.00 0.30 0.00 0.00 27.48 29.17 1rr9 h GLN 772 CO 0.57 1.14 0.13 -0.80 -0.67 0.00 0.00 178.83 179.20 1rr9 s ASN 773 N -6.92 5.15 -0.41 1.46 0.02 -1.26 -4.99 114.94 107.99 1rr9 s ASN 773 Ca -0.22 0.37 -0.27 0.00 -1.02 0.00 0.00 52.86 51.72 1rr9 s ASN 773 Cb 0.04 -1.19 -0.03 0.00 0.02 0.00 0.00 41.25 40.09 1rr9 s ASN 773 CO 0.72 -1.32 1.95 -1.61 0.02 0.00 0.00 177.10 176.86 1rr9 s GLU 774 N -5.03 2.94 0.00 -0.60 8.01 -1.26 -5.00 118.70 117.77 1rr9 s GLU 774 Ca 0.57 1.28 0.00 0.00 0.01 0.00 0.00 54.97 56.83 1rr9 s GLU 774 Cb -0.11 -4.32 0.00 0.00 -4.31 0.00 0.00 34.13 25.39 1rr9 s GLU 774 CO 0.43 -2.33 0.04 -2.30 0.01 0.00 0.00 175.26 171.11