#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 5.37 0.00 5.15 -7.23 -1.26 -2.06 120.40 120.36 1rr9 s VAL 595 Ca 0.00 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1rr9 s VAL 595 Cb 0.00 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1rr9 s VAL 595 CO 0.00 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1rr9 n GLY 596 N 2.41 0.75 3.08 2.32 0.00 -1.26 -4.90 105.19 107.59 1rr9 n GLY 596 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.47 2.33 -0.00 1.61 -1.52 -1.26 -1.44 119.66 118.91 1rr9 s GLN 597 Ca 0.00 -0.61 0.01 0.00 -1.95 0.00 0.00 55.36 52.81 1rr9 s GLN 597 Cb 0.00 -1.94 -0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1rr9 s GLN 597 CO 0.00 -0.03 -0.03 0.08 -0.25 0.00 0.00 175.29 175.06 1rr9 s VAL 598 N 0.89 0.22 -0.09 1.09 1.01 -0.69 -4.68 120.40 118.14 1rr9 s VAL 598 Ca -0.08 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1rr9 s VAL 598 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1rr9 s VAL 598 CO -0.00 0.06 0.57 -0.89 0.00 0.00 0.00 175.10 174.84 1rr9 s THR 599 N -0.03 5.12 0.27 3.92 2.01 -1.26 -0.53 115.64 125.14 1rr9 s THR 599 Ca 0.01 1.16 0.05 0.00 0.31 0.00 0.00 61.69 63.21 1rr9 s THR 599 Cb -0.01 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 1rr9 s THR 599 CO -0.00 0.30 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.38 1rr9 s GLY 600 N 0.65 1.78 -0.26 4.40 0.00 0.16 -2.43 107.32 111.62 1rr9 s GLY 600 Ca 0.31 -1.89 0.01 0.00 0.00 0.00 0.00 44.72 43.15 1rr9 s GLY 600 CO 0.14 -1.78 -0.01 1.08 0.00 0.00 0.00 173.10 172.52 1rr9 s LEU 601 N -3.41 2.89 0.24 0.66 1.02 -0.52 -0.36 118.68 119.20 1rr9 s LEU 601 Ca 0.30 -1.42 -0.02 0.00 0.02 0.00 0.00 54.13 53.01 1rr9 s LEU 601 Cb 0.05 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 45.03 1rr9 s LEU 601 CO 0.11 -0.29 0.24 0.00 0.02 0.00 0.00 176.35 176.44 1rr9 s ALA 602 N 1.35 1.00 0.43 4.21 0.00 -1.14 -4.53 121.76 123.07 1rr9 s ALA 602 Ca -0.00 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.11 1rr9 s ALA 602 Cb -0.19 1.33 -0.08 0.00 0.00 0.00 0.00 23.12 24.18 1rr9 s ALA 602 CO -0.10 -0.66 1.27 -0.46 0.00 0.00 0.00 175.76 175.81 1rr9 s TRP 603 N -3.94 2.80 -0.08 0.00 -0.00 -1.23 -4.48 118.94 112.01 1rr9 s TRP 603 Ca 0.36 1.44 -0.12 0.00 -0.00 0.00 0.00 56.10 57.78 1rr9 s TRP 603 Cb 0.04 -3.60 0.03 0.00 -0.00 0.00 0.00 33.47 29.94 1rr9 s TRP 603 CO 0.15 -1.99 0.31 -0.08 -0.00 0.00 0.00 176.95 175.34 1rr9 s THR 604 N -1.33 0.02 0.04 5.86 -1.32 -1.26 -3.05 115.64 114.60 1rr9 s THR 604 Ca 0.59 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.76 1rr9 s THR 604 Cb -0.36 -0.51 -0.06 0.00 -1.51 0.00 0.00 72.50 70.07 1rr9 s THR 604 CO 0.45 -0.10 1.22 -0.08 -2.21 0.00 0.00 174.62 173.90 1rr9 h GLU 605 N 5.03 -0.28 0.16 7.08 4.81 -1.83 -3.29 114.58 126.25 1rr9 h GLU 605 Ca -0.27 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1rr9 h GLU 605 Cb 1.18 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1rr9 h GLU 605 CO 0.34 -0.19 -0.15 -0.39 -0.73 0.00 0.00 179.01 177.89 1rr9 h VAL 606 N -0.29 0.00 0.00 0.32 -1.51 -1.98 -3.48 116.25 109.30 1rr9 h VAL 606 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1rr9 h VAL 606 Cb 0.30 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.46 1rr9 h VAL 606 CO -0.12 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.83 1rr9 n GLY 607 N -1.16 0.13 3.57 5.19 0.00 -1.24 -5.08 105.19 106.59 1rr9 n GLY 607 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1rr9 n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rr9 s GLY 608 N 0.00 0.97 0.03 -0.02 0.00 -1.26 -4.80 107.32 102.24 1rr9 s GLY 608 Ca 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 44.72 42.56 1rr9 s GLY 608 CO 0.00 2.99 1.27 1.22 0.00 0.00 0.00 173.10 178.58 1rr9 n ASP 609 N 10.60 0.07 -4.56 1.64 10.43 -1.26 -4.38 116.55 129.08 1rr9 n ASP 609 Ca 0.40 0.52 -0.36 0.00 2.57 0.00 0.00 54.79 57.93 1rr9 n ASP 609 Cb 0.48 -0.54 -0.04 0.00 1.84 0.00 0.00 41.12 42.87 1rr9 n ASP 609 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1rr9 s LEU 610 N -3.17 3.40 0.13 0.64 1.43 -1.26 -2.90 118.68 116.94 1rr9 s LEU 610 Ca 0.03 -1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 51.73 1rr9 s LEU 610 Cb 0.05 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 1rr9 s LEU 610 CO 0.14 -1.98 0.42 -0.76 0.23 0.00 0.00 176.35 174.41 1rr9 s LEU 611 N 6.95 4.29 -0.39 1.79 1.43 0.51 -4.90 118.68 128.35 1rr9 s LEU 611 Ca 0.56 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 1rr9 s LEU 611 Cb -0.02 -3.21 0.10 0.00 0.03 0.00 0.00 46.19 43.09 1rr9 s LEU 611 CO -0.04 0.09 0.18 -0.89 0.23 0.00 0.00 176.35 175.92 1rr9 s THR 612 N -1.55 3.26 0.16 5.49 2.01 -1.26 0.39 115.64 124.14 1rr9 s THR 612 Ca 0.38 -1.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.12 1rr9 s THR 612 Cb -0.13 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 1rr9 s THR 612 CO 0.21 -0.61 1.05 -0.63 -0.69 0.00 0.00 174.62 173.94 1rr9 s ILE 613 N 1.16 4.08 0.16 1.82 1.09 0.31 -3.94 121.20 125.88 1rr9 s ILE 613 Ca 0.07 1.78 0.11 0.00 -1.10 0.00 0.00 60.65 61.50 1rr9 s ILE 613 Cb -0.22 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.00 1rr9 s ILE 613 CO -0.04 0.30 -0.24 -1.61 -0.10 0.00 0.00 174.94 173.25 1rr9 s GLU 614 N -0.26 1.42 -0.15 2.79 2.02 0.10 -1.70 118.70 122.93 1rr9 s GLU 614 Ca 0.48 -1.43 -0.14 0.00 0.02 0.00 0.00 54.97 53.91 1rr9 s GLU 614 Cb -0.27 -1.75 0.04 0.00 0.10 0.00 0.00 34.13 32.25 1rr9 s GLU 614 CO 0.33 0.39 0.40 0.95 0.02 0.00 0.00 175.26 177.35 1rr9 s THR 615 N -1.50 -0.00 -0.02 3.63 -4.23 -0.52 -1.10 115.64 111.90 1rr9 s THR 615 Ca 0.17 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1rr9 s THR 615 Cb -0.08 -0.56 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 1rr9 s THR 615 CO 0.08 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.98 1rr9 s ALA 616 N 0.26 1.53 -0.39 3.99 0.00 0.55 -4.75 121.76 122.95 1rr9 s ALA 616 Ca -0.00 -0.78 0.12 0.00 0.00 0.00 0.00 51.96 51.29 1rr9 s ALA 616 Cb -0.03 -0.40 0.38 0.00 0.00 0.00 0.00 23.12 23.07 1rr9 s ALA 616 CO -0.00 0.36 0.85 0.00 0.00 0.00 0.00 175.76 176.97 1rr9 s VAL 618 N -3.14 2.59 0.24 0.00 -7.23 -1.12 -4.68 120.40 107.07 1rr9 s VAL 618 Ca 0.39 0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.45 1rr9 s VAL 618 Cb 0.37 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1rr9 s VAL 618 CO -0.07 -0.25 1.40 -2.16 -0.31 0.00 0.00 175.10 173.71 1rr9 s PRO 619 N -4.91 4.30 0.00 4.82 0.04 -1.26 -0.72 135.00 137.27 1rr9 s PRO 619 Ca 0.64 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1rr9 s PRO 619 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1rr9 s PRO 619 CO 0.57 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.66 1rr9 n GLY 620 N 2.13 3.78 0.22 0.56 0.00 -0.98 -4.51 105.19 106.38 1rr9 n GLY 620 Ca 0.06 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 0.87 -0.18 1.61 4.76 -1.26 -3.84 118.16 120.12 1rr9 n LYS 621 Ca 0.00 -1.73 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 1rr9 n LYS 621 Cb 0.00 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1rr9 n LYS 621 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rr9 n GLY 622 N -0.70 1.32 3.67 0.72 0.00 -0.34 -4.65 105.19 105.22 1rr9 n GLY 622 Ca 0.07 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1rr9 n GLY 622 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rr9 s LYS 623 N -0.70 4.19 -0.23 1.61 2.20 -1.22 -4.91 119.74 120.68 1rr9 s LYS 623 Ca 0.00 0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 1rr9 s LYS 623 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1rr9 s LYS 623 CO 0.00 -0.05 0.11 -0.51 -0.36 0.00 0.00 175.35 174.55 1rr9 s LEU 624 N 1.32 3.87 -0.07 5.43 1.43 -1.26 -0.00 118.68 129.41 1rr9 s LEU 624 Ca 0.21 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.26 1rr9 s LEU 624 Cb -0.15 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1rr9 s LEU 624 CO 0.08 0.07 0.20 0.28 0.23 0.00 0.00 176.35 177.22 1rr9 s THR 625 N 1.03 0.01 -0.11 5.49 -1.32 0.09 -4.99 115.64 115.84 1rr9 s THR 625 Ca 0.06 -0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.39 1rr9 s THR 625 Cb -0.14 -0.32 0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1rr9 s THR 625 CO 0.04 -0.05 0.26 -0.72 -2.21 0.00 0.00 174.62 171.93 1rr9 s TYR 626 N -0.11 -0.35 0.44 9.09 -0.85 -1.26 -1.00 117.35 123.32 1rr9 s TYR 626 Ca -0.02 0.82 0.03 0.00 -0.52 0.00 0.00 57.07 57.38 1rr9 s TYR 626 Cb -0.02 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 1rr9 s TYR 626 CO 0.01 -0.24 0.11 0.95 -1.52 0.00 0.00 175.55 174.86 1rr9 s THR 627 N 1.29 0.64 0.00 -3.49 -4.23 -0.40 -4.94 115.64 104.51 1rr9 s THR 627 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1rr9 s THR 627 Cb -0.10 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1rr9 s THR 627 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1rr9 n GLY 628 N -1.02 1.97 3.62 3.99 0.00 -1.26 -2.82 105.19 109.67 1rr9 n GLY 628 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.05 -4.74 1.61 7.64 -1.22 -4.57 113.62 107.30 1rr9 n SER 629 Ca 0.00 -0.61 -0.41 0.00 1.01 0.00 0.00 58.87 58.87 1rr9 n SER 629 Cb 0.00 -4.83 -0.05 0.00 -1.01 0.00 0.00 64.21 58.33 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 -7.10 4.48 0.96 -3.43 1.43 -1.26 -1.46 118.68 112.30 1rr9 s LEU 630 Ca 0.46 1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 55.06 1rr9 s LEU 630 Cb -0.21 -3.43 0.18 0.00 0.03 0.00 0.00 46.19 42.76 1rr9 s LEU 630 CO 0.75 -0.02 1.22 -0.83 0.23 0.00 0.00 176.35 177.70 1rr9 s GLY 631 N -0.08 1.66 0.15 -3.19 0.00 0.14 -4.81 107.32 101.19 1rr9 s GLY 631 Ca 0.43 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1rr9 s GLY 631 CO 0.27 -0.21 1.75 0.83 0.00 0.00 0.00 173.10 175.75 1rr9 h GLU 632 N -1.66 0.67 -0.76 2.90 5.08 -1.97 -1.44 114.58 117.40 1rr9 h GLU 632 Ca -0.46 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1rr9 h GLU 632 Cb 1.29 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1rr9 h GLU 632 CO 0.48 0.54 0.41 0.28 -1.00 0.00 0.00 179.01 179.73 1rr9 h VAL 633 N 0.63 1.22 -0.14 3.13 2.07 -1.94 -0.52 116.25 120.71 1rr9 h VAL 633 Ca 0.17 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 1rr9 h VAL 633 Cb 0.07 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1rr9 h VAL 633 CO -0.03 0.25 -0.54 -0.03 0.02 0.00 0.00 177.57 177.25 1rr9 h MET 634 N 1.06 0.41 -0.46 1.57 1.85 -1.48 -0.91 114.93 116.97 1rr9 h MET 634 Ca 0.27 -0.25 -0.05 0.00 -0.61 0.00 0.00 59.70 59.05 1rr9 h MET 634 Cb 0.03 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1rr9 h MET 634 CO -0.04 0.84 0.08 1.96 -0.40 0.00 0.00 176.91 179.35 1rr9 h GLN 635 N 0.32 0.75 -0.55 0.39 4.20 -0.58 -2.42 115.11 117.21 1rr9 h GLN 635 Ca 0.01 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 1rr9 h GLN 635 Cb 1.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1rr9 h GLN 635 CO 0.09 0.77 0.13 0.93 -0.67 0.00 0.00 178.83 180.08 1rr9 h GLU 636 N 0.62 0.85 -0.25 1.46 5.08 -0.92 -1.88 114.58 119.53 1rr9 h GLU 636 Ca 0.14 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1rr9 h GLU 636 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1rr9 h GLU 636 CO 0.01 0.77 0.12 0.66 -1.00 0.00 0.00 179.01 179.56 1rr9 h SER 637 N 0.81 0.30 -0.06 1.42 4.64 -0.81 0.14 113.55 120.00 1rr9 h SER 637 Ca 0.18 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1rr9 h SER 637 Cb 0.31 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1rr9 h SER 637 CO -0.00 0.26 -0.40 0.40 -0.87 0.00 0.00 176.83 176.23 1rr9 h ILE 638 N 0.34 1.30 -0.45 0.95 2.04 -0.89 -1.62 117.51 119.19 1rr9 h ILE 638 Ca 0.09 -1.56 -0.11 0.00 1.00 0.00 0.00 64.86 64.28 1rr9 h ILE 638 Cb 0.05 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1rr9 h ILE 638 CO -0.01 0.49 -0.15 1.56 0.00 0.00 0.00 178.15 180.04 1rr9 h GLN 639 N 0.48 0.85 -0.06 2.37 4.20 -0.53 -0.74 115.11 121.67 1rr9 h GLN 639 Ca 0.04 -0.31 -0.22 0.00 0.06 0.00 0.00 58.65 58.22 1rr9 h GLN 639 Cb 0.90 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1rr9 h GLN 639 CO 0.08 0.94 -0.85 0.00 -0.67 0.00 0.00 178.83 178.33 1rr9 h ALA 640 N 1.07 0.40 -0.18 3.87 0.00 -1.08 -2.46 119.26 120.88 1rr9 h ALA 640 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rr9 h ALA 640 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rr9 h ALA 640 CO 0.05 0.75 0.12 0.00 0.00 0.00 0.00 179.25 180.17 1rr9 h ALA 641 N 0.72 0.23 -0.43 0.00 0.00 -1.12 0.35 119.26 119.01 1rr9 h ALA 641 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rr9 h ALA 641 Cb 1.46 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1rr9 h ALA 641 CO 0.16 -0.29 0.18 1.25 0.00 0.00 0.00 179.25 180.55 1rr9 h LEU 642 N 0.24 0.23 -1.32 0.00 6.46 -1.08 -1.46 115.31 118.38 1rr9 h LEU 642 Ca 0.07 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1rr9 h LEU 642 Cb -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1rr9 h LEU 642 CO -0.01 0.17 -0.01 0.74 -0.62 0.00 0.00 178.44 178.71 1rr9 h THR 643 N 0.37 1.18 -0.42 1.05 2.02 -1.12 -1.03 112.91 114.96 1rr9 h THR 643 Ca 0.19 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1rr9 h THR 643 Cb 0.15 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1rr9 h THR 643 CO -0.17 0.24 0.26 0.58 0.37 0.00 0.00 175.52 176.80 1rr9 h VAL 644 N 0.43 1.13 0.17 3.16 2.07 0.10 -0.69 116.25 122.62 1rr9 h VAL 644 Ca 0.09 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1rr9 h VAL 644 Cb 0.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1rr9 h VAL 644 CO 0.01 0.13 -0.08 0.58 0.02 0.00 0.00 177.57 178.23 1rr9 h VAL 645 N 0.55 0.86 -0.83 2.57 2.07 -0.72 -2.47 116.25 118.29 1rr9 h VAL 645 Ca 0.15 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1rr9 h VAL 645 Cb -0.01 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 1rr9 h VAL 645 CO -0.03 0.03 0.40 0.03 0.02 0.00 0.00 177.57 178.03 1rr9 h ARG 646 N -0.30 0.56 -0.43 1.57 3.08 -1.00 0.88 114.38 118.74 1rr9 h ARG 646 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1rr9 h ARG 646 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1rr9 h ARG 646 CO 0.04 0.37 0.05 0.00 -1.07 0.00 0.00 179.97 179.36 1rr9 h ALA 647 N 1.56 1.30 -0.54 0.04 0.00 -0.87 -2.84 119.26 117.91 1rr9 h ALA 647 Ca 0.45 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1rr9 h ALA 647 Cb 0.66 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 1rr9 h ALA 647 CO -0.38 0.49 0.15 0.54 0.00 0.00 0.00 179.25 180.05 1rr9 n ARG 648 N -4.28 2.67 0.18 0.00 1.74 -0.42 -4.77 116.66 111.78 1rr9 n ARG 648 Ca 0.02 -3.06 -0.12 0.00 -0.77 0.00 0.00 57.85 53.93 1rr9 n ARG 648 Cb 0.24 -1.99 -0.07 0.00 -1.02 0.00 0.00 32.46 29.62 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 1.64 -1.00 -0.86 7.54 0.00 -0.63 -0.14 119.26 125.81 1rr9 h ALA 649 Ca 0.25 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1rr9 h ALA 649 Cb 1.99 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 20.35 1rr9 h ALA 649 CO 0.56 -1.03 0.56 0.93 0.00 0.00 0.00 179.25 180.28 1rr9 h GLU 650 N -0.66 0.98 0.00 0.00 5.08 -1.85 0.17 114.58 118.30 1rr9 h GLU 650 Ca -0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1rr9 h GLU 650 Cb 0.58 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1rr9 h GLU 650 CO -0.07 0.65 -0.14 0.87 -1.00 0.00 0.00 179.01 179.31 1rr9 h LYS 651 N 1.01 0.00 -0.31 2.33 1.57 -1.81 -0.55 116.57 118.81 1rr9 h LYS 651 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1rr9 h LYS 651 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1rr9 h LYS 651 CO -0.12 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 1rr9 n LEU 652 N -4.16 2.52 -0.42 2.94 4.77 -0.09 -4.91 117.00 117.65 1rr9 n LEU 652 Ca -0.02 -1.11 -0.05 0.00 -0.03 0.00 0.00 56.01 54.79 1rr9 n LEU 652 Cb 0.22 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1rr9 n LEU 652 CO 0.34 0.55 -0.05 0.61 -1.33 0.00 0.00 177.39 177.51 1rr9 n GLY 653 N 1.30 0.77 3.88 -0.72 0.00 -0.21 -5.01 105.19 105.20 1rr9 n GLY 653 Ca 0.17 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.07 5.02 0.08 -0.61 1.01 0.41 -4.97 121.20 120.07 1rr9 s ILE 654 Ca 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 1rr9 s ILE 654 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 1rr9 s ILE 654 CO 0.00 -0.04 1.52 0.21 0.00 0.00 0.00 174.94 176.63 1rr9 s ASN 655 N -2.40 6.70 0.00 3.58 2.47 -1.26 -3.57 114.94 120.46 1rr9 s ASN 655 Ca 0.45 2.39 0.04 0.00 0.42 0.00 0.00 52.86 56.16 1rr9 s ASN 655 Cb -0.11 -2.57 0.22 0.00 -1.45 0.00 0.00 41.25 37.33 1rr9 s ASN 655 CO 0.23 -0.79 0.83 -0.81 -3.72 0.00 0.00 177.10 172.84 1rr9 n PRO 656 N 4.89 0.09 -1.01 0.43 -0.04 -1.26 -2.12 135.00 135.97 1rr9 n PRO 656 Ca 0.14 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.75 1rr9 n PRO 656 Cb 0.41 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.14 1.92 0.17 3.54 10.43 -1.26 -4.74 116.55 125.46 1rr9 n ASP 657 Ca 0.02 -3.45 0.03 0.00 2.57 0.00 0.00 54.79 53.96 1rr9 n ASP 657 Cb 0.02 -0.46 0.26 0.00 1.84 0.00 0.00 41.12 42.78 1rr9 n ASP 657 CO 0.00 0.00 0.00 2.19 -1.07 0.00 0.00 177.20 178.32 1rr9 h PHE 658 N 1.18 0.00 0.00 1.24 -5.15 -1.82 -3.08 116.94 109.32 1rr9 h PHE 658 Ca -0.01 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.76 1rr9 h PHE 658 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.42 1rr9 h PHE 658 CO 0.65 0.47 -0.00 0.10 -2.00 0.00 0.00 178.31 177.52 1rr9 h TYR 659 N 0.00 0.00 -0.01 6.09 -0.00 -1.85 -0.66 116.97 120.55 1rr9 h TYR 659 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1rr9 h TYR 659 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.72 1rr9 h TYR 659 CO 0.00 0.00 -0.11 -0.85 -0.00 0.00 0.00 178.16 177.20 1rr9 n GLU 660 N -3.12 1.44 -0.00 0.10 0.28 -1.17 -3.57 120.64 114.60 1rr9 n GLU 660 Ca -0.02 -0.75 0.01 0.00 -0.16 0.00 0.00 57.16 56.24 1rr9 n GLU 660 Cb 0.11 -1.09 0.01 0.00 1.43 0.00 0.00 31.44 31.90 1rr9 n GLU 660 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rr9 n LYS 661 N 0.03 -0.41 -4.09 3.44 4.76 -0.75 -3.91 118.16 117.22 1rr9 n LYS 661 Ca 0.04 -0.71 -0.11 0.00 -2.87 0.00 0.00 58.31 54.66 1rr9 n LYS 661 Cb 0.20 -1.05 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 1rr9 n LYS 661 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rr9 s ARG 662 N -0.26 0.62 -0.17 1.97 1.81 -0.33 -2.33 118.95 120.27 1rr9 s ARG 662 Ca 0.03 -1.01 -0.05 0.00 -1.72 0.00 0.00 55.73 52.98 1rr9 s ARG 662 Cb 0.02 -0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.37 1rr9 s ARG 662 CO 0.03 -0.01 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.12 1rr9 s ASP 663 N -2.29 5.01 -0.19 0.23 -0.00 0.11 -1.19 116.67 118.35 1rr9 s ASP 663 Ca -0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 52.55 52.41 1rr9 s ASP 663 Cb -0.02 -1.84 -0.02 0.00 -0.00 0.00 0.00 42.92 41.04 1rr9 s ASP 663 CO -0.03 0.15 -0.02 -0.63 -0.00 0.00 0.00 175.17 174.64 1rr9 s ILE 664 N 0.47 3.84 -0.13 0.77 -1.09 0.99 -2.78 121.20 123.26 1rr9 s ILE 664 Ca -0.01 -0.36 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1rr9 s ILE 664 Cb -0.14 -2.72 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1rr9 s ILE 664 CO 0.02 0.45 -0.09 -2.28 -1.23 0.00 0.00 174.94 171.81 1rr9 s HIS 665 N 0.85 1.73 -0.26 3.97 2.46 -0.05 -0.73 115.29 123.26 1rr9 s HIS 665 Ca -0.00 -0.96 -0.06 0.00 0.47 0.00 0.00 55.06 54.52 1rr9 s HIS 665 Cb -0.14 -1.35 -0.00 0.00 -0.13 0.00 0.00 32.58 30.95 1rr9 s HIS 665 CO 0.02 -0.58 0.04 0.08 -2.47 0.00 0.00 174.74 171.83 1rr9 s VAL 666 N 1.63 3.85 0.08 0.89 1.01 -0.17 -0.33 120.40 127.36 1rr9 s VAL 666 Ca 0.04 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1rr9 s VAL 666 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1rr9 s VAL 666 CO -0.09 0.24 -0.26 -2.28 0.00 0.00 0.00 175.10 172.71 1rr9 s HIS 667 N 1.51 2.22 -0.49 5.22 2.46 -0.26 -1.27 115.29 124.69 1rr9 s HIS 667 Ca 0.04 -0.40 0.03 0.00 0.47 0.00 0.00 55.06 55.20 1rr9 s HIS 667 Cb -0.16 -1.28 0.14 0.00 -0.13 0.00 0.00 32.58 31.16 1rr9 s HIS 667 CO 0.01 0.21 0.30 0.08 -2.47 0.00 0.00 174.74 172.86 1rr9 s VAL 668 N -0.93 1.65 0.13 0.89 1.01 -1.13 0.03 120.40 122.05 1rr9 s VAL 668 Ca 0.12 -2.94 -0.17 0.00 0.00 0.00 0.00 61.98 58.99 1rr9 s VAL 668 Cb -0.10 -2.14 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 1rr9 s VAL 668 CO 0.04 -0.94 0.32 -2.65 0.00 0.00 0.00 175.10 171.86 1rr9 n PRO 669 N 3.15 0.00 0.00 2.72 -0.02 -1.25 -4.29 135.00 135.30 1rr9 n PRO 669 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1rr9 n PRO 669 Cb 0.36 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 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 0.63 0.00 -0.32 -0.52 -0.58 -1.26 -4.81 120.64 113.77 1rr9 n GLU 670 Ca 0.11 0.00 0.29 0.00 -0.42 0.00 0.00 57.16 57.14 1rr9 n GLU 670 Cb 0.16 0.00 0.50 0.00 -0.57 0.00 0.00 31.44 31.53 1rr9 n GLU 670 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rr9 n GLY 671 N 0.00 -0.63 0.11 0.62 0.00 -1.26 0.50 105.19 104.53 1rr9 n GLY 671 Ca 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 1.39 0.54 -2.28 4.61 0.00 -1.93 -3.24 119.26 118.35 1rr9 h ALA 672 Ca 0.68 -0.66 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 1rr9 h ALA 672 Cb 2.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 1rr9 h ALA 672 CO -0.47 0.90 0.62 0.99 0.00 0.00 0.00 179.25 181.30 1rr9 s THR 673 N -2.87 4.55 0.38 0.00 2.01 0.18 -4.95 115.64 114.94 1rr9 s THR 673 Ca 0.02 1.84 -0.27 0.00 0.31 0.00 0.00 61.69 63.60 1rr9 s THR 673 Cb 0.09 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1rr9 s THR 673 CO 0.78 0.00 1.25 -2.84 -0.69 0.00 0.00 174.62 173.12 1rr9 s PRO 674 N 2.09 4.12 -0.06 4.92 0.02 -1.26 -4.51 135.00 140.31 1rr9 s PRO 674 Ca 0.52 2.05 -0.05 0.00 0.02 0.00 0.00 61.00 63.53 1rr9 s PRO 674 Cb -0.21 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.50 1rr9 s PRO 674 CO 0.20 -0.33 0.15 0.15 -0.33 0.00 0.00 177.00 176.84 1rr9 s LYS 675 N -2.11 0.17 0.28 5.54 1.02 -0.54 -2.34 119.74 121.76 1rr9 s LYS 675 Ca 0.54 0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.56 1rr9 s LYS 675 Cb -0.36 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1rr9 s LYS 675 CO 0.46 -0.02 0.65 0.34 -0.92 0.00 0.00 175.35 175.86 1rr9 s ASP 676 N 0.08 -0.16 0.00 2.83 2.15 -1.17 0.25 116.67 120.64 1rr9 s ASP 676 Ca -0.00 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 52.22 1rr9 s ASP 676 Cb -0.01 0.70 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1rr9 s ASP 676 CO 0.00 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 1rr9 n GLY 677 N -0.45 2.09 1.13 2.66 0.00 -1.26 -3.56 105.19 105.80 1rr9 n GLY 677 Ca -0.04 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 0.84 2.48 0.02 1.61 -0.04 -1.26 -3.25 135.00 135.41 1rr9 n PRO 678 Ca 0.00 -2.24 0.05 0.00 -0.04 0.00 0.00 63.50 61.27 1rr9 n PRO 678 Cb 0.00 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.46 1.37 0.15 0.55 0.00 -1.26 -1.92 120.51 120.85 1rr9 n ALA 679 Ca 0.19 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1rr9 n ALA 679 Cb 0.60 -1.17 0.21 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 -1.55 2.39 -0.25 0.00 0.00 -1.26 -0.30 120.51 119.54 1rr9 n ALA 680 Ca 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 53.44 52.46 1rr9 n ALA 680 Cb 0.10 -0.79 0.17 0.00 0.00 0.00 0.00 19.45 18.94 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 3.99 1.11 1.97 0.00 0.00 -1.39 0.48 103.07 109.24 1rr9 h GLY 681 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1rr9 h GLY 681 CO 0.00 -0.06 -0.73 0.16 0.00 0.00 0.00 176.54 175.91 1rr9 h ILE 682 N 0.47 1.51 -0.43 2.60 3.07 -1.77 -1.76 117.51 121.21 1rr9 h ILE 682 Ca 0.39 -2.46 -0.11 0.00 1.55 0.00 0.00 64.86 64.24 1rr9 h ILE 682 Cb 0.56 2.33 -0.02 0.00 -0.27 0.00 0.00 36.82 39.42 1rr9 h ILE 682 CO -0.37 0.70 -0.16 0.00 -1.05 0.00 0.00 178.15 177.28 1rr9 h ALA 683 N 1.25 0.91 -0.28 0.16 0.00 -1.66 -0.62 119.26 119.02 1rr9 h ALA 683 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1rr9 h ALA 683 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rr9 h ALA 683 CO 0.10 0.63 0.06 0.52 0.00 0.00 0.00 179.25 180.55 1rr9 h MET 684 N 0.72 0.45 -0.03 0.00 2.86 -0.68 0.56 114.93 118.82 1rr9 h MET 684 Ca 0.11 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rr9 h MET 684 Cb 0.67 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1rr9 h MET 684 CO 0.05 0.55 0.02 0.00 1.06 0.00 0.00 176.91 178.59 1rr9 h THR 686 N -0.01 0.00 -0.97 0.00 2.02 -0.99 0.29 112.91 113.24 1rr9 h THR 686 Ca 0.01 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.41 1rr9 h THR 686 Cb 0.06 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.38 1rr9 h THR 686 CO -0.00 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.51 1rr9 h ALA 687 N -0.95 2.07 -0.13 6.16 0.00 -0.82 0.59 119.26 126.19 1rr9 h ALA 687 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rr9 h ALA 687 Cb 0.87 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rr9 h ALA 687 CO -0.05 -0.41 -0.11 1.25 0.00 0.00 0.00 179.25 179.93 1rr9 h LEU 688 N 0.50 0.32 -0.50 0.00 5.85 -0.32 -1.70 115.31 119.46 1rr9 h LEU 688 Ca 0.53 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1rr9 h LEU 688 Cb 1.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1rr9 h LEU 688 CO -0.26 0.71 0.17 1.62 -0.34 0.00 0.00 178.44 180.34 1rr9 h VAL 689 N -0.07 1.23 -0.85 1.05 3.04 0.80 -2.68 116.25 118.77 1rr9 h VAL 689 Ca 0.02 -0.74 0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1rr9 h VAL 689 Cb 0.61 0.77 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 1rr9 h VAL 689 CO 0.03 0.27 0.55 -1.28 -1.01 0.00 0.00 177.57 176.13 1rr9 h SER 690 N 0.68 0.91 -0.23 3.17 0.87 -0.93 -2.12 113.55 115.90 1rr9 h SER 690 Ca 0.16 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1rr9 h SER 690 Cb 0.26 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1rr9 h SER 690 CO -0.01 0.63 0.12 0.00 -0.53 0.00 0.00 176.83 177.04 1rr9 n LEU 692 N -4.85 0.18 -0.00 0.00 4.77 -1.03 -3.62 117.00 112.45 1rr9 n LEU 692 Ca -0.03 0.53 0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1rr9 n LEU 692 Cb 0.09 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1rr9 n LEU 692 CO 0.35 -0.16 -0.37 0.35 -1.33 0.00 0.00 177.39 176.22 1rr9 n THR 693 N -1.68 0.00 -0.35 -5.08 -2.24 -0.81 -4.94 114.28 99.17 1rr9 n THR 693 Ca 0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1rr9 n THR 693 Cb 0.29 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.91 1.78 3.60 3.38 0.00 0.79 -4.99 105.19 111.67 1rr9 n GLY 694 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.36 5.92 1.01 1.61 3.84 -1.17 -4.91 114.94 117.89 1rr9 s ASN 695 Ca 0.00 1.41 -0.14 0.00 0.21 0.00 0.00 52.86 54.34 1rr9 s ASN 695 Cb 0.00 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.27 1rr9 s ASN 695 CO 0.00 -1.67 0.48 -2.65 -2.79 0.00 0.00 177.10 170.48 1rr9 n PRO 696 N 8.36 -0.88 -5.00 0.43 -0.02 -1.26 -4.58 135.00 132.06 1rr9 n PRO 696 Ca 0.23 -0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1rr9 n PRO 696 Cb 0.46 -1.93 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1rr9 n PRO 696 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rr9 s VAL 697 N -2.39 2.71 0.20 -1.45 1.01 -0.88 -0.07 120.40 119.53 1rr9 s VAL 697 Ca 0.59 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 1rr9 s VAL 697 Cb -0.20 -2.06 -0.13 0.00 0.00 0.00 0.00 36.38 34.00 1rr9 s VAL 697 CO 0.65 0.57 1.65 0.54 0.00 0.00 0.00 175.10 178.52 1rr9 n ARG 698 N 2.79 2.55 0.00 2.72 5.12 -0.14 -4.81 116.66 124.89 1rr9 n ARG 698 Ca -0.17 0.92 0.14 0.00 -1.93 0.00 0.00 57.85 56.81 1rr9 n ARG 698 Cb 0.52 -2.73 0.62 0.00 -1.16 0.00 0.00 32.46 29.72 1rr9 n ARG 698 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rr9 n ALA 699 N 3.53 2.75 0.56 7.54 0.00 -1.26 -3.42 120.51 130.20 1rr9 n ALA 699 Ca 0.15 -0.28 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1rr9 n ALA 699 Cb 0.33 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.55 1rr9 n ALA 699 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rr9 n ASP 700 N -0.86 2.58 -4.47 0.00 5.75 -1.26 -4.94 116.55 113.34 1rr9 n ASP 700 Ca 0.15 -1.76 -0.36 0.00 -0.01 0.00 0.00 54.79 52.82 1rr9 n ASP 700 Cb 0.27 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.18 1rr9 n ASP 700 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1rr9 s VAL 701 N -1.36 4.26 0.19 2.12 1.01 -1.22 -1.50 120.40 123.90 1rr9 s VAL 701 Ca 0.22 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1rr9 s VAL 701 Cb 0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1rr9 s VAL 701 CO 0.22 0.39 -0.00 0.00 0.00 0.00 0.00 175.10 175.70 1rr9 s ALA 702 N 1.23 3.18 0.03 5.51 0.00 0.43 -4.28 121.76 127.86 1rr9 s ALA 702 Ca 0.04 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 1rr9 s ALA 702 Cb -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1rr9 s ALA 702 CO 0.03 0.44 0.30 0.00 0.00 0.00 0.00 175.76 176.53 1rr9 s MET 703 N -3.08 0.78 -0.00 0.00 0.23 -1.02 -0.53 119.30 115.67 1rr9 s MET 703 Ca 0.28 -0.44 -0.13 0.00 -1.03 0.00 0.00 55.69 54.37 1rr9 s MET 703 Cb -0.09 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1rr9 s MET 703 CO 0.19 -0.24 0.26 -0.08 -2.03 0.00 0.00 175.02 173.12 1rr9 s THR 704 N -2.28 0.07 0.00 3.16 -1.32 -1.05 -1.44 115.64 112.77 1rr9 s THR 704 Ca -0.07 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1rr9 s THR 704 Cb -0.02 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1rr9 s THR 704 CO -0.02 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1rr9 n GLY 705 N 1.25 4.50 3.76 6.08 0.00 0.60 -4.07 105.19 117.31 1rr9 n GLY 705 Ca -0.22 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.77 4.58 0.10 1.61 2.12 -0.98 -2.70 118.70 119.68 1rr9 s GLU 706 Ca 0.00 1.73 0.07 0.00 0.36 0.00 0.00 54.97 57.13 1rr9 s GLU 706 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1rr9 s GLU 706 CO 0.00 0.18 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.32 1rr9 s ILE 707 N -1.24 3.48 0.31 -3.70 2.07 -1.26 0.01 121.20 120.86 1rr9 s ILE 707 Ca 0.46 -1.24 0.10 0.00 -1.41 0.00 0.00 60.65 58.57 1rr9 s ILE 707 Cb -0.30 -2.64 -0.06 0.00 0.13 0.00 0.00 42.46 39.60 1rr9 s ILE 707 CO 0.38 0.10 -0.13 0.42 -1.91 0.00 0.00 174.94 173.81 1rr9 s THR 708 N -1.25 2.25 0.33 4.00 -4.23 -0.85 -4.94 115.64 110.96 1rr9 s THR 708 Ca 0.22 -2.26 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1rr9 s THR 708 Cb -0.11 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.51 1rr9 s THR 708 CO 0.15 -0.29 1.94 -0.07 -0.54 0.00 0.00 174.62 175.81 1rr9 h LEU 709 N 2.14 0.77 -0.16 4.79 3.38 -1.90 0.90 115.31 125.23 1rr9 h LEU 709 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1rr9 h LEU 709 Cb 1.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1rr9 h LEU 709 CO 0.67 0.50 0.00 -1.14 0.09 0.00 0.00 178.44 178.56 1rr9 n ARG 710 N -4.48 0.02 -0.47 1.13 0.63 -1.26 -4.79 116.66 107.44 1rr9 n ARG 710 Ca 0.12 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1rr9 n ARG 710 Cb 0.20 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1rr9 n ARG 710 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rr9 n GLY 711 N -0.84 0.74 3.82 5.14 0.00 0.31 -4.99 105.19 109.37 1rr9 n GLY 711 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1rr9 n GLY 711 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rr9 s GLN 712 N -0.53 4.24 -0.34 1.61 -2.07 -1.26 -0.88 119.66 120.43 1rr9 s GLN 712 Ca 0.00 1.08 -0.12 0.00 -1.82 0.00 0.00 55.36 54.51 1rr9 s GLN 712 Cb 0.00 -2.27 -0.01 0.00 -1.09 0.00 0.00 33.01 29.64 1rr9 s GLN 712 CO 0.00 0.02 0.21 0.08 -1.32 0.00 0.00 175.29 174.29 1rr9 s VAL 713 N -2.10 4.99 0.33 3.63 1.01 0.37 -2.00 120.40 126.62 1rr9 s VAL 713 Ca 0.60 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1rr9 s VAL 713 Cb -0.10 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1rr9 s VAL 713 CO 0.15 -0.03 0.68 -0.76 0.00 0.00 0.00 175.10 175.13 1rr9 s LEU 714 N 1.67 4.00 0.82 3.92 1.43 0.10 -4.57 118.68 126.05 1rr9 s LEU 714 Ca 0.05 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1rr9 s LEU 714 Cb -0.18 -3.89 0.09 0.00 0.03 0.00 0.00 46.19 42.25 1rr9 s LEU 714 CO 0.09 -0.25 1.14 -2.16 0.23 0.00 0.00 176.35 175.40 1rr9 s PRO 715 N -3.36 1.70 0.34 1.29 0.04 -1.26 -2.31 135.00 131.45 1rr9 s PRO 715 Ca 0.50 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1rr9 s PRO 715 Cb -0.11 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1rr9 s PRO 715 CO 0.25 -2.11 0.10 0.44 0.04 0.00 0.00 177.00 175.72 1rr9 n ILE 716 N -3.63 0.00 -4.01 0.56 -6.64 -1.26 -4.54 119.36 99.84 1rr9 n ILE 716 Ca 0.11 -1.92 -0.27 0.00 -1.77 0.00 0.00 62.75 58.90 1rr9 n ILE 716 Cb 0.52 0.64 -0.01 0.00 -1.44 0.00 0.00 39.64 39.35 1rr9 n ILE 716 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1rr9 s GLY 717 N -3.05 2.48 -1.56 3.28 0.00 -1.26 -4.75 107.32 102.46 1rr9 s GLY 717 Ca 0.14 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 1rr9 s GLY 717 CO 0.10 -1.99 0.36 0.61 0.00 0.00 0.00 173.10 172.18 1rr9 n GLY 718 N -1.72 -0.24 0.25 0.20 0.00 -1.26 -4.85 105.19 97.57 1rr9 n GLY 718 Ca -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.67 0.41 0.06 0.99 5.85 -1.96 -2.26 115.31 116.72 1rr9 h LEU 719 Ca -0.63 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 1rr9 h LEU 719 Cb 1.39 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1rr9 h LEU 719 CO 0.71 0.54 -0.03 0.50 -0.34 0.00 0.00 178.44 179.82 1rr9 h LYS 720 N 0.40 -0.07 -0.46 1.25 3.64 -1.90 -0.26 116.57 119.16 1rr9 h LYS 720 Ca 0.08 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1rr9 h LYS 720 Cb 0.42 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1rr9 h LYS 720 CO 0.02 0.04 0.11 0.93 -2.27 0.00 0.00 179.45 178.29 1rr9 h GLU 721 N -0.18 0.69 0.07 1.90 4.39 -1.93 0.59 114.58 120.10 1rr9 h GLU 721 Ca -0.01 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1rr9 h GLU 721 Cb 0.15 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1rr9 h GLU 721 CO 0.01 0.62 -0.03 0.87 -1.16 0.00 0.00 179.01 179.32 1rr9 h LYS 722 N 0.67 -0.09 -0.12 2.33 1.57 -1.01 -2.18 116.57 117.74 1rr9 h LYS 722 Ca 0.15 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 1rr9 h LYS 722 Cb 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1rr9 h LYS 722 CO -0.00 0.06 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.41 1rr9 h LEU 723 N -0.23 0.31 -1.11 2.94 4.07 -0.84 -2.49 115.31 117.96 1rr9 h LEU 723 Ca -0.01 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1rr9 h LEU 723 Cb 0.20 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1rr9 h LEU 723 CO 0.02 0.73 0.19 -0.07 -1.08 0.00 0.00 178.44 178.22 1rr9 h LEU 724 N 0.24 0.75 -0.18 1.67 3.38 -0.81 0.31 115.31 120.66 1rr9 h LEU 724 Ca 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1rr9 h LEU 724 Cb 0.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1rr9 h LEU 724 CO 0.07 0.70 0.03 0.00 0.09 0.00 0.00 178.44 179.34 1rr9 h ALA 725 N 1.41 0.23 -0.58 1.53 0.00 -1.09 -2.23 119.26 118.54 1rr9 h ALA 725 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1rr9 h ALA 725 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rr9 h ALA 725 CO -0.01 -0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.31 1rr9 h ALA 726 N 0.83 1.23 -0.05 0.00 0.00 -1.00 -0.47 119.26 119.81 1rr9 h ALA 726 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rr9 h ALA 726 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rr9 h ALA 726 CO 0.00 0.54 0.00 1.58 0.00 0.00 0.00 179.25 181.38 1rr9 n HIS 727 N -4.29 0.00 0.18 0.00 -0.00 0.10 -1.13 115.22 110.09 1rr9 n HIS 727 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 1rr9 n HIS 727 Cb 0.20 -0.49 -0.08 0.00 -0.00 0.00 0.00 29.99 29.62 1rr9 n HIS 727 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rr9 h ARG 728 N 0.00 -0.72 -1.38 1.57 2.47 -1.46 -2.13 114.38 112.73 1rr9 h ARG 728 Ca 0.00 0.05 0.43 0.00 -1.26 0.00 0.00 59.98 59.20 1rr9 h ARG 728 Cb 0.00 0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 28.39 1rr9 h ARG 728 CO 0.00 -0.48 0.94 0.41 0.56 0.00 0.00 179.97 181.40 1rr9 n GLY 729 N -1.48 -0.76 0.00 0.04 0.00 -0.18 -4.74 105.19 98.06 1rr9 n GLY 729 Ca -0.09 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.58 1.23 3.78 -0.02 0.00 -0.74 -5.06 105.19 102.79 1rr9 n GLY 730 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 3.87 -0.13 -0.61 -1.09 -0.28 -4.97 121.20 115.98 1rr9 s ILE 731 Ca 0.00 1.49 0.10 0.00 -2.23 0.00 0.00 60.65 60.01 1rr9 s ILE 731 Cb 0.00 -3.80 -0.15 0.00 -1.58 0.00 0.00 42.46 36.93 1rr9 s ILE 731 CO 0.00 0.07 0.01 1.17 -1.23 0.00 0.00 174.94 174.96 1rr9 n LYS 732 N 0.22 1.68 -5.18 2.79 4.81 -1.07 -4.72 118.16 116.70 1rr9 n LYS 732 Ca 0.04 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.17 1rr9 n LYS 732 Cb 0.49 -1.33 -0.17 0.00 0.02 0.00 0.00 35.03 34.05 1rr9 n LYS 732 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1rr9 s THR 733 N -2.31 2.17 -0.10 3.15 2.01 -0.56 -1.40 115.64 118.60 1rr9 s THR 733 Ca -0.09 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1rr9 s THR 733 Cb 0.04 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1rr9 s THR 733 CO 0.50 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.24 1rr9 s VAL 734 N 0.29 0.80 -0.08 3.82 1.01 -0.99 -0.43 120.40 124.82 1rr9 s VAL 734 Ca -0.17 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1rr9 s VAL 734 Cb -0.17 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1rr9 s VAL 734 CO 0.08 0.33 0.50 -0.76 0.00 0.00 0.00 175.10 175.26 1rr9 s LEU 735 N 1.76 4.32 0.12 3.92 1.43 0.31 -0.99 118.68 129.55 1rr9 s LEU 735 Ca 0.04 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1rr9 s LEU 735 Cb -0.13 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1rr9 s LEU 735 CO -0.07 0.05 -0.03 0.27 0.23 0.00 0.00 176.35 176.80 1rr9 s ILE 736 N 0.31 0.58 0.40 -0.59 -4.36 -0.66 -2.53 121.20 114.35 1rr9 s ILE 736 Ca 0.27 -1.93 -0.27 0.00 -0.26 0.00 0.00 60.65 58.46 1rr9 s ILE 736 Cb -0.16 -1.84 -0.10 0.00 1.25 0.00 0.00 42.46 41.61 1rr9 s ILE 736 CO 0.12 -0.72 1.42 -2.65 0.24 0.00 0.00 174.94 173.35 1rr9 n PRO 737 N -0.09 2.40 -0.31 0.37 -0.02 -1.26 0.44 135.00 136.52 1rr9 n PRO 737 Ca -0.10 0.84 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1rr9 n PRO 737 Cb 0.62 -2.58 0.22 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.60 1.08 0.00 6.00 3.57 -1.26 -1.61 116.94 127.32 1rr9 h PHE 738 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1rr9 h PHE 738 Cb 1.26 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1rr9 h PHE 738 CO 0.51 0.59 0.00 -1.91 -2.23 0.00 0.00 178.31 175.27 1rr9 n GLU 739 N -4.47 0.27 -0.02 1.11 4.07 -1.26 -2.54 120.64 117.79 1rr9 n GLU 739 Ca 0.13 0.10 0.13 0.00 -0.06 0.00 0.00 57.16 57.46 1rr9 n GLU 739 Cb 0.16 -1.50 0.48 0.00 -0.06 0.00 0.00 31.44 30.52 1rr9 n GLU 739 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1rr9 n ASN 740 N -1.30 1.55 -0.33 4.31 4.13 -0.61 -4.23 115.26 118.78 1rr9 n ASN 740 Ca 0.09 -1.56 0.10 0.00 1.68 0.00 0.00 54.58 54.90 1rr9 n ASN 740 Cb 0.17 -0.03 0.31 0.00 -1.54 0.00 0.00 39.78 38.69 1rr9 n ASN 740 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1rr9 h LYS 741 N 2.32 0.81 -0.21 3.52 1.57 -1.62 -0.54 116.57 122.43 1rr9 h LYS 741 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1rr9 h LYS 741 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1rr9 h LYS 741 CO 0.00 0.54 -0.05 0.07 -0.57 0.00 0.00 179.45 179.44 1rr9 h ARG 742 N 0.84 0.32 0.00 3.15 0.11 -1.86 -2.72 114.38 114.21 1rr9 h ARG 742 Ca 0.50 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1rr9 h ARG 742 Cb 0.68 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1rr9 h ARG 742 CO -0.27 0.38 0.00 -0.44 0.10 0.00 0.00 179.97 179.74 1rr9 h ASP 743 N 0.31 0.00 -0.60 0.08 3.32 -1.38 -3.11 116.42 115.04 1rr9 h ASP 743 Ca 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1rr9 h ASP 743 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1rr9 h ASP 743 CO 0.01 0.00 0.12 -0.07 -1.72 0.00 0.00 179.24 177.58 1rr9 h LEU 744 N 0.00 0.93 -1.89 1.55 4.07 -1.51 -3.00 115.31 115.46 1rr9 h LEU 744 Ca 0.00 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.78 1rr9 h LEU 744 Cb 0.35 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1rr9 h LEU 744 CO 0.00 0.94 0.44 -0.33 -1.08 0.00 0.00 178.44 178.41 1rr9 h GLU 745 N 0.89 0.00 -0.66 1.13 4.39 -1.72 0.28 114.58 118.88 1rr9 h GLU 745 Ca 0.19 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1rr9 h GLU 745 Cb 0.39 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1rr9 h GLU 745 CO 0.01 0.00 0.09 0.39 -1.16 0.00 0.00 179.01 178.34 1rr9 n GLU 746 N -3.29 4.41 -5.16 2.33 4.71 -1.13 -4.88 120.64 117.63 1rr9 n GLU 746 Ca 0.03 -3.03 -0.31 0.00 -0.01 0.00 0.00 57.16 53.85 1rr9 n GLU 746 Cb 0.55 -2.23 -0.17 0.00 -1.01 0.00 0.00 31.44 28.59 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 -2.77 1.94 0.28 -3.67 1.01 0.97 -5.01 121.20 113.94 1rr9 s ILE 747 Ca 0.53 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1rr9 s ILE 747 Cb 0.41 -1.66 -0.15 0.00 0.01 0.00 0.00 42.46 41.07 1rr9 s ILE 747 CO 0.15 0.54 0.79 -0.81 0.00 0.00 0.00 174.94 175.61 1rr9 n PRO 748 N 3.29 0.81 0.07 2.79 -0.04 -1.26 -4.83 135.00 135.84 1rr9 n PRO 748 Ca -0.19 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1rr9 n PRO 748 Cb 0.53 -1.52 0.36 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.52 0.33 -0.83 3.54 3.45 -1.96 -2.73 116.42 119.73 1rr9 h ASP 749 Ca -0.36 -0.06 0.17 0.00 0.43 0.00 0.00 57.03 57.21 1rr9 h ASP 749 Cb 1.38 -0.09 -0.10 0.00 -0.56 0.00 0.00 39.33 39.96 1rr9 h ASP 749 CO 0.58 0.44 0.38 0.78 -1.57 0.00 0.00 179.24 179.85 1rr9 h ASN 750 N 0.33 0.39 0.09 6.45 4.21 -1.99 0.13 115.58 125.18 1rr9 h ASN 750 Ca 0.07 0.12 -0.16 0.00 1.21 0.00 0.00 56.30 57.53 1rr9 h ASN 750 Cb 0.34 0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1rr9 h ASN 750 CO 0.02 0.12 -0.77 1.62 -1.29 0.00 0.00 177.43 177.12 1rr9 h VAL 751 N 0.50 1.43 -0.15 2.81 3.04 -1.85 -3.33 116.25 118.70 1rr9 h VAL 751 Ca 0.47 -2.43 -0.12 0.00 -1.01 0.00 0.00 66.70 63.61 1rr9 h VAL 751 Cb 0.76 3.07 -0.01 0.00 -2.01 0.00 0.00 31.29 33.10 1rr9 h VAL 751 CO -0.42 0.65 -0.44 0.40 -1.01 0.00 0.00 177.57 176.75 1rr9 h ILE 752 N -0.57 1.32 0.00 3.17 2.04 -1.32 -2.51 117.51 119.64 1rr9 h ILE 752 Ca -0.16 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1rr9 h ILE 752 Cb 1.48 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1rr9 h ILE 752 CO 0.06 0.49 -0.06 0.00 0.00 0.00 0.00 178.15 178.65 1rr9 h ALA 753 N 1.23 1.46 0.00 1.87 0.00 -0.92 -1.06 119.26 121.85 1rr9 h ALA 753 Ca 0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1rr9 h ALA 753 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1rr9 h ALA 753 CO 0.07 0.07 -0.85 0.22 0.00 0.00 0.00 179.25 178.76 1rr9 h ASP 754 N 0.00 0.00 -3.04 0.00 3.58 -1.56 -3.46 116.42 111.93 1rr9 h ASP 754 Ca -0.00 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.85 1rr9 h ASP 754 Cb 0.14 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 1rr9 h ASP 754 CO 0.01 0.85 -0.39 -0.76 -2.88 0.00 0.00 179.24 176.07 1rr9 s LEU 755 N -6.93 4.31 -1.09 2.28 1.43 -0.40 -4.93 118.68 113.35 1rr9 s LEU 755 Ca 0.01 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1rr9 s LEU 755 Cb 0.11 -3.11 0.28 0.00 0.03 0.00 0.00 46.19 43.49 1rr9 s LEU 755 CO 0.80 0.12 1.19 -0.67 0.23 0.00 0.00 176.35 178.01 1rr9 n ASP 756 N 0.27 5.66 -4.65 2.29 4.64 -0.49 -4.95 116.55 119.31 1rr9 n ASP 756 Ca -0.04 -3.14 -0.43 0.00 -1.38 0.00 0.00 54.79 49.80 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 -1.69 3.95 -0.51 5.18 -1.09 -1.26 -2.36 121.20 123.43 1rr9 s ILE 757 Ca 0.31 1.12 -0.04 0.00 -2.23 0.00 0.00 60.65 59.81 1rr9 s ILE 757 Cb -0.06 -3.84 0.13 0.00 -1.58 0.00 0.00 42.46 37.11 1rr9 s ILE 757 CO -0.04 -0.23 0.33 -1.00 -1.23 0.00 0.00 174.94 172.77 1rr9 s HIS 758 N 4.24 3.51 0.12 3.97 3.76 -0.16 -4.98 115.29 125.74 1rr9 s HIS 758 Ca 0.63 -2.43 -0.31 0.00 -0.15 0.00 0.00 55.06 52.80 1rr9 s HIS 758 Cb -0.24 -3.27 -0.08 0.00 1.11 0.00 0.00 32.58 30.10 1rr9 s HIS 758 CO 0.23 -0.93 1.33 -2.14 -0.85 0.00 0.00 174.74 172.38 1rr9 s PRO 759 N 0.71 4.36 0.07 8.40 0.02 -1.26 -1.65 135.00 145.65 1rr9 s PRO 759 Ca 0.11 2.00 0.06 0.00 0.02 0.00 0.00 61.00 63.19 1rr9 s PRO 759 Cb -0.22 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1rr9 s PRO 759 CO -0.04 -0.36 -0.15 0.14 -0.33 0.00 0.00 177.00 176.27 1rr9 s VAL 760 N 0.88 1.20 -0.15 3.83 -7.23 0.17 -4.73 120.40 114.37 1rr9 s VAL 760 Ca 0.62 -1.26 0.10 0.00 -1.81 0.00 0.00 61.98 59.62 1rr9 s VAL 760 Cb -0.35 -1.13 -0.16 0.00 0.56 0.00 0.00 36.38 35.30 1rr9 s VAL 760 CO 0.32 -0.14 -0.00 0.29 -0.31 0.00 0.00 175.10 175.25 1rr9 n LYS 761 N 1.41 1.37 -4.39 4.82 5.02 -1.26 -0.89 118.16 124.23 1rr9 n LYS 761 Ca -0.20 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.90 1rr9 n LYS 761 Cb 0.54 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.35 1.46 0.40 1.97 0.52 -1.26 -0.48 118.95 119.22 1rr9 s ARG 762 Ca -0.11 -1.66 0.14 0.00 -0.52 0.00 0.00 55.73 53.58 1rr9 s ARG 762 Cb 0.05 -1.36 0.85 0.00 0.52 0.00 0.00 34.95 35.01 1rr9 s ARG 762 CO 0.55 0.24 1.89 0.97 0.02 0.00 0.00 175.30 178.96 1rr9 h ILE 763 N 2.44 1.17 -0.33 1.52 6.09 -1.35 -3.13 117.51 123.92 1rr9 h ILE 763 Ca -0.39 -1.04 0.04 0.00 -1.37 0.00 0.00 64.86 62.10 1rr9 h ILE 763 Cb 1.24 1.57 -0.04 0.00 0.47 0.00 0.00 36.82 40.06 1rr9 h ILE 763 CO 0.61 0.29 0.09 -0.33 -3.07 0.00 0.00 178.15 175.75 1rr9 h GLU 764 N 0.00 0.22 0.00 2.19 3.07 -1.97 0.15 114.58 118.24 1rr9 h GLU 764 Ca -0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1rr9 h GLU 764 Cb 0.55 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1rr9 h GLU 764 CO 0.04 0.14 -0.22 1.05 -1.40 0.00 0.00 179.01 178.63 1rr9 h GLU 765 N 0.22 0.00 0.06 2.33 4.11 -1.97 0.91 114.58 120.24 1rr9 h GLU 765 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 1rr9 h GLU 765 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1rr9 h GLU 765 CO -0.18 0.22 -0.03 0.28 0.07 0.00 0.00 179.01 179.37 1rr9 h VAL 766 N 0.00 1.23 -0.05 -1.06 2.07 -1.19 -2.07 116.25 115.19 1rr9 h VAL 766 Ca -0.00 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1rr9 h VAL 766 Cb 0.62 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1rr9 h VAL 766 CO 0.03 0.26 0.02 -0.07 0.02 0.00 0.00 177.57 177.83 1rr9 h LEU 767 N -0.56 0.07 -1.40 2.57 3.38 -0.44 0.29 115.31 119.21 1rr9 h LEU 767 Ca -0.01 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1rr9 h LEU 767 Cb 0.49 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1rr9 h LEU 767 CO 0.01 0.20 0.44 0.71 0.09 0.00 0.00 178.44 179.89 1rr9 h THR 768 N -0.07 1.08 0.01 0.22 1.35 -0.91 -0.37 112.91 114.23 1rr9 h THR 768 Ca 0.02 -0.27 -0.22 0.00 -0.55 0.00 0.00 66.41 65.39 1rr9 h THR 768 Cb 0.15 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 66.78 1rr9 h THR 768 CO -0.00 0.14 -1.06 -0.07 -0.25 0.00 0.00 175.52 174.28 1rr9 h LEU 769 N 0.78 0.04 0.09 3.87 3.38 -1.05 -3.39 115.31 119.04 1rr9 h LEU 769 Ca 0.27 -0.05 -0.37 0.00 0.09 0.00 0.00 57.88 57.82 1rr9 h LEU 769 Cb 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1rr9 h LEU 769 CO -0.08 1.04 -2.12 0.00 0.09 0.00 0.00 178.44 177.37 1rr9 n ALA 770 N -2.38 1.04 -1.76 1.53 0.00 0.98 -4.92 120.51 114.99 1rr9 n ALA 770 Ca -0.02 -0.73 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 1rr9 n ALA 770 Cb 0.95 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1rr9 n ALA 770 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rr9 s LEU 771 N -6.92 3.99 0.06 0.00 1.43 -0.17 -0.97 118.68 116.09 1rr9 s LEU 771 Ca -0.26 2.45 -0.25 0.00 -1.03 0.00 0.00 54.13 55.03 1rr9 s LEU 771 Cb 0.07 -4.22 -0.17 0.00 0.03 0.00 0.00 46.19 41.90 1rr9 s LEU 771 CO 0.72 -1.08 1.58 -0.61 0.23 0.00 0.00 176.35 177.19 1rr9 h GLN 772 N 1.95 -0.16 0.00 1.70 4.15 -0.76 -3.44 115.11 118.54 1rr9 h GLN 772 Ca -0.50 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1rr9 h GLN 772 Cb 1.26 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1rr9 h GLN 772 CO 0.60 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 177.59 1rr9 n ASN 773 N -5.10 0.00 -4.52 -0.69 5.03 -1.26 -5.03 115.26 103.69 1rr9 n ASN 773 Ca -0.08 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.02 1rr9 n ASN 773 Cb 0.14 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.78 1rr9 n ASN 773 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1rr9 s GLU 774 N 2.08 3.75 0.00 3.52 0.41 -1.26 -4.92 118.70 122.28 1rr9 s GLU 774 Ca 0.00 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1rr9 s GLU 774 Cb 0.00 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 1rr9 s GLU 774 CO 0.00 0.09 0.50 -2.30 -0.49 0.00 0.00 175.26 173.06