#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rre s VAL 595 N 0.00 0.49 0.24 0.00 1.01 -1.26 -0.97 120.40 119.92 1rre s VAL 595 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1rre s VAL 595 Cb 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1rre s VAL 595 CO 0.00 -0.06 0.71 -0.83 0.00 0.00 0.00 175.10 174.92 1rre s GLY 596 N 1.89 2.53 -0.04 4.51 0.00 0.30 -4.83 107.32 111.67 1rre s GLY 596 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.83 1rre s GLY 596 CO -0.07 0.42 0.02 1.62 0.00 0.00 0.00 173.10 175.08 1rre s GLN 597 N -2.21 0.28 0.03 2.90 0.74 -1.26 -0.72 119.66 119.42 1rre s GLN 597 Ca 0.45 0.17 0.03 0.00 0.05 0.00 0.00 55.36 56.06 1rre s GLN 597 Cb -0.15 -0.63 -0.02 0.00 1.10 0.00 0.00 33.01 33.31 1rre s GLN 597 CO 0.20 -0.24 -0.10 0.08 -0.55 0.00 0.00 175.29 174.69 1rre s VAL 598 N 1.60 0.74 -0.30 1.34 1.01 -0.14 -4.60 120.40 120.06 1rre s VAL 598 Ca -0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1rre s VAL 598 Cb -0.13 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1rre s VAL 598 CO -0.03 -0.08 0.44 0.28 0.00 0.00 0.00 175.10 175.72 1rre s THR 599 N -0.80 5.10 0.41 3.92 -1.32 -1.26 0.24 115.64 121.93 1rre s THR 599 Ca -0.02 0.50 0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1rre s THR 599 Cb -0.07 -3.82 -0.02 0.00 -1.51 0.00 0.00 72.50 67.07 1rre s THR 599 CO 0.01 -0.01 0.36 -0.83 -2.21 0.00 0.00 174.62 171.94 1rre s GLY 600 N 1.67 2.12 -0.13 6.08 0.00 1.00 -4.33 107.32 113.73 1rre s GLY 600 Ca 0.17 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1rre s GLY 600 CO 0.11 -1.70 -0.05 1.08 0.00 0.00 0.00 173.10 172.54 1rre s LEU 601 N -4.11 1.23 0.20 0.66 1.43 -1.26 -1.12 118.68 115.72 1rre s LEU 601 Ca 0.47 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1rre s LEU 601 Cb -0.03 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1rre s LEU 601 CO 0.27 -0.16 0.60 0.00 0.23 0.00 0.00 176.35 177.29 1rre s ALA 602 N 1.74 -1.26 0.22 4.21 0.00 -1.09 -4.53 121.76 121.03 1rre s ALA 602 Ca 0.03 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 1rre s ALA 602 Cb -0.14 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 1rre s ALA 602 CO -0.08 -0.85 1.33 -0.46 0.00 0.00 0.00 175.76 175.71 1rre s TRP 603 N -3.84 3.21 0.24 0.00 -0.00 -1.25 -0.89 118.94 116.41 1rre s TRP 603 Ca 0.06 1.20 0.03 0.00 -0.00 0.00 0.00 56.10 57.39 1rre s TRP 603 Cb -0.02 -3.64 -0.05 0.00 -0.00 0.00 0.00 33.47 29.75 1rre s TRP 603 CO -0.04 -2.01 0.03 0.95 -0.00 0.00 0.00 176.95 175.88 1rre s THR 604 N 0.02 0.89 0.44 5.86 -4.23 -0.19 -2.83 115.64 115.60 1rre s THR 604 Ca 0.57 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1rre s THR 604 Cb -0.38 -2.45 0.27 0.00 1.34 0.00 0.00 72.50 71.28 1rre s THR 604 CO 0.40 -0.21 2.08 -0.08 -0.54 0.00 0.00 174.62 176.27 1rre h GLU 605 N 2.43 0.37 -0.38 3.99 4.57 -1.26 0.40 114.58 124.69 1rre h GLU 605 Ca -0.38 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 1rre h GLU 605 Cb 1.23 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1rre h GLU 605 CO 0.64 0.25 0.07 0.28 -1.18 0.00 0.00 179.01 179.07 1rre h VAL 606 N 0.38 1.24 0.00 0.32 2.07 -1.97 -3.50 116.25 114.79 1rre h VAL 606 Ca 0.11 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1rre h VAL 606 Cb -0.02 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1rre h VAL 606 CO -0.02 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1rre n GLY 607 N -0.52 2.00 3.57 2.17 0.00 0.14 -5.04 105.19 107.50 1rre n GLY 607 Ca -0.01 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1rre n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rre s GLY 608 N 0.00 -0.07 0.40 -0.02 0.00 -1.26 -1.03 107.32 105.34 1rre s GLY 608 Ca 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.16 1rre s GLY 608 CO 0.00 3.68 0.20 1.34 0.00 0.00 0.00 173.10 178.32 1rre n ASP 609 N 15.21 2.55 -4.72 1.64 -0.08 -0.07 -3.26 116.55 127.82 1rre n ASP 609 Ca 0.42 -2.49 -0.42 0.00 -1.51 0.00 0.00 54.79 50.80 1rre n ASP 609 Cb 0.46 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 1rre n ASP 609 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1rre s LEU 610 N 0.00 4.38 -0.07 -2.67 0.20 -1.26 -2.68 118.68 116.58 1rre s LEU 610 Ca 0.15 2.36 -0.03 0.00 0.69 0.00 0.00 54.13 57.31 1rre s LEU 610 Cb -0.01 -3.59 0.04 0.00 -0.43 0.00 0.00 46.19 42.20 1rre s LEU 610 CO 0.10 -0.65 0.14 -0.76 -0.29 0.00 0.00 176.35 174.88 1rre s LEU 611 N 0.92 0.53 -0.34 -0.68 1.43 -0.27 -5.00 118.68 115.27 1rre s LEU 611 Ca 0.64 0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.81 1rre s LEU 611 Cb -0.37 0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1rre s LEU 611 CO 0.32 -0.17 0.66 -0.89 0.23 0.00 0.00 176.35 176.49 1rre s THR 612 N 1.48 4.87 -0.22 5.49 2.01 -1.26 -0.00 115.64 128.02 1rre s THR 612 Ca -0.06 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 1rre s THR 612 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1rre s THR 612 CO -0.06 -0.28 0.38 -0.63 -0.69 0.00 0.00 174.62 173.34 1rre s ILE 613 N 2.75 5.20 0.17 1.82 1.09 0.14 -4.02 121.20 128.34 1rre s ILE 613 Ca 0.26 0.66 0.08 0.00 -1.10 0.00 0.00 60.65 60.55 1rre s ILE 613 Cb -0.14 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1rre s ILE 613 CO 0.14 0.24 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.52 1rre s GLU 614 N 1.46 2.11 -0.11 2.79 2.02 -0.52 -0.97 118.70 125.48 1rre s GLU 614 Ca 0.18 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 53.91 1rre s GLU 614 Cb -0.15 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 31.92 1rre s GLU 614 CO 0.08 0.45 0.25 0.99 0.02 0.00 0.00 175.26 177.05 1rre s THR 615 N -1.62 -0.14 0.15 3.63 2.01 0.10 -1.58 115.64 118.18 1rre s THR 615 Ca 0.25 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.48 1rre s THR 615 Cb -0.09 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1rre s THR 615 CO 0.15 0.08 0.13 0.00 -0.69 0.00 0.00 174.62 174.29 1rre s ALA 616 N 1.59 3.58 -0.39 7.40 0.00 0.18 0.11 121.76 134.22 1rre s ALA 616 Ca -0.06 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1rre s ALA 616 Cb -0.11 -1.38 0.31 0.00 0.00 0.00 0.00 23.12 21.94 1rre s ALA 616 CO -0.09 0.54 0.72 0.00 0.00 0.00 0.00 175.76 176.94 1rre s VAL 618 N -1.61 3.66 0.49 0.00 1.01 -0.86 -4.73 120.40 118.36 1rre s VAL 618 Ca 0.36 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 1rre s VAL 618 Cb 0.28 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1rre s VAL 618 CO -0.09 -0.28 0.56 -2.65 0.00 0.00 0.00 175.10 172.64 1rre n PRO 619 N -1.28 0.61 -2.13 2.72 -0.02 -1.26 -0.81 135.00 132.83 1rre n PRO 619 Ca 0.10 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1rre n PRO 619 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1rre n PRO 619 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rre n GLY 620 N 1.74 -0.58 0.92 -1.23 0.00 -0.12 -4.34 105.19 101.58 1rre n GLY 620 Ca 0.11 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.49 1rre n GLY 620 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rre n LYS 621 N 0.00 0.77 0.00 1.61 -0.00 -1.26 -3.35 118.16 115.93 1rre n LYS 621 Ca 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 58.31 55.80 1rre n LYS 621 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 35.03 34.19 1rre n LYS 621 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rre n GLY 622 N -0.38 1.02 3.76 2.58 0.00 -0.46 -4.84 105.19 106.87 1rre n GLY 622 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1rre n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rre s LYS 623 N -0.29 4.78 -0.15 1.61 3.01 -1.26 -4.90 119.74 122.54 1rre s LYS 623 Ca 0.00 1.45 -0.04 0.00 -1.01 0.00 0.00 55.97 56.37 1rre s LYS 623 Cb 0.00 -3.14 -0.03 0.00 -1.01 0.00 0.00 37.83 33.65 1rre s LYS 623 CO 0.00 0.45 -0.01 -1.17 0.51 0.00 0.00 175.35 175.12 1rre s LEU 624 N -1.43 3.40 -0.06 3.17 2.96 -1.26 -0.83 118.68 124.63 1rre s LEU 624 Ca 0.44 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1rre s LEU 624 Cb -0.24 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1rre s LEU 624 CO 0.30 0.20 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.52 1rre s THR 625 N 0.16 1.14 -0.03 3.68 2.01 0.83 -4.99 115.64 118.45 1rre s THR 625 Ca -0.00 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1rre s THR 625 Cb -0.13 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1rre s THR 625 CO 0.02 0.35 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.48 1rre s TYR 626 N 0.50 1.04 0.15 4.92 -0.85 -1.26 -0.77 117.35 121.08 1rre s TYR 626 Ca -0.11 -0.26 -0.06 0.00 -0.52 0.00 0.00 57.07 56.12 1rre s TYR 626 Cb -0.14 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.45 1rre s TYR 626 CO 0.03 -0.10 0.19 0.95 -1.52 0.00 0.00 175.55 175.10 1rre s THR 627 N 0.13 0.08 0.00 -3.49 -4.23 -0.54 -4.97 115.64 102.62 1rre s THR 627 Ca -0.02 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1rre s THR 627 Cb -0.08 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1rre s THR 627 CO 0.01 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1rre n GLY 628 N -0.17 1.68 3.74 3.99 0.00 -1.26 -1.76 105.19 111.41 1rre n GLY 628 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1rre n GLY 628 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rre n SER 629 N 0.00 -2.47 -4.73 1.61 7.64 -1.25 -4.54 113.62 109.88 1rre n SER 629 Ca 0.00 -0.78 -0.40 0.00 1.01 0.00 0.00 58.87 58.69 1rre n SER 629 Cb 0.00 -4.12 -0.05 0.00 -1.01 0.00 0.00 64.21 59.03 1rre n SER 629 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rre s LEU 630 N -6.86 4.42 0.80 -3.43 1.43 -1.26 -1.85 118.68 111.93 1rre s LEU 630 Ca 0.21 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1rre s LEU 630 Cb -0.10 -3.29 0.07 0.00 0.03 0.00 0.00 46.19 42.89 1rre s LEU 630 CO 0.81 -0.05 1.16 -0.83 0.23 0.00 0.00 176.35 177.66 1rre s GLY 631 N 0.24 1.60 0.19 -3.19 0.00 0.31 -4.84 107.32 101.63 1rre s GLY 631 Ca 0.41 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 1rre s GLY 631 CO 0.24 -0.09 1.67 -2.09 0.00 0.00 0.00 173.10 172.83 1rre h GLU 632 N -1.02 1.09 -0.64 2.90 4.57 -1.97 -1.96 114.58 117.55 1rre h GLU 632 Ca -0.46 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1rre h GLU 632 Cb 1.31 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1rre h GLU 632 CO 0.65 1.03 0.00 0.28 -1.18 0.00 0.00 179.01 179.78 1rre n VAL 633 N -4.20 0.00 0.00 0.32 0.31 -1.26 -1.46 118.33 112.05 1rre n VAL 633 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1rre n VAL 633 Cb 0.32 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1rre n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rre n GLN 635 N 0.61 0.00 0.05 5.55 6.02 -0.74 -1.83 117.38 127.04 1rre n GLN 635 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1rre n GLN 635 Cb 0.00 0.00 0.32 0.00 1.02 0.00 0.00 30.24 31.58 1rre n GLN 635 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1rre h GLU 636 N 0.00 0.40 -0.58 -1.09 5.08 -1.53 -1.97 114.58 114.89 1rre h GLU 636 Ca 0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1rre h GLU 636 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1rre h GLU 636 CO 0.00 0.51 0.38 0.66 -1.00 0.00 0.00 179.01 179.56 1rre h SER 637 N 0.37 0.66 -0.82 1.42 4.64 -1.64 -1.67 113.55 116.51 1rre h SER 637 Ca 0.07 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1rre h SER 637 Cb 0.41 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 1rre h SER 637 CO 0.02 0.48 0.45 0.40 -0.87 0.00 0.00 176.83 177.31 1rre h ILE 638 N 0.78 1.24 -0.35 0.95 2.04 -1.65 -1.36 117.51 119.16 1rre h ILE 638 Ca 0.21 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1rre h ILE 638 Cb -0.09 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1rre h ILE 638 CO -0.05 0.27 -0.14 1.56 0.00 0.00 0.00 178.15 179.79 1rre h GLN 639 N 1.15 0.72 -0.60 2.37 4.20 -1.18 -1.33 115.11 120.43 1rre h GLN 639 Ca 0.29 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1rre h GLN 639 Cb 0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1rre h GLN 639 CO -0.05 0.91 0.38 0.00 -0.67 0.00 0.00 178.83 179.40 1rre h ALA 640 N 0.80 0.77 -0.60 3.87 0.00 -1.23 -1.87 119.26 121.00 1rre h ALA 640 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rre h ALA 640 Cb 0.67 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1rre h ALA 640 CO 0.05 0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.81 1rre h ALA 641 N 1.24 0.76 -0.49 0.00 0.00 -0.97 -1.00 119.26 118.80 1rre h ALA 641 Ca 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1rre h ALA 641 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1rre h ALA 641 CO -0.07 0.24 0.15 1.25 0.00 0.00 0.00 179.25 180.82 1rre h LEU 642 N 0.80 0.71 -0.91 0.00 5.85 -1.01 -2.11 115.31 118.64 1rre h LEU 642 Ca 0.21 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1rre h LEU 642 Cb -0.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1rre h LEU 642 CO -0.04 0.74 0.37 0.74 -0.34 0.00 0.00 178.44 179.90 1rre h THR 643 N 0.65 1.25 -0.28 1.05 2.02 -1.11 -0.97 112.91 115.52 1rre h THR 643 Ca 0.16 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1rre h THR 643 Cb 0.28 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1rre h THR 643 CO -0.00 0.31 0.17 0.58 0.37 0.00 0.00 175.52 176.94 1rre h VAL 644 N 1.13 1.04 -0.71 3.16 2.07 -0.72 -0.47 116.25 121.75 1rre h VAL 644 Ca 0.27 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1rre h VAL 644 Cb 0.14 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1rre h VAL 644 CO -0.03 0.06 0.25 0.58 0.02 0.00 0.00 177.57 178.46 1rre h VAL 645 N 0.35 1.25 -0.16 2.57 2.07 -1.20 -2.43 116.25 118.70 1rre h VAL 645 Ca 0.11 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1rre h VAL 645 Cb -0.01 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1rre h VAL 645 CO -0.05 0.33 -0.08 0.03 0.02 0.00 0.00 177.57 177.82 1rre h ARG 646 N 1.04 0.34 -0.06 1.57 3.08 -0.95 -1.14 114.38 118.26 1rre h ARG 646 Ca 0.24 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1rre h ARG 646 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1rre h ARG 646 CO -0.01 0.65 0.06 0.00 -1.07 0.00 0.00 179.97 179.60 1rre h ALA 647 N 0.68 1.72 -0.22 0.04 0.00 -0.98 -2.84 119.26 117.67 1rre h ALA 647 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rre h ALA 647 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rre h ALA 647 CO 0.02 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.72 1rre n ARG 648 N -3.99 2.68 -0.34 0.00 1.74 -0.92 -4.78 116.66 111.04 1rre n ARG 648 Ca -0.01 -2.44 0.05 0.00 -0.77 0.00 0.00 57.85 54.68 1rre n ARG 648 Cb 0.16 -1.55 0.21 0.00 -1.02 0.00 0.00 32.46 30.27 1rre n ARG 648 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rre h ALA 649 N 1.43 1.41 0.32 7.54 0.00 -0.96 -2.52 119.26 126.47 1rre h ALA 649 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rre h ALA 649 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rre h ALA 649 CO 0.10 0.22 -0.15 0.93 0.00 0.00 0.00 179.25 180.35 1rre h GLU 650 N 0.96 -0.41 -0.25 0.00 5.08 -1.85 -0.83 114.58 117.29 1rre h GLU 650 Ca 0.46 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.91 1rre h GLU 650 Cb 0.42 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1rre h GLU 650 CO -0.25 -0.15 -0.23 0.87 -1.00 0.00 0.00 179.01 178.25 1rre h LYS 651 N -0.63 -0.23 0.00 2.33 1.79 -1.84 -2.24 116.57 115.75 1rre h LYS 651 Ca -0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1rre h LYS 651 Cb 0.45 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1rre h LYS 651 CO 0.07 -0.15 0.00 1.28 -1.08 0.00 0.00 179.45 179.57 1rre n LEU 652 N -5.37 0.00 0.00 2.94 4.77 -0.97 -4.83 117.00 113.54 1rre n LEU 652 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1rre n LEU 652 Cb 0.29 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1rre n LEU 652 CO 0.15 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1rre n GLY 653 N -0.03 0.76 3.73 -0.72 0.00 -0.84 -5.01 105.19 103.07 1rre n GLY 653 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1rre n GLY 653 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rre s ILE 654 N -2.25 4.84 0.02 -0.61 1.01 -0.36 -5.01 121.20 118.84 1rre s ILE 654 Ca 0.00 1.68 -0.33 0.00 0.00 0.00 0.00 60.65 61.99 1rre s ILE 654 Cb 0.00 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1rre s ILE 654 CO 0.00 0.29 1.79 -0.46 0.00 0.00 0.00 174.94 176.56 1rre n ASN 655 N 3.29 3.45 -4.67 3.58 0.23 -1.26 -3.89 115.26 115.98 1rre n ASN 655 Ca -0.00 1.00 -0.33 0.00 -0.53 0.00 0.00 54.58 54.72 1rre n ASN 655 Cb 0.51 -1.42 0.14 0.00 -2.08 0.00 0.00 39.78 36.93 1rre n ASN 655 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1rre n PRO 656 N 5.57 -0.01 -2.16 -0.53 -0.04 -1.26 -1.92 135.00 134.64 1rre n PRO 656 Ca 0.20 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.55 1rre n PRO 656 Cb 0.31 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 1rre n PRO 656 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rre n ASP 657 N -3.43 -5.26 0.22 3.54 10.43 -1.26 -4.87 116.55 115.92 1rre n ASP 657 Ca 0.13 0.16 0.05 0.00 2.57 0.00 0.00 54.79 57.70 1rre n ASP 657 Cb 0.51 -4.47 0.48 0.00 1.84 0.00 0.00 41.12 39.47 1rre n ASP 657 CO 0.00 0.00 0.00 2.19 -1.07 0.00 0.00 177.20 178.32 1rre h PHE 658 N 0.00 0.00 0.00 1.24 -5.15 -1.77 -2.61 116.94 108.66 1rre h PHE 658 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 1rre h PHE 658 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1rre h PHE 658 CO 0.58 0.22 0.00 0.98 -2.00 0.00 0.00 178.31 178.09 1rre n TYR 659 N -4.23 0.77 0.16 6.09 -0.00 -1.26 -1.57 117.16 117.12 1rre n TYR 659 Ca -0.02 0.28 0.07 0.00 -0.00 0.00 0.00 57.90 58.23 1rre n TYR 659 Cb 0.28 -0.95 0.08 0.00 -0.00 0.00 0.00 39.34 38.74 1rre n TYR 659 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1rre h GLU 660 N 0.00 0.00 0.00 2.98 5.08 -1.79 -3.28 114.58 117.57 1rre h GLU 660 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rre h GLU 660 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1rre h GLU 660 CO 0.00 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.87 1rre n LYS 661 N -3.10 0.35 -4.33 2.33 5.02 -0.73 -4.18 118.16 113.53 1rre n LYS 661 Ca 0.02 -0.82 -0.20 0.00 -2.02 0.00 0.00 58.31 55.29 1rre n LYS 661 Cb 0.64 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.53 1rre n LYS 661 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rre s ARG 662 N -0.33 0.93 -0.13 1.97 1.81 -0.61 -0.95 118.95 121.63 1rre s ARG 662 Ca 0.00 -0.81 -0.05 0.00 -1.72 0.00 0.00 55.73 53.15 1rre s ARG 662 Cb 0.00 -0.95 -0.04 0.00 -0.45 0.00 0.00 34.95 33.52 1rre s ARG 662 CO 0.00 0.23 0.04 -0.51 -0.68 0.00 0.00 175.30 174.38 1rre s ASP 663 N -1.27 5.48 -0.19 0.23 -0.00 0.01 -1.35 116.67 119.58 1rre s ASP 663 Ca 0.01 0.13 -0.05 0.00 -0.00 0.00 0.00 52.55 52.65 1rre s ASP 663 Cb -0.08 -1.76 -0.03 0.00 -0.00 0.00 0.00 42.92 41.05 1rre s ASP 663 CO 0.01 0.29 -0.01 -0.63 -0.00 0.00 0.00 175.17 174.84 1rre s ILE 664 N -0.32 4.00 -0.18 0.77 -1.09 -0.01 -2.02 121.20 122.35 1rre s ILE 664 Ca 0.08 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 1rre s ILE 664 Cb -0.12 -2.79 0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1rre s ILE 664 CO 0.02 0.45 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.79 1rre s HIS 665 N 0.77 2.28 -0.26 3.97 2.46 -0.61 -0.12 115.29 123.78 1rre s HIS 665 Ca -0.00 -1.43 -0.09 0.00 0.47 0.00 0.00 55.06 54.01 1rre s HIS 665 Cb -0.14 -1.60 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 1rre s HIS 665 CO 0.02 -0.71 0.11 0.08 -2.47 0.00 0.00 174.74 171.77 1rre s VAL 666 N 1.44 4.65 -0.01 0.89 1.01 0.05 -0.65 120.40 127.78 1rre s VAL 666 Ca 0.01 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1rre s VAL 666 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1rre s VAL 666 CO -0.09 0.31 -0.22 -2.28 0.00 0.00 0.00 175.10 172.83 1rre s HIS 667 N 1.62 1.92 -0.36 5.22 5.04 -0.62 -1.47 115.29 126.65 1rre s HIS 667 Ca 0.06 -0.37 0.01 0.00 -1.54 0.00 0.00 55.06 53.23 1rre s HIS 667 Cb -0.15 -1.23 0.11 0.00 0.04 0.00 0.00 32.58 31.35 1rre s HIS 667 CO 0.06 -0.02 0.14 0.08 -2.34 0.00 0.00 174.74 172.67 1rre s VAL 668 N -0.54 1.22 0.91 0.89 1.01 -0.72 -1.44 120.40 121.74 1rre s VAL 668 Ca 0.08 -1.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 1rre s VAL 668 Cb -0.08 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.55 1rre s VAL 668 CO -0.01 -0.75 1.10 -2.84 0.00 0.00 0.00 175.10 172.61 1rre s PRO 669 N 1.07 1.07 0.35 2.72 0.02 -1.26 -4.41 135.00 134.57 1rre s PRO 669 Ca 0.13 1.17 -0.27 0.00 0.02 0.00 0.00 61.00 62.05 1rre s PRO 669 Cb -0.20 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 1rre s PRO 669 CO -0.14 -2.47 1.19 -1.21 -0.33 0.00 0.00 177.00 174.04 1rre s GLU 670 N -4.75 4.30 0.54 5.54 0.41 -1.26 -4.51 118.70 118.97 1rre s GLU 670 Ca 0.65 1.93 0.21 0.00 -0.41 0.00 0.00 54.97 57.35 1rre s GLU 670 Cb -0.21 -2.93 1.44 0.00 -1.78 0.00 0.00 34.13 30.66 1rre s GLU 670 CO 0.58 -0.14 2.16 0.78 -0.49 0.00 0.00 175.26 178.16 1rre h GLY 671 N 3.16 0.00 0.40 -1.39 0.00 -1.88 -2.43 103.07 100.93 1rre h GLY 671 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rre h GLY 671 CO 0.64 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 176.22 1rre n ALA 672 N -2.48 3.95 -2.60 3.60 0.00 -1.26 -3.76 120.51 117.96 1rre n ALA 672 Ca -0.02 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 1rre n ALA 672 Cb 0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1rre n ALA 672 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rre s THR 673 N -3.09 4.46 0.22 0.00 2.01 -0.92 -5.00 115.64 113.31 1rre s THR 673 Ca 0.06 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.98 1rre s THR 673 Cb 0.16 -4.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.13 1rre s THR 673 CO 0.81 -0.69 1.59 -2.84 -0.69 0.00 0.00 174.62 172.80 1rre s PRO 674 N 3.80 4.18 0.12 4.92 0.02 -1.26 -4.63 135.00 142.14 1rre s PRO 674 Ca 0.42 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.92 1rre s PRO 674 Cb -0.10 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1rre s PRO 674 CO 0.23 -0.62 -0.07 0.15 -0.33 0.00 0.00 177.00 176.36 1rre s LYS 675 N 0.55 0.92 0.07 5.54 1.02 -0.77 -0.74 119.74 126.32 1rre s LYS 675 Ca 0.68 -1.38 -0.14 0.00 0.02 0.00 0.00 55.97 55.14 1rre s LYS 675 Cb -0.46 -0.32 0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1rre s LYS 675 CO 0.37 -0.00 0.68 -3.47 -0.92 0.00 0.00 175.35 172.00 1rre n ASP 676 N -0.10 -0.94 0.00 2.83 2.03 -1.13 -0.53 116.55 118.71 1rre n ASP 676 Ca -0.11 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.78 1rre n ASP 676 Cb 0.61 1.51 0.00 0.00 -0.72 0.00 0.00 41.12 42.52 1rre n ASP 676 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rre n GLY 677 N -0.48 -1.51 0.46 0.27 0.00 -1.26 -3.97 105.19 98.70 1rre n GLY 677 Ca 0.00 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.59 1rre n GLY 677 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rre n PRO 678 N -1.76 1.52 0.00 1.61 -0.04 -1.26 -4.59 135.00 130.48 1rre n PRO 678 Ca 0.00 -0.93 0.12 0.00 -0.04 0.00 0.00 63.50 62.65 1rre n PRO 678 Cb 0.00 -1.48 0.61 0.00 -0.04 0.00 0.00 33.50 32.58 1rre n PRO 678 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rre n ALA 679 N 0.08 2.23 1.01 0.55 0.00 -1.26 -1.99 120.51 121.13 1rre n ALA 679 Ca 0.17 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1rre n ALA 679 Cb 0.37 -1.40 0.28 0.00 0.00 0.00 0.00 19.45 18.70 1rre n ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rre n ALA 680 N -1.33 2.49 -0.08 0.00 0.00 -1.26 -0.60 120.51 119.73 1rre n ALA 680 Ca 0.11 -0.67 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 1rre n ALA 680 Cb 0.22 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1rre n ALA 680 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rre h GLY 681 N 4.77 -0.06 2.00 0.00 0.00 -1.15 -2.06 103.07 106.56 1rre h GLY 681 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 1rre h GLY 681 CO 0.00 -0.20 -0.28 0.16 0.00 0.00 0.00 176.54 176.22 1rre h ILE 682 N -0.20 0.97 0.00 2.60 3.07 -1.62 -1.45 117.51 120.88 1rre h ILE 682 Ca 0.16 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 65.54 1rre h ILE 682 Cb 0.45 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1rre h ILE 682 CO -0.43 0.27 0.00 0.00 -1.05 0.00 0.00 178.15 176.94 1rre n ALA 683 N -2.38 1.84 0.00 0.16 0.00 -0.77 -1.32 120.51 118.04 1rre n ALA 683 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rre n ALA 683 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1rre n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rre h THR 686 N 0.00 1.05 -0.68 0.00 2.02 -1.47 -1.11 112.91 112.72 1rre h THR 686 Ca 0.00 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1rre h THR 686 Cb 0.00 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1rre h THR 686 CO 0.00 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.28 1rre h ALA 687 N 1.18 0.88 -0.18 6.16 0.00 -1.27 -0.37 119.26 125.67 1rre h ALA 687 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rre h ALA 687 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1rre h ALA 687 CO -0.07 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.58 1rre h LEU 688 N 0.95 0.30 -0.65 0.00 3.38 -1.74 0.19 115.31 117.74 1rre h LEU 688 Ca 0.23 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1rre h LEU 688 Cb 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1rre h LEU 688 CO -0.02 0.53 0.41 0.58 0.09 0.00 0.00 178.44 180.03 1rre h VAL 689 N 0.06 1.10 -0.28 1.22 2.07 -0.94 -1.54 116.25 117.95 1rre h VAL 689 Ca 0.05 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1rre h VAL 689 Cb 0.38 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1rre h VAL 689 CO 0.01 0.15 0.16 -1.28 0.02 0.00 0.00 177.57 176.63 1rre h SER 690 N 0.81 0.34 -0.35 0.57 0.87 -0.93 -1.27 113.55 113.59 1rre h SER 690 Ca 0.26 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1rre h SER 690 Cb -0.01 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1rre h SER 690 CO -0.09 0.31 0.15 0.00 -0.53 0.00 0.00 176.83 176.67 1rre h LEU 692 N 0.32 0.10 -0.09 0.00 3.38 -1.08 -3.30 115.31 114.64 1rre h LEU 692 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rre h LEU 692 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rre h LEU 692 CO -0.13 0.75 -0.85 0.35 0.09 0.00 0.00 178.44 178.66 1rre n THR 693 N -3.76 0.00 -1.12 0.22 -2.24 -0.50 -4.98 114.28 101.91 1rre n THR 693 Ca -0.02 -0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1rre n THR 693 Cb 0.67 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 1rre n THR 693 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rre n GLY 694 N 1.43 0.62 3.54 3.38 0.00 -0.09 -5.00 105.19 109.07 1rre n GLY 694 Ca 0.04 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1rre n GLY 694 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rre s ASN 695 N -2.36 6.40 0.70 1.61 3.04 -1.19 -5.03 114.94 118.10 1rre s ASN 695 Ca 0.00 -0.19 -0.16 0.00 0.04 0.00 0.00 52.86 52.56 1rre s ASN 695 Cb 0.00 -2.43 0.02 0.00 -1.54 0.00 0.00 41.25 37.30 1rre s ASN 695 CO 0.00 -1.11 1.20 -2.84 -3.04 0.00 0.00 177.10 171.31 1rre s PRO 696 N 3.73 2.37 0.06 0.43 0.02 -1.26 -4.50 135.00 135.85 1rre s PRO 696 Ca 0.32 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 1rre s PRO 696 Cb -0.12 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1rre s PRO 696 CO 0.22 -1.65 0.36 0.08 -0.33 0.00 0.00 177.00 175.68 1rre s VAL 697 N -1.93 5.15 -0.08 3.83 1.01 -1.26 -0.93 120.40 126.19 1rre s VAL 697 Ca 0.74 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1rre s VAL 697 Cb -0.29 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1rre s VAL 697 CO 0.42 0.32 1.13 -0.13 0.00 0.00 0.00 175.10 176.85 1rre s ARG 698 N -1.84 4.37 0.00 2.72 0.52 0.21 -4.83 118.95 120.11 1rre s ARG 698 Ca 0.31 1.57 0.29 0.00 -0.52 0.00 0.00 55.73 57.39 1rre s ARG 698 Cb -0.14 -3.55 1.37 0.00 0.52 0.00 0.00 34.95 33.15 1rre s ARG 698 CO 0.17 -0.41 1.98 0.00 0.02 0.00 0.00 175.30 177.07 1rre n ALA 699 N 5.15 2.39 1.94 2.13 0.00 -1.26 -2.54 120.51 128.32 1rre n ALA 699 Ca 0.10 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1rre n ALA 699 Cb 0.47 -1.47 0.83 0.00 0.00 0.00 0.00 19.45 19.27 1rre n ALA 699 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rre n ASP 700 N -1.39 0.17 -4.34 0.00 3.85 -1.26 -4.86 116.55 108.72 1rre n ASP 700 Ca 0.11 -1.14 -0.33 0.00 -0.71 0.00 0.00 54.79 52.72 1rre n ASP 700 Cb 0.28 -0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 39.91 1rre n ASP 700 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1rre s VAL 701 N -2.00 2.97 0.12 2.12 1.01 -1.05 -2.25 120.40 121.32 1rre s VAL 701 Ca 0.43 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1rre s VAL 701 Cb 0.20 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1rre s VAL 701 CO 0.34 0.52 0.07 0.00 0.00 0.00 0.00 175.10 176.03 1rre n ALA 702 N 3.70 0.17 -3.50 5.51 0.00 -0.14 -4.35 120.51 121.90 1rre n ALA 702 Ca -0.18 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1rre n ALA 702 Cb 0.52 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.16 1rre n ALA 702 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rre s THR 704 N -0.82 0.00 0.00 0.00 2.01 -0.76 -0.98 115.64 115.09 1rre s THR 704 Ca 0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1rre s THR 704 Cb -0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1rre s THR 704 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1rre n GLY 705 N 0.44 4.03 3.80 4.40 0.00 0.23 -3.84 105.19 114.25 1rre n GLY 705 Ca -0.16 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1rre n GLY 705 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rre s GLU 706 N -2.18 4.35 0.00 1.61 2.12 -1.07 -1.90 118.70 121.63 1rre s GLU 706 Ca 0.00 0.91 0.02 0.00 0.36 0.00 0.00 54.97 56.26 1rre s GLU 706 Cb 0.00 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1rre s GLU 706 CO 0.00 0.60 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.81 1rre s ILE 707 N -1.15 4.07 0.34 -3.70 1.10 -1.26 -1.02 121.20 119.58 1rre s ILE 707 Ca 0.33 -0.65 0.08 0.00 -0.51 0.00 0.00 60.65 59.90 1rre s ILE 707 Cb -0.21 -2.82 -0.04 0.00 0.15 0.00 0.00 42.46 39.55 1rre s ILE 707 CO 0.22 0.37 0.15 0.42 -2.11 0.00 0.00 174.94 173.99 1rre s THR 708 N -1.08 3.06 0.52 4.00 -4.23 -0.68 -4.93 115.64 112.30 1rre s THR 708 Ca 0.19 -1.67 0.20 0.00 -1.18 0.00 0.00 61.69 59.23 1rre s THR 708 Cb -0.11 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1rre s THR 708 CO 0.10 -0.18 2.14 -0.07 -0.54 0.00 0.00 174.62 176.07 1rre h LEU 709 N 1.53 0.00 0.00 4.79 3.38 -1.90 -1.37 115.31 121.73 1rre h LEU 709 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rre h LEU 709 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1rre h LEU 709 CO 0.63 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.74 1rre n ARG 710 N -4.26 0.83 -0.59 1.13 1.74 -1.26 -4.67 116.66 109.57 1rre n ARG 710 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1rre n ARG 710 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1rre n ARG 710 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rre n GLY 711 N 0.92 0.73 3.83 -0.13 0.00 -0.52 -4.96 105.19 105.05 1rre n GLY 711 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1rre n GLY 711 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rre s GLN 712 N -0.41 4.11 -0.22 1.61 0.74 -1.26 -0.32 119.66 123.91 1rre s GLN 712 Ca 0.00 1.07 -0.05 0.00 0.05 0.00 0.00 55.36 56.44 1rre s GLN 712 Cb 0.00 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 1rre s GLN 712 CO 0.00 -0.14 -0.01 0.08 -0.55 0.00 0.00 175.29 174.67 1rre s VAL 713 N -2.33 3.70 0.11 1.34 1.01 -0.36 -1.68 120.40 122.19 1rre s VAL 713 Ca 0.61 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1rre s VAL 713 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1rre s VAL 713 CO 0.20 0.41 0.12 -0.76 0.00 0.00 0.00 175.10 175.08 1rre s LEU 714 N 1.31 3.90 0.62 3.92 1.43 -0.19 -4.66 118.68 125.01 1rre s LEU 714 Ca 0.04 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 1rre s LEU 714 Cb -0.15 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1rre s LEU 714 CO -0.00 0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.70 1rre s PRO 715 N -2.69 2.89 0.47 1.29 0.04 -1.26 -2.61 135.00 133.13 1rre s PRO 715 Ca 0.31 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1rre s PRO 715 Cb -0.11 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1rre s PRO 715 CO 0.23 -1.22 0.02 0.96 0.04 0.00 0.00 177.00 177.03 1rre s ILE 716 N -1.94 1.56 0.45 0.56 -5.25 -1.26 -4.76 121.20 110.56 1rre s ILE 716 Ca 0.72 -1.98 0.08 0.00 -0.99 0.00 0.00 60.65 58.48 1rre s ILE 716 Cb -0.25 -2.55 0.02 0.00 2.95 0.00 0.00 42.46 42.63 1rre s ILE 716 CO 0.36 0.00 0.56 -0.83 -1.79 0.00 0.00 174.94 173.24 1rre s GLY 717 N -3.81 1.97 -1.45 6.27 0.00 -1.26 -4.73 107.32 104.31 1rre s GLY 717 Ca 0.20 -1.78 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 1rre s GLY 717 CO 0.10 -1.59 0.94 0.61 0.00 0.00 0.00 173.10 173.16 1rre n GLY 718 N -1.85 -0.54 0.32 0.20 0.00 -1.26 -4.91 105.19 97.15 1rre n GLY 718 Ca 0.08 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1rre n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rre h LEU 719 N -2.15 0.81 -0.08 0.99 6.46 -1.97 -2.71 115.31 116.67 1rre h LEU 719 Ca -0.55 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.26 1rre h LEU 719 Cb 1.37 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 1rre h LEU 719 CO 0.57 0.51 -0.42 0.50 -0.62 0.00 0.00 178.44 178.98 1rre h LYS 720 N 0.94 -0.51 -0.73 1.25 3.64 -1.90 -0.65 116.57 118.60 1rre h LYS 720 Ca 0.37 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.82 1rre h LYS 720 Cb 0.19 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1rre h LYS 720 CO -0.18 -0.34 0.46 0.93 -2.27 0.00 0.00 179.45 178.05 1rre h GLU 721 N -0.53 0.88 -0.26 1.90 5.08 -1.83 -0.04 114.58 119.78 1rre h GLU 721 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1rre h GLU 721 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1rre h GLU 721 CO -0.36 0.58 0.04 0.87 -1.00 0.00 0.00 179.01 179.14 1rre h LYS 722 N 0.91 0.44 -0.04 2.33 1.57 -1.19 -1.68 116.57 118.91 1rre h LYS 722 Ca 0.29 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1rre h LYS 722 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1rre h LYS 722 CO -0.10 0.56 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.59 1rre h LEU 723 N 0.24 0.22 -0.60 2.94 4.07 -0.87 -0.95 115.31 120.36 1rre h LEU 723 Ca 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1rre h LEU 723 Cb 0.34 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1rre h LEU 723 CO 0.01 0.83 0.28 -0.07 -1.08 0.00 0.00 178.44 178.41 1rre h LEU 724 N 0.13 0.80 -0.55 1.67 4.07 -0.95 -2.03 115.31 118.44 1rre h LEU 724 Ca -0.02 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.66 1rre h LEU 724 Cb 1.21 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1rre h LEU 724 CO 0.10 0.71 -0.45 0.00 -1.08 0.00 0.00 178.44 177.73 1rre h ALA 725 N 1.12 0.73 -0.50 1.53 0.00 -1.09 -0.81 119.26 120.25 1rre h ALA 725 Ca 0.21 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rre h ALA 725 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1rre h ALA 725 CO -0.02 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.17 1rre h ALA 726 N 0.97 0.63 -0.22 0.00 0.00 -1.14 -0.24 119.26 119.26 1rre h ALA 726 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rre h ALA 726 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rre h ALA 726 CO 0.09 -0.03 0.02 1.25 0.00 0.00 0.00 179.25 180.57 1rre h HIS 727 N 0.56 0.41 -0.87 0.00 6.17 -1.08 -2.03 115.15 118.31 1rre h HIS 727 Ca 0.21 -0.07 0.05 0.00 0.71 0.00 0.00 60.37 61.27 1rre h HIS 727 Cb 0.05 -0.11 -0.05 0.00 2.52 0.00 0.00 27.41 29.82 1rre h HIS 727 CO -0.08 0.54 0.57 -0.09 0.71 0.00 0.00 177.93 179.58 1rre h ARG 728 N 0.16 1.01 0.00 5.26 9.65 -1.13 -1.40 114.38 127.93 1rre h ARG 728 Ca 0.06 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1rre h ARG 728 Cb 0.37 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1rre h ARG 728 CO 0.01 0.67 0.00 0.41 2.80 0.00 0.00 179.97 183.85 1rre n GLY 729 N -1.40 -0.94 1.90 2.80 0.00 -0.11 -4.89 105.19 102.55 1rre n GLY 729 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1rre n GLY 729 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rre n GLY 730 N 0.21 0.42 3.73 -0.02 0.00 -0.53 -5.03 105.19 103.98 1rre n GLY 730 Ca 0.07 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1rre n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rre s ILE 731 N -2.00 4.45 -0.04 -0.61 -1.09 -0.81 -4.96 121.20 116.13 1rre s ILE 731 Ca 0.00 2.06 -0.05 0.00 -2.23 0.00 0.00 60.65 60.43 1rre s ILE 731 Cb 0.00 -4.32 -0.28 0.00 -1.58 0.00 0.00 42.46 36.28 1rre s ILE 731 CO 0.00 0.34 0.68 0.11 -1.23 0.00 0.00 174.94 174.84 1rre h LYS 732 N 5.38 0.28 -4.68 2.79 1.57 -1.87 -3.42 116.57 116.61 1rre h LYS 732 Ca -0.43 -0.47 -0.51 0.00 -1.87 0.00 0.00 60.65 57.37 1rre h LYS 732 Cb 1.21 0.18 -0.33 0.00 0.08 0.00 0.00 32.23 33.37 1rre h LYS 732 CO 0.71 1.14 -0.81 0.99 -0.57 0.00 0.00 179.45 180.91 1rre s THR 733 N -2.59 1.14 -0.03 -0.16 2.01 -0.95 -0.93 115.64 114.12 1rre s THR 733 Ca -0.14 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1rre s THR 733 Cb 0.06 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 1rre s THR 733 CO 0.83 0.35 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.30 1rre s VAL 734 N 0.49 1.04 -0.15 3.82 1.01 -0.46 -0.96 120.40 125.19 1rre s VAL 734 Ca -0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1rre s VAL 734 Cb -0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1rre s VAL 734 CO 0.03 0.31 0.22 -0.76 0.00 0.00 0.00 175.10 174.90 1rre s LEU 735 N 0.08 4.28 0.05 3.92 1.43 -0.15 -1.26 118.68 127.03 1rre s LEU 735 Ca -0.02 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1rre s LEU 735 Cb -0.09 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1rre s LEU 735 CO 0.01 0.21 -0.04 0.27 0.23 0.00 0.00 176.35 177.02 1rre s ILE 736 N -0.01 0.33 0.35 -0.59 -4.36 -0.91 -1.83 121.20 114.19 1rre s ILE 736 Ca 0.14 -1.44 -0.28 0.00 -0.26 0.00 0.00 60.65 58.81 1rre s ILE 736 Cb -0.13 -1.02 -0.12 0.00 1.25 0.00 0.00 42.46 42.45 1rre s ILE 736 CO 0.03 -0.72 1.42 -2.65 0.24 0.00 0.00 174.94 173.26 1rre n PRO 737 N 0.76 2.45 -0.30 0.37 -0.02 -1.25 -1.25 135.00 135.75 1rre n PRO 737 Ca -0.18 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1rre n PRO 737 Cb 0.58 -2.54 0.43 0.00 -0.02 0.00 0.00 33.50 31.96 1rre n PRO 737 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1rre h PHE 738 N 3.06 0.77 0.00 6.00 3.57 -1.43 0.96 116.94 129.87 1rre h PHE 738 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1rre h PHE 738 Cb 1.26 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1rre h PHE 738 CO 0.53 0.18 0.00 0.39 -2.23 0.00 0.00 178.31 177.17 1rre n GLU 739 N -4.62 0.47 -0.01 1.11 -0.58 -1.26 -2.08 120.64 113.67 1rre n GLU 739 Ca 0.22 0.04 0.13 0.00 -0.42 0.00 0.00 57.16 57.13 1rre n GLU 739 Cb 0.67 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 30.46 1rre n GLU 739 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1rre n ASN 740 N -1.21 1.88 -0.23 1.62 4.13 0.33 -4.48 115.26 117.30 1rre n ASN 740 Ca 0.14 -1.63 0.03 0.00 1.68 0.00 0.00 54.58 54.80 1rre n ASN 740 Cb 0.17 -0.01 0.14 0.00 -1.54 0.00 0.00 39.78 38.54 1rre n ASN 740 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1rre h LYS 741 N 2.91 0.14 -0.83 3.52 1.57 -1.52 -1.45 116.57 120.91 1rre h LYS 741 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1rre h LYS 741 Cb 0.62 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1rre h LYS 741 CO 0.00 0.09 0.54 0.07 -0.57 0.00 0.00 179.45 179.58 1rre h ARG 742 N 0.14 0.86 0.00 3.15 0.11 -1.85 -1.91 114.38 114.88 1rre h ARG 742 Ca 0.37 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 1rre h ARG 742 Cb 0.63 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 1rre h ARG 742 CO -0.57 0.57 -0.07 -0.44 0.10 0.00 0.00 179.97 179.56 1rre h ASP 743 N 0.89 0.00 -0.68 0.08 3.32 -1.56 -1.30 116.42 117.17 1rre h ASP 743 Ca 0.36 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.52 1rre h ASP 743 Cb 0.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1rre h ASP 743 CO -0.14 0.07 0.45 -0.07 -1.72 0.00 0.00 179.24 177.83 1rre h LEU 744 N 0.00 0.45 -0.84 1.55 3.38 -1.35 -2.88 115.31 115.61 1rre h LEU 744 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rre h LEU 744 Cb 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rre h LEU 744 CO 0.01 0.27 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 1rre n GLU 745 N -4.48 0.11 -0.39 1.13 -0.58 -0.49 -1.67 120.64 114.28 1rre n GLU 745 Ca 0.11 0.53 0.09 0.00 -0.42 0.00 0.00 57.16 57.47 1rre n GLU 745 Cb 0.38 -1.81 0.24 0.00 -0.57 0.00 0.00 31.44 29.68 1rre n GLU 745 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rre n GLU 746 N -2.03 2.62 -4.56 3.49 4.71 -1.09 -4.92 120.64 118.86 1rre n GLU 746 Ca 0.00 -2.81 -0.34 0.00 -0.01 0.00 0.00 57.16 54.01 1rre n GLU 746 Cb 0.09 -1.79 -0.11 0.00 -1.01 0.00 0.00 31.44 28.61 1rre n GLU 746 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1rre s ILE 747 N -2.85 3.77 0.10 -3.67 1.01 -0.67 -5.01 121.20 113.88 1rre s ILE 747 Ca 0.41 -0.44 -0.36 0.00 0.00 0.00 0.00 60.65 60.26 1rre s ILE 747 Cb 0.33 -2.57 -0.17 0.00 0.01 0.00 0.00 42.46 40.06 1rre s ILE 747 CO 0.08 0.57 1.15 -2.65 0.00 0.00 0.00 174.94 174.08 1rre n PRO 748 N 2.62 0.77 0.23 2.79 -0.02 -1.26 -4.85 135.00 135.28 1rre n PRO 748 Ca -0.18 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1rre n PRO 748 Cb 0.53 -1.78 0.56 0.00 -0.02 0.00 0.00 33.50 32.79 1rre n PRO 748 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rre h ASP 749 N 3.47 0.00 -0.04 2.55 3.32 -1.94 -2.73 116.42 121.04 1rre h ASP 749 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1rre h ASP 749 Cb 1.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1rre h ASP 749 CO 0.70 0.15 -0.08 -0.55 -1.72 0.00 0.00 179.24 177.74 1rre h ASN 750 N 0.00 0.27 0.00 6.45 7.08 -1.99 0.22 115.58 127.61 1rre h ASN 750 Ca -0.00 -0.05 -0.05 0.00 -3.08 0.00 0.00 56.30 53.12 1rre h ASN 750 Cb 0.29 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 1rre h ASN 750 CO 0.02 0.39 -0.19 0.58 -2.08 0.00 0.00 177.43 176.16 1rre h VAL 751 N 0.28 1.58 -0.24 6.14 2.07 -1.86 -3.27 116.25 120.94 1rre h VAL 751 Ca 0.06 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 1rre h VAL 751 Cb 0.33 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1rre h VAL 751 CO 0.02 0.53 -0.08 0.40 0.02 0.00 0.00 177.57 178.46 1rre h ILE 752 N -0.60 1.19 -0.41 4.57 1.08 -1.36 -1.64 117.51 120.35 1rre h ILE 752 Ca -0.02 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1rre h ILE 752 Cb 0.96 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1rre h ILE 752 CO 0.04 0.26 0.25 0.00 -0.69 0.00 0.00 178.15 178.01 1rre h ALA 753 N 1.56 1.65 -0.00 1.87 0.00 -0.67 -2.47 119.26 121.20 1rre h ALA 753 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rre h ALA 753 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rre h ALA 753 CO 0.02 0.30 -0.03 -0.25 0.00 0.00 0.00 179.25 179.29 1rre n ASP 754 N -4.45 0.43 -4.43 0.00 8.00 -0.62 -4.86 116.55 110.61 1rre n ASP 754 Ca 0.03 -0.93 -0.33 0.00 0.71 0.00 0.00 54.79 54.27 1rre n ASP 754 Cb 0.08 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 1rre n ASP 754 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rre s LEU 755 N -2.16 2.74 -0.64 0.64 1.43 -0.93 -4.90 118.68 114.86 1rre s LEU 755 Ca 0.40 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.01 1rre s LEU 755 Cb 0.21 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.90 1rre s LEU 755 CO 0.40 0.26 1.00 -0.62 0.23 0.00 0.00 176.35 177.61 1rre s ASP 756 N -0.23 6.22 -0.23 2.29 2.15 -0.10 -4.96 116.67 121.81 1rre s ASP 756 Ca 0.01 -0.74 -0.09 0.00 0.43 0.00 0.00 52.55 52.17 1rre s ASP 756 Cb -0.13 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1rre s ASP 756 CO 0.03 -1.43 0.11 -0.63 -0.17 0.00 0.00 175.17 173.08 1rre s ILE 757 N 4.24 4.89 -0.42 4.11 1.01 -1.26 -1.35 121.20 132.42 1rre s ILE 757 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1rre s ILE 757 Cb -0.15 -3.26 0.11 0.00 0.01 0.00 0.00 42.46 39.17 1rre s ILE 757 CO 0.13 0.37 0.21 -1.00 0.00 0.00 0.00 174.94 174.65 1rre s HIS 758 N 1.07 3.59 0.12 3.97 3.76 -0.39 -4.99 115.29 122.42 1rre s HIS 758 Ca 0.06 -2.51 -0.30 0.00 -0.15 0.00 0.00 55.06 52.16 1rre s HIS 758 Cb -0.14 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.29 1rre s HIS 758 CO 0.04 -0.96 1.18 -2.14 -0.85 0.00 0.00 174.74 172.01 1rre s PRO 759 N 1.01 4.48 0.01 8.40 0.02 -1.26 -2.14 135.00 145.52 1rre s PRO 759 Ca 0.09 1.79 0.05 0.00 0.02 0.00 0.00 61.00 62.96 1rre s PRO 759 Cb -0.22 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 30.98 1rre s PRO 759 CO -0.04 -0.14 -0.16 0.14 -0.33 0.00 0.00 177.00 176.46 1rre s VAL 760 N 0.47 1.30 -0.14 3.83 -7.23 -0.38 -4.75 120.40 113.50 1rre s VAL 760 Ca 0.55 -0.84 0.19 0.00 -1.81 0.00 0.00 61.98 60.07 1rre s VAL 760 Cb -0.30 -1.11 -0.26 0.00 0.56 0.00 0.00 36.38 35.26 1rre s VAL 760 CO 0.32 0.26 0.29 0.29 -0.31 0.00 0.00 175.10 175.95 1rre n LYS 761 N 2.38 0.67 -3.84 4.82 5.02 -1.26 -1.23 118.16 124.72 1rre n LYS 761 Ca -0.16 -0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 1rre n LYS 761 Cb 0.54 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1rre n LYS 761 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rre s ARG 762 N -2.86 0.71 0.34 1.97 0.52 -1.26 -1.23 118.95 117.15 1rre s ARG 762 Ca -0.08 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1rre s ARG 762 Cb 0.09 0.30 0.61 0.00 0.52 0.00 0.00 34.95 36.46 1rre s ARG 762 CO 0.85 -0.21 1.93 0.97 0.02 0.00 0.00 175.30 178.86 1rre h ILE 763 N 3.38 1.18 -0.82 1.52 6.09 -1.01 -2.54 117.51 125.31 1rre h ILE 763 Ca -0.32 -0.57 0.10 0.00 -1.37 0.00 0.00 64.86 62.70 1rre h ILE 763 Cb 1.19 0.63 -0.06 0.00 0.47 0.00 0.00 36.82 39.06 1rre h ILE 763 CO 0.49 0.22 0.53 1.05 -3.07 0.00 0.00 178.15 177.37 1rre h GLU 764 N 0.67 0.73 -0.26 2.19 9.09 -1.98 -0.66 114.58 124.36 1rre h GLU 764 Ca 0.16 -0.04 -0.18 0.00 0.05 0.00 0.00 59.36 59.35 1rre h GLU 764 Cb 0.15 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.08 1rre h GLU 764 CO -0.01 0.49 -0.55 0.93 0.05 0.00 0.00 179.01 179.91 1rre h GLU 765 N 0.76 0.80 -0.73 1.06 5.08 -1.87 -2.46 114.58 117.22 1rre h GLU 765 Ca 0.38 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1rre h GLU 765 Cb 0.46 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1rre h GLU 765 CO -0.15 1.14 0.20 -0.39 -1.00 0.00 0.00 179.01 178.81 1rre h VAL 766 N 0.61 1.26 -0.56 3.13 -1.51 -1.17 -2.50 116.25 115.52 1rre h VAL 766 Ca 0.01 -0.95 -0.09 0.00 -1.23 0.00 0.00 66.70 64.44 1rre h VAL 766 Cb 1.15 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 1rre h VAL 766 CO 0.12 0.37 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.74 1rre h LEU 767 N 1.09 0.95 -0.88 4.19 3.38 -1.14 -0.04 115.31 122.87 1rre h LEU 767 Ca 0.23 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1rre h LEU 767 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1rre h LEU 767 CO -0.00 1.02 0.18 0.74 0.09 0.00 0.00 178.44 180.46 1rre h THR 768 N 0.89 1.25 0.01 0.22 2.02 -1.38 -2.03 112.91 113.89 1rre h THR 768 Ca 0.16 -0.88 -0.23 0.00 0.77 0.00 0.00 66.41 66.23 1rre h THR 768 Cb 0.54 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1rre h THR 768 CO 0.03 0.34 -1.16 -0.07 0.37 0.00 0.00 175.52 175.02 1rre h LEU 769 N 0.96 0.04 0.00 2.58 3.38 -1.06 -3.38 115.31 117.83 1rre h LEU 769 Ca 0.21 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1rre h LEU 769 Cb 0.31 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1rre h LEU 769 CO -0.00 1.04 -1.94 0.00 0.09 0.00 0.00 178.44 177.63 1rre n ALA 770 N -2.41 1.86 -2.43 1.53 0.00 -0.06 -4.91 120.51 114.10 1rre n ALA 770 Ca -0.04 -0.88 -0.38 0.00 0.00 0.00 0.00 53.44 52.13 1rre n ALA 770 Cb 0.97 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1rre n ALA 770 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rre s LEU 771 N -5.48 4.47 0.07 0.00 1.43 -0.77 -0.62 118.68 117.78 1rre s LEU 771 Ca -0.07 1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1rre s LEU 771 Cb 0.08 -2.79 -0.16 0.00 0.03 0.00 0.00 46.19 43.35 1rre s LEU 771 CO 0.84 0.23 1.67 -0.61 0.23 0.00 0.00 176.35 178.70 1rre h GLN 772 N 5.03 -0.04 -5.80 1.70 4.15 -1.34 -3.42 115.11 115.39 1rre h GLN 772 Ca -0.48 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.30 1rre h GLN 772 Cb 1.21 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.85 1rre h GLN 772 CO 0.65 0.04 -0.40 -0.80 -1.93 0.00 0.00 178.83 176.39 1rre s ASN 773 N -5.22 6.50 -0.03 -0.69 0.01 -1.26 -5.04 114.94 109.20 1rre s ASN 773 Ca -0.14 0.58 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 1rre s ASN 773 Cb 0.05 -2.10 -0.07 0.00 0.41 0.00 0.00 41.25 39.54 1rre s ASN 773 CO 0.66 0.33 1.87 -0.70 -1.51 0.00 0.00 177.10 177.75 1rre s GLU 774 N -1.35 4.04 0.00 -0.60 2.12 -1.26 -5.00 118.70 116.64 1rre s GLU 774 Ca 0.22 2.35 0.11 0.00 0.36 0.00 0.00 54.97 58.01 1rre s GLU 774 Cb -0.13 -4.12 0.65 0.00 0.26 0.00 0.00 34.13 30.79 1rre s GLU 774 CO 0.11 -1.05 1.08 -0.35 -0.54 0.00 0.00 175.26 174.51