#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 4.03 0.00 1.55 1.01 -1.26 -1.62 120.40 124.12 1rre s VAL 595 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1rre s VAL 595 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1rre s VAL 595 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1rre n GLY 596 N 3.64 0.97 3.49 4.51 0.00 -1.26 -4.83 105.19 111.70 1rre n GLY 596 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1rre n GLY 596 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rre s GLN 597 N -0.27 3.70 0.01 1.61 2.00 -1.24 -1.56 119.66 123.92 1rre s GLN 597 Ca 0.00 -0.48 0.02 0.00 -2.00 0.00 0.00 55.36 52.90 1rre s GLN 597 Cb 0.00 -3.14 -0.01 0.00 0.80 0.00 0.00 33.01 30.66 1rre s GLN 597 CO 0.00 0.04 -0.06 0.08 -0.50 0.00 0.00 175.29 174.85 1rre s VAL 598 N 0.95 0.41 -0.38 1.34 1.01 -0.69 -4.68 120.40 118.37 1rre s VAL 598 Ca 0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1rre s VAL 598 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1rre s VAL 598 CO 0.02 -0.08 0.46 -0.89 0.00 0.00 0.00 175.10 174.61 1rre s THR 599 N -0.56 5.07 0.29 3.92 2.01 -1.26 -1.19 115.64 123.91 1rre s THR 599 Ca -0.03 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1rre s THR 599 Cb -0.05 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1rre s THR 599 CO -0.00 -0.28 0.31 -0.83 -0.69 0.00 0.00 174.62 173.13 1rre s GLY 600 N 1.79 1.54 -0.19 4.40 0.00 -0.37 -4.28 107.32 110.20 1rre s GLY 600 Ca 0.15 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1rre s GLY 600 CO 0.13 -1.45 -0.13 1.08 0.00 0.00 0.00 173.10 172.73 1rre s LEU 601 N -3.98 2.30 0.00 0.66 1.43 -1.26 -0.74 118.68 117.09 1rre s LEU 601 Ca 0.38 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1rre s LEU 601 Cb -0.08 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1rre s LEU 601 CO 0.27 -0.10 0.82 0.00 0.23 0.00 0.00 176.35 177.57 1rre n ALA 602 N 4.65 -1.92 -2.57 4.21 0.00 -1.02 -4.41 120.51 119.45 1rre n ALA 602 Ca -0.16 -1.21 -0.40 0.00 0.00 0.00 0.00 53.44 51.66 1rre n ALA 602 Cb 0.47 0.93 -0.04 0.00 0.00 0.00 0.00 19.45 20.81 1rre n ALA 602 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1rre s TRP 603 N -2.22 3.67 0.30 0.00 -0.00 -1.22 -3.16 118.94 116.30 1rre s TRP 603 Ca 0.17 1.47 0.04 0.00 -0.00 0.00 0.00 56.10 57.78 1rre s TRP 603 Cb -0.05 -2.90 -0.06 0.00 -0.00 0.00 0.00 33.47 30.46 1rre s TRP 603 CO 0.11 0.14 0.04 0.95 -0.00 0.00 0.00 176.95 178.18 1rre s THR 604 N 0.50 1.16 0.09 5.86 -4.23 0.88 -1.60 115.64 118.29 1rre s THR 604 Ca 0.42 -2.02 -0.35 0.00 -1.18 0.00 0.00 61.69 58.56 1rre s THR 604 Cb -0.20 -2.66 -0.16 0.00 1.34 0.00 0.00 72.50 70.82 1rre s THR 604 CO 0.23 -0.09 1.56 -0.08 -0.54 0.00 0.00 174.62 175.70 1rre h GLU 605 N 2.22 -0.86 -5.02 3.99 4.57 -1.88 -1.50 114.58 116.10 1rre h GLU 605 Ca -0.40 0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.60 1rre h GLU 605 Cb 1.24 0.20 0.06 0.00 -0.16 0.00 0.00 28.75 30.09 1rre h GLU 605 CO 0.68 -0.58 0.78 1.33 -1.18 0.00 0.00 179.01 180.04 1rre n VAL 606 N -5.53 0.00 -2.10 0.32 0.24 -1.26 -4.93 118.33 105.07 1rre n VAL 606 Ca -0.10 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1rre n VAL 606 Cb 0.44 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1rre n VAL 606 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rre n GLY 607 N 4.98 -0.31 1.76 7.63 0.00 -0.57 -4.00 105.19 114.69 1rre n GLY 607 Ca 0.31 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1rre n GLY 607 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rre n GLY 608 N 0.00 2.98 1.43 -0.02 0.00 -1.26 -0.09 105.19 108.23 1rre n GLY 608 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 1rre n GLY 608 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rre n ASP 609 N 1.59 -1.85 -4.87 1.61 8.00 -1.19 -4.21 116.55 115.63 1rre n ASP 609 Ca 0.19 -0.18 -0.27 0.00 0.71 0.00 0.00 54.79 55.24 1rre n ASP 609 Cb 0.63 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1rre n ASP 609 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rre s LEU 610 N 0.00 4.09 -0.07 0.64 0.05 -1.26 -2.44 118.68 119.69 1rre s LEU 610 Ca 0.14 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.41 1rre s LEU 610 Cb -0.02 -2.69 0.00 0.00 -2.05 0.00 0.00 46.19 41.43 1rre s LEU 610 CO 0.11 0.08 -0.19 -0.76 -0.55 0.00 0.00 176.35 175.05 1rre s LEU 611 N -3.01 1.92 -0.72 1.48 1.43 0.08 -4.95 118.68 114.90 1rre s LEU 611 Ca 0.33 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 1rre s LEU 611 Cb -0.11 -1.14 0.13 0.00 0.03 0.00 0.00 46.19 45.10 1rre s LEU 611 CO 0.26 0.13 0.82 0.42 0.23 0.00 0.00 176.35 178.21 1rre s THR 612 N 0.34 4.95 0.06 5.49 -4.23 -1.26 -1.24 115.64 119.75 1rre s THR 612 Ca -0.13 -1.41 -0.24 0.00 -1.18 0.00 0.00 61.69 58.72 1rre s THR 612 Cb -0.16 -4.56 -0.06 0.00 1.34 0.00 0.00 72.50 69.06 1rre s THR 612 CO 0.06 -1.21 0.75 -0.63 -0.54 0.00 0.00 174.62 173.04 1rre s ILE 613 N 2.21 4.69 0.08 2.99 1.01 -0.34 -3.68 121.20 128.16 1rre s ILE 613 Ca 0.18 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.50 1rre s ILE 613 Cb -0.17 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1rre s ILE 613 CO -0.00 0.40 -0.20 -1.61 0.00 0.00 0.00 174.94 173.53 1rre s GLU 614 N -0.29 1.18 -0.03 2.79 2.02 0.04 -1.70 118.70 122.71 1rre s GLU 614 Ca 0.37 -1.06 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 1rre s GLU 614 Cb -0.21 -1.37 0.01 0.00 0.10 0.00 0.00 34.13 32.66 1rre s GLU 614 CO 0.23 0.33 0.16 0.95 0.02 0.00 0.00 175.26 176.94 1rre s THR 615 N -1.04 0.04 -0.03 3.63 -4.23 -0.60 -1.05 115.64 112.37 1rre s THR 615 Ca 0.06 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1rre s THR 615 Cb -0.10 -0.35 -0.00 0.00 1.34 0.00 0.00 72.50 73.39 1rre s THR 615 CO 0.03 -0.20 -0.13 0.00 -0.54 0.00 0.00 174.62 173.78 1rre s ALA 616 N -0.69 1.18 -0.29 3.99 0.00 -0.20 -4.72 121.76 121.04 1rre s ALA 616 Ca -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1rre s ALA 616 Cb -0.05 -0.37 0.08 0.00 0.00 0.00 0.00 23.12 22.79 1rre s ALA 616 CO 0.01 0.24 0.02 0.00 0.00 0.00 0.00 175.76 176.03 1rre s VAL 618 N 1.31 2.47 0.08 0.00 -7.23 -0.74 -4.95 120.40 111.35 1rre s VAL 618 Ca 0.04 -2.37 -0.37 0.00 -1.81 0.00 0.00 61.98 57.47 1rre s VAL 618 Cb -0.18 -2.29 -0.17 0.00 0.56 0.00 0.00 36.38 34.30 1rre s VAL 618 CO -0.12 -0.37 1.30 -2.65 -0.31 0.00 0.00 175.10 172.95 1rre n PRO 619 N -0.54 1.04 0.00 4.82 -0.02 -1.26 -1.18 135.00 137.87 1rre n PRO 619 Ca -0.06 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1rre n PRO 619 Cb 0.60 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.40 1.47 0.43 -1.23 0.00 -0.33 -4.48 105.19 103.45 1rre n GLY 620 Ca 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1rre n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rre n LYS 621 N 0.00 0.12 -0.64 1.61 5.02 -1.26 -3.84 118.16 119.17 1rre n LYS 621 Ca 0.00 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 1rre n LYS 621 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1rre n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rre n GLY 622 N -0.12 0.61 3.79 0.72 0.00 -0.28 -4.83 105.19 105.08 1rre n GLY 622 Ca 0.01 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.20 4.43 -0.16 1.61 1.02 -1.23 -4.94 119.74 119.26 1rre s LYS 623 Ca 0.00 1.01 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 1rre s LYS 623 Cb 0.00 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1rre s LYS 623 CO 0.00 0.56 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.70 1rre s LEU 624 N -1.29 2.66 0.03 3.17 0.20 -1.26 -0.63 118.68 121.56 1rre s LEU 624 Ca 0.35 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 54.84 1rre s LEU 624 Cb -0.21 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1rre s LEU 624 CO 0.24 0.08 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.30 1rre s THR 625 N 0.84 1.55 -0.03 3.68 2.01 0.86 -4.97 115.64 119.59 1rre s THR 625 Ca -0.04 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 1rre s THR 625 Cb -0.15 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.04 1rre s THR 625 CO 0.00 0.22 0.05 -0.72 -0.69 0.00 0.00 174.62 173.48 1rre s TYR 626 N -0.74 -0.01 0.14 4.92 -0.85 -1.26 -1.36 117.35 118.20 1rre s TYR 626 Ca 0.07 0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.78 1rre s TYR 626 Cb -0.08 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 1rre s TYR 626 CO 0.01 -0.09 0.09 0.95 -1.52 0.00 0.00 175.55 174.99 1rre s THR 627 N 0.94 0.09 0.00 -3.49 -4.23 -0.27 -4.98 115.64 103.70 1rre s THR 627 Ca -0.08 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1rre s THR 627 Cb -0.11 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1rre s THR 627 CO -0.03 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1rre n GLY 628 N -0.12 0.89 3.64 3.99 0.00 -1.26 -1.50 105.19 110.82 1rre n GLY 628 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.43 -4.75 1.61 7.64 -1.24 -4.49 113.62 109.96 1rre n SER 629 Ca 0.00 -0.83 -0.38 0.00 1.01 0.00 0.00 58.87 58.67 1rre n SER 629 Cb 0.00 -4.12 -0.06 0.00 -1.01 0.00 0.00 64.21 59.02 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 -6.49 4.35 0.79 -3.43 1.43 -1.26 -1.32 118.68 112.75 1rre s LEU 630 Ca 0.13 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 1rre s LEU 630 Cb -0.03 -2.72 0.08 0.00 0.03 0.00 0.00 46.19 43.54 1rre s LEU 630 CO 0.81 0.09 1.15 -0.83 0.23 0.00 0.00 176.35 177.80 1rre s GLY 631 N 0.12 1.61 0.20 -3.19 0.00 -0.28 -4.81 107.32 100.97 1rre s GLY 631 Ca 0.27 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 1rre s GLY 631 CO 0.12 -0.24 1.79 0.83 0.00 0.00 0.00 173.10 175.60 1rre h GLU 632 N -0.98 0.53 -1.03 2.90 5.08 -1.98 -1.30 114.58 117.79 1rre h GLU 632 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1rre h GLU 632 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1rre h GLU 632 CO 0.64 0.35 0.00 0.28 -1.00 0.00 0.00 179.01 179.28 1rre n VAL 633 N -4.87 0.14 0.00 3.13 0.31 -1.26 -1.53 118.33 114.25 1rre n VAL 633 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1rre n VAL 633 Cb 0.17 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 0.63 0.00 0.11 5.55 6.02 -0.49 -1.30 117.38 127.90 1rre n GLN 635 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1rre n GLN 635 Cb 0.10 0.00 0.45 0.00 1.02 0.00 0.00 30.24 31.81 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 0.30 -0.46 -1.09 5.08 -1.55 -1.50 114.58 115.36 1rre h GLU 636 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1rre h GLU 636 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1rre h GLU 636 CO 0.00 0.29 0.16 0.66 -1.00 0.00 0.00 179.01 179.13 1rre h SER 637 N 0.30 0.60 -0.46 1.42 4.64 -1.47 -0.27 113.55 118.30 1rre h SER 637 Ca 0.07 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1rre h SER 637 Cb 0.15 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1rre h SER 637 CO -0.00 0.56 -0.12 0.40 -0.87 0.00 0.00 176.83 176.80 1rre h ILE 638 N 0.65 1.27 -0.50 0.95 2.04 -1.59 0.18 117.51 120.51 1rre h ILE 638 Ca 0.16 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1rre h ILE 638 Cb 0.16 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1rre h ILE 638 CO -0.01 0.43 0.23 1.56 0.00 0.00 0.00 178.15 180.35 1rre h GLN 639 N 0.74 0.74 -0.40 2.37 4.20 -0.96 -1.07 115.11 120.73 1rre h GLN 639 Ca 0.12 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1rre h GLN 639 Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1rre h GLN 639 CO 0.05 0.63 0.15 0.00 -0.67 0.00 0.00 178.83 178.99 1rre h ALA 640 N 1.07 0.52 -0.53 3.87 0.00 -0.96 -2.60 119.26 120.63 1rre h ALA 640 Ca 0.17 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1rre h ALA 640 Cb 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1rre h ALA 640 CO -0.02 0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.61 1rre h ALA 641 N 0.99 0.68 -0.80 0.00 0.00 -0.46 -1.65 119.26 118.02 1rre h ALA 641 Ca 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1rre h ALA 641 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1rre h ALA 641 CO -0.01 -0.14 0.38 1.25 0.00 0.00 0.00 179.25 180.73 1rre h LEU 642 N 0.45 1.05 -0.87 0.00 5.85 -1.04 -2.33 115.31 118.42 1rre h LEU 642 Ca 0.25 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1rre h LEU 642 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1rre h LEU 642 CO -0.21 0.89 -0.04 0.74 -0.34 0.00 0.00 178.44 179.48 1rre h THR 643 N 1.14 1.25 -0.63 1.05 2.02 -1.13 -0.76 112.91 115.86 1rre h THR 643 Ca 0.27 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1rre h THR 643 Cb 0.12 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1rre h THR 643 CO -0.03 0.37 0.40 0.58 0.37 0.00 0.00 175.52 177.20 1rre h VAL 644 N 0.74 1.10 -0.04 3.16 2.07 -0.94 0.20 116.25 122.54 1rre h VAL 644 Ca 0.14 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1rre h VAL 644 Cb 0.50 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1rre h VAL 644 CO 0.03 0.14 0.02 0.58 0.02 0.00 0.00 177.57 178.36 1rre h VAL 645 N 0.79 1.14 -0.29 2.57 2.07 -0.97 -2.91 116.25 118.65 1rre h VAL 645 Ca 0.25 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1rre h VAL 645 Cb -0.02 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1rre h VAL 645 CO -0.09 0.11 -0.14 0.03 0.02 0.00 0.00 177.57 177.51 1rre h ARG 646 N -0.10 0.49 0.00 1.57 3.08 -0.83 -0.96 114.38 117.64 1rre h ARG 646 Ca 0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1rre h ARG 646 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rre h ARG 646 CO -0.00 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 1rre n ALA 647 N -2.48 1.65 -0.73 0.04 0.00 0.69 -2.58 120.51 117.08 1rre n ALA 647 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1rre n ALA 647 Cb 0.33 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.54 1rre n ALA 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rre n ARG 648 N -2.27 2.33 -0.27 0.00 1.74 -0.45 -4.77 116.66 112.96 1rre n ARG 648 Ca 0.02 -2.40 0.06 0.00 -0.77 0.00 0.00 57.85 54.76 1rre n ARG 648 Cb 0.23 -1.49 0.20 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.86 1.15 0.06 7.54 0.00 -1.05 -1.37 119.26 126.45 1rre h ALA 649 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rre h ALA 649 Cb 1.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rre h ALA 649 CO 0.07 -0.17 -0.03 1.49 0.00 0.00 0.00 179.25 180.61 1rre h GLU 650 N 0.51 -0.07 -0.36 0.00 4.22 -1.86 -0.18 114.58 116.84 1rre h GLU 650 Ca 0.44 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.84 1rre h GLU 650 Cb 0.65 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1rre h GLU 650 CO -0.39 0.03 0.07 1.57 -2.18 0.00 0.00 179.01 178.11 1rre h LYS 651 N -0.16 0.53 -0.01 1.92 2.10 -1.74 -2.76 116.57 116.45 1rre h LYS 651 Ca -0.01 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1rre h LYS 651 Cb 0.14 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1rre h LYS 651 CO 0.01 0.51 -0.24 1.28 -2.00 0.00 0.00 179.45 179.01 1rre n LEU 652 N -4.33 1.05 -1.69 7.07 4.77 -0.59 -1.48 117.00 121.80 1rre n LEU 652 Ca 0.02 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 1rre n LEU 652 Cb 0.20 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1rre n LEU 652 CO 0.38 0.19 -0.01 0.61 -1.33 0.00 0.00 177.39 177.24 1rre n GLY 653 N 1.33 0.03 3.46 -0.72 0.00 -0.22 -4.92 105.19 104.15 1rre n GLY 653 Ca 0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.86 4.78 0.04 -0.61 1.01 -0.36 -5.03 121.20 118.17 1rre s ILE 654 Ca 0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1rre s ILE 654 Cb -0.07 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1rre s ILE 654 CO 0.19 0.05 1.06 0.21 0.00 0.00 0.00 174.94 176.45 1rre s ASN 655 N 1.64 7.28 0.36 3.58 3.84 -1.26 -4.45 114.94 125.92 1rre s ASN 655 Ca 0.05 1.82 0.10 0.00 0.21 0.00 0.00 52.86 55.04 1rre s ASN 655 Cb -0.17 -2.58 0.85 0.00 -0.55 0.00 0.00 41.25 38.80 1rre s ASN 655 CO 0.07 -0.31 1.85 -0.65 -2.79 0.00 0.00 177.10 175.27 1rre h PRO 656 N 6.58 0.63 -0.04 0.43 0.11 -1.98 -0.98 132.00 136.75 1rre h PRO 656 Ca -0.42 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1rre h PRO 656 Cb 1.22 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1rre h PRO 656 CO 0.77 0.42 -0.41 -0.44 -0.21 0.00 0.00 178.00 178.13 1rre h ASP 657 N 0.65 -1.25 -0.80 -2.05 3.32 -2.00 -1.77 116.42 112.53 1rre h ASP 657 Ca 0.47 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.71 1rre h ASP 657 Cb 0.84 0.50 -0.05 0.00 0.22 0.00 0.00 39.33 40.84 1rre h ASP 657 CO -0.23 -0.44 0.51 0.15 -1.72 0.00 0.00 179.24 177.51 1rre h PHE 658 N -0.54 0.96 -0.56 4.55 3.57 -1.83 -3.14 116.94 119.96 1rre h PHE 658 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1rre h PHE 658 Cb 0.63 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1rre h PHE 658 CO -0.43 0.55 0.13 -0.92 -2.23 0.00 0.00 178.31 175.41 1rre h TYR 659 N 1.00 0.89 0.00 0.41 5.03 -0.57 -2.12 116.97 121.60 1rre h TYR 659 Ca 0.32 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1rre h TYR 659 Cb -0.00 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1rre h TYR 659 CO -0.03 0.75 0.00 0.39 -1.32 0.00 0.00 178.16 177.95 1rre n GLU 660 N -4.27 0.05 -0.68 1.82 -0.58 -0.72 -2.32 120.64 113.95 1rre n GLU 660 Ca 0.04 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 1rre n GLU 660 Cb 0.23 -1.50 0.35 0.00 -0.57 0.00 0.00 31.44 29.95 1rre n GLU 660 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1rre n LYS 661 N -1.47 4.03 -5.11 3.49 5.02 -0.81 -2.59 118.16 120.72 1rre n LYS 661 Ca 0.07 -2.96 -0.28 0.00 -2.02 0.00 0.00 58.31 53.12 1rre n LYS 661 Cb 0.28 -2.01 -0.16 0.00 -0.02 0.00 0.00 35.03 33.13 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 -2.37 1.87 -0.01 1.97 1.81 -0.98 -1.18 118.95 120.07 1rre s ARG 662 Ca 0.50 -0.80 -0.03 0.00 -1.72 0.00 0.00 55.73 53.68 1rre s ARG 662 Cb 0.36 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 1rre s ARG 662 CO 0.18 0.46 0.19 -0.51 -0.68 0.00 0.00 175.30 174.94 1rre s ASP 663 N -0.46 6.38 -0.08 0.23 1.01 -0.32 -1.13 116.67 122.30 1rre s ASP 663 Ca 0.07 0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.73 1rre s ASP 663 Cb -0.09 -2.01 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 1rre s ASP 663 CO -0.00 0.26 -0.22 -0.63 0.21 0.00 0.00 175.17 174.78 1rre s ILE 664 N -1.33 1.87 -0.17 0.77 1.01 0.19 -1.79 121.20 121.75 1rre s ILE 664 Ca 0.28 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1rre s ILE 664 Cb -0.13 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.77 1rre s ILE 664 CO 0.19 0.52 -0.09 -2.28 0.00 0.00 0.00 174.94 173.28 1rre s HIS 665 N 0.21 2.09 -0.20 3.97 2.46 -0.56 -0.10 115.29 123.16 1rre s HIS 665 Ca -0.12 -1.31 -0.07 0.00 0.47 0.00 0.00 55.06 54.02 1rre s HIS 665 Cb -0.16 -1.50 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 1rre s HIS 665 CO 0.06 -0.68 0.07 0.14 -2.47 0.00 0.00 174.74 171.86 1rre s VAL 666 N 1.51 4.72 -0.01 0.89 -7.23 -0.46 -1.03 120.40 118.78 1rre s VAL 666 Ca 0.01 -0.05 0.04 0.00 -1.81 0.00 0.00 61.98 60.17 1rre s VAL 666 Cb -0.15 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 1rre s VAL 666 CO -0.08 0.43 -0.13 -2.28 -0.31 0.00 0.00 175.10 172.72 1rre s HIS 667 N 0.62 1.23 -0.47 2.82 2.46 -0.22 -1.12 115.29 120.62 1rre s HIS 667 Ca 0.03 -0.25 0.03 0.00 0.47 0.00 0.00 55.06 55.34 1rre s HIS 667 Cb -0.13 -0.80 0.13 0.00 -0.13 0.00 0.00 32.58 31.65 1rre s HIS 667 CO 0.01 -0.04 0.24 0.08 -2.47 0.00 0.00 174.74 172.57 1rre s VAL 668 N -0.25 1.88 0.89 0.89 1.01 -0.56 -0.78 120.40 123.47 1rre s VAL 668 Ca 0.04 -2.84 -0.11 0.00 0.00 0.00 0.00 61.98 59.07 1rre s VAL 668 Cb -0.06 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.13 1rre s VAL 668 CO -0.00 -0.85 1.10 -2.16 0.00 0.00 0.00 175.10 173.19 1rre s PRO 669 N 0.12 1.28 0.20 2.72 0.04 -1.24 -4.35 135.00 133.76 1rre s PRO 669 Ca 0.17 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1rre s PRO 669 Cb -0.25 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1rre s PRO 669 CO -0.00 -2.31 1.29 -1.21 0.04 0.00 0.00 177.00 174.81 1rre s GLU 670 N -4.81 4.40 0.40 4.56 8.01 -1.26 -4.31 118.70 125.70 1rre s GLU 670 Ca 0.64 2.03 0.14 0.00 0.01 0.00 0.00 54.97 57.79 1rre s GLU 670 Cb -0.20 -3.20 0.99 0.00 -4.31 0.00 0.00 34.13 27.41 1rre s GLU 670 CO 0.58 -0.23 1.86 0.78 0.01 0.00 0.00 175.26 178.26 1rre h GLY 671 N 5.35 1.00 1.23 -1.39 0.00 -1.90 -2.09 103.07 105.27 1rre h GLY 671 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1rre h GLY 671 CO 0.77 0.02 -0.36 0.00 0.00 0.00 0.00 176.54 176.97 1rre n ALA 672 N -2.48 3.22 -2.63 3.60 0.00 -1.26 -3.63 120.51 117.32 1rre n ALA 672 Ca 0.19 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1rre n ALA 672 Cb 0.61 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.97 4.68 0.22 0.00 2.01 -0.79 -4.97 115.64 113.81 1rre s THR 673 Ca 0.13 1.52 -0.31 0.00 0.31 0.00 0.00 61.69 63.34 1rre s THR 673 Cb 0.18 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 1rre s THR 673 CO 0.65 -0.32 1.49 -2.84 -0.69 0.00 0.00 174.62 172.92 1rre s PRO 674 N 3.24 4.24 0.06 4.92 0.02 -1.26 -4.61 135.00 141.61 1rre s PRO 674 Ca 0.39 2.33 0.06 0.00 0.02 0.00 0.00 61.00 63.80 1rre s PRO 674 Cb -0.14 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1rre s PRO 674 CO 0.12 -0.50 -0.16 0.15 -0.33 0.00 0.00 177.00 176.28 1rre s LYS 675 N 0.21 1.03 0.29 5.54 1.02 -0.44 -2.64 119.74 124.75 1rre s LYS 675 Ca 0.64 -0.90 -0.20 0.00 0.02 0.00 0.00 55.97 55.52 1rre s LYS 675 Cb -0.43 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1rre s LYS 675 CO 0.39 0.27 0.75 0.34 -0.92 0.00 0.00 175.35 176.18 1rre s ASP 676 N -1.40 -0.21 0.00 2.83 -1.08 -0.63 -1.13 116.67 115.06 1rre s ASP 676 Ca 0.03 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1rre s ASP 676 Cb -0.09 0.73 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 1rre s ASP 676 CO 0.02 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 174.95 1rre n GLY 677 N -0.48 0.79 0.13 2.66 0.00 -1.26 -3.44 105.19 103.60 1rre n GLY 677 Ca -0.05 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 1.00 0.51 0.00 1.61 -0.04 -1.26 -4.58 135.00 132.23 1rre n PRO 678 Ca 0.00 -0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.31 1rre n PRO 678 Cb 0.00 -1.49 0.55 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.02 2.13 0.94 0.55 0.00 -1.26 -1.81 120.51 120.05 1rre n ALA 679 Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1rre n ALA 679 Cb 0.33 -1.37 0.30 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.32 0.00 0.00 -1.26 -0.86 120.51 119.22 1rre n ALA 680 Ca 0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.80 1rre n ALA 680 Cb 0.20 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 4.79 -0.26 2.00 0.00 0.00 -1.08 -1.85 103.07 106.67 1rre h GLY 681 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 47.33 47.82 1rre h GLY 681 CO 0.00 -0.15 -0.41 0.16 0.00 0.00 0.00 176.54 176.14 1rre h ILE 682 N -0.08 1.06 0.00 2.60 3.07 -1.57 -2.45 117.51 120.14 1rre h ILE 682 Ca 0.25 -1.53 0.00 0.00 1.55 0.00 0.00 64.86 65.13 1rre h ILE 682 Cb 0.55 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1rre h ILE 682 CO -0.86 0.40 0.00 0.00 -1.05 0.00 0.00 178.15 176.64 1rre n ALA 683 N -2.36 1.67 0.00 0.16 0.00 -0.70 -1.47 120.51 117.81 1rre n ALA 683 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rre n ALA 683 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.11 -0.81 0.00 2.02 -1.54 -1.09 112.91 112.59 1rre h THR 686 Ca 0.00 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.96 1rre h THR 686 Cb 0.00 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1rre h THR 686 CO 0.00 0.11 0.50 0.00 0.37 0.00 0.00 175.52 176.49 1rre h ALA 687 N 1.03 1.11 -0.17 6.16 0.00 -1.16 -0.96 119.26 125.27 1rre h ALA 687 Ca 0.09 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1rre h ALA 687 Cb 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rre h ALA 687 CO -0.02 0.23 -0.74 -0.07 0.00 0.00 0.00 179.25 178.66 1rre h LEU 688 N 0.91 0.90 -0.27 0.00 3.38 -1.72 0.77 115.31 119.29 1rre h LEU 688 Ca 0.35 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1rre h LEU 688 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1rre h LEU 688 CO -0.17 1.37 0.13 0.58 0.09 0.00 0.00 178.44 180.44 1rre h VAL 689 N 0.53 1.15 -0.62 1.22 2.07 -0.94 -1.35 116.25 118.31 1rre h VAL 689 Ca -0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1rre h VAL 689 Cb 1.36 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1rre h VAL 689 CO 0.15 0.15 0.40 -1.28 0.02 0.00 0.00 177.57 177.01 1rre h SER 690 N 0.30 0.66 -0.67 0.57 0.87 -1.01 -1.83 113.55 112.45 1rre h SER 690 Ca 0.09 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1rre h SER 690 Cb 0.12 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1rre h SER 690 CO -0.01 0.47 0.29 0.00 -0.53 0.00 0.00 176.83 177.05 1rre h LEU 692 N 0.94 0.00 -0.29 0.00 3.38 -0.98 -3.31 115.31 115.04 1rre h LEU 692 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1rre h LEU 692 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1rre h LEU 692 CO -0.02 0.09 -0.22 0.35 0.09 0.00 0.00 178.44 178.72 1rre n THR 693 N -3.14 0.00 -1.74 0.22 -2.24 -0.71 -5.00 114.28 101.67 1rre n THR 693 Ca 0.03 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1rre n THR 693 Cb 0.50 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.97 0.69 3.46 3.38 0.00 -0.02 -4.97 105.19 108.69 1rre n GLY 694 Ca 0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.69 6.22 0.31 1.61 3.84 -1.10 -4.98 114.94 118.15 1rre s ASN 695 Ca 0.00 -0.82 -0.30 0.00 0.21 0.00 0.00 52.86 51.96 1rre s ASN 695 Cb 0.00 -2.26 -0.12 0.00 -0.55 0.00 0.00 41.25 38.33 1rre s ASN 695 CO 0.00 -0.74 1.57 -2.65 -2.79 0.00 0.00 177.10 172.50 1rre n PRO 696 N 5.86 2.69 -2.10 0.43 -0.02 -1.26 -4.53 135.00 136.06 1rre n PRO 696 Ca -0.07 0.95 -0.40 0.00 -2.02 0.00 0.00 63.50 61.97 1rre n PRO 696 Cb 0.46 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 1rre n PRO 696 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rre s VAL 697 N -0.21 2.72 0.26 -1.45 1.01 -0.64 -1.18 120.40 120.90 1rre s VAL 697 Ca 0.62 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 1rre s VAL 697 Cb -0.49 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1rre s VAL 697 CO 0.51 0.12 1.13 -0.13 0.00 0.00 0.00 175.10 176.73 1rre s ARG 698 N -2.07 4.59 0.50 2.72 0.52 0.94 -3.18 118.95 122.97 1rre s ARG 698 Ca 0.54 1.83 -0.23 0.00 -0.52 0.00 0.00 55.73 57.36 1rre s ARG 698 Cb -0.38 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 31.83 1rre s ARG 698 CO 0.49 0.12 1.28 0.00 0.02 0.00 0.00 175.30 177.21 1rre s ALA 699 N -0.86 2.93 -0.44 2.13 0.00 -1.26 -3.90 121.76 120.35 1rre s ALA 699 Ca 0.47 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1rre s ALA 699 Cb -0.32 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1rre s ALA 699 CO 0.40 -1.04 0.00 -0.25 0.00 0.00 0.00 175.76 174.87 1rre n ASP 700 N -0.69 -3.45 -4.59 0.00 10.43 -1.26 -4.97 116.55 112.03 1rre n ASP 700 Ca 0.08 0.10 -0.34 0.00 2.57 0.00 0.00 54.79 57.20 1rre n ASP 700 Cb 0.46 -1.38 -0.11 0.00 1.84 0.00 0.00 41.12 41.93 1rre n ASP 700 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1rre s VAL 701 N -2.16 3.83 0.00 2.53 1.01 -1.25 -1.68 120.40 122.69 1rre s VAL 701 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1rre s VAL 701 Cb 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1rre s VAL 701 CO 0.00 0.59 0.00 0.00 0.00 0.00 0.00 175.10 175.69 1rre n ALA 702 N 2.35 0.00 -3.64 5.51 0.00 -0.12 -4.31 120.51 120.31 1rre n ALA 702 Ca -0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1rre n ALA 702 Cb 0.53 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 1rre n ALA 702 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rre s THR 704 N -1.26 0.00 0.00 0.00 -1.32 -0.72 -0.98 115.64 111.35 1rre s THR 704 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1rre s THR 704 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1rre s THR 704 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1rre n GLY 705 N 0.90 4.42 3.75 6.08 0.00 -0.04 -3.64 105.19 116.66 1rre n GLY 705 Ca -0.04 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.32 4.32 0.07 1.61 2.12 -0.90 -1.65 118.70 120.95 1rre s GLU 706 Ca 0.00 0.65 -0.04 0.00 0.36 0.00 0.00 54.97 55.94 1rre s GLU 706 Cb 0.00 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1rre s GLU 706 CO 0.00 0.28 0.29 -1.50 -0.54 0.00 0.00 175.26 173.80 1rre s ILE 707 N 0.13 5.27 0.24 -3.70 1.10 -1.26 -0.18 121.20 122.80 1rre s ILE 707 Ca 0.30 -0.00 0.10 0.00 -0.51 0.00 0.00 60.65 60.54 1rre s ILE 707 Cb -0.17 -3.60 -0.05 0.00 0.15 0.00 0.00 42.46 38.79 1rre s ILE 707 CO 0.15 0.20 -0.19 0.28 -2.11 0.00 0.00 174.94 173.27 1rre s THR 708 N -1.47 2.20 0.51 4.00 -1.32 -0.94 -4.93 115.64 113.69 1rre s THR 708 Ca 0.34 -2.26 0.18 0.00 -1.21 0.00 0.00 61.69 58.75 1rre s THR 708 Cb -0.13 -2.16 0.32 0.00 -1.51 0.00 0.00 72.50 69.02 1rre s THR 708 CO 0.22 -0.40 2.07 -0.07 -2.21 0.00 0.00 174.62 174.23 1rre h LEU 709 N 2.57 0.08 -0.03 9.08 4.07 -1.90 -1.91 115.31 127.27 1rre h LEU 709 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1rre h LEU 709 Cb 1.24 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1rre h LEU 709 CO 0.58 0.05 0.00 -2.11 -1.08 0.00 0.00 178.44 175.88 1rre n ARG 710 N -4.47 0.03 0.00 1.13 1.85 -1.26 -4.82 116.66 109.12 1rre n ARG 710 Ca 0.03 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1rre n ARG 710 Cb 0.29 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1rre n ARG 710 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rre n GLY 711 N 0.87 0.36 3.76 2.89 0.00 -0.72 -5.01 105.19 107.35 1rre n GLY 711 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.88 4.53 -0.34 1.61 2.00 -1.26 -0.64 119.66 124.68 1rre s GLN 712 Ca 0.00 1.87 -0.12 0.00 -2.00 0.00 0.00 55.36 55.11 1rre s GLN 712 Cb 0.00 -3.11 -0.01 0.00 0.80 0.00 0.00 33.01 30.69 1rre s GLN 712 CO 0.00 0.09 0.22 0.08 -0.50 0.00 0.00 175.29 175.18 1rre s VAL 713 N -1.19 5.11 0.16 1.34 1.01 -0.80 -2.22 120.40 123.81 1rre s VAL 713 Ca 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1rre s VAL 713 Cb -0.33 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1rre s VAL 713 CO 0.43 -0.02 0.36 -0.76 0.00 0.00 0.00 175.10 175.11 1rre s LEU 714 N 1.69 4.26 0.68 3.92 1.43 0.75 -4.67 118.68 126.74 1rre s LEU 714 Ca 0.06 0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 1rre s LEU 714 Cb -0.18 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1rre s LEU 714 CO 0.09 0.02 1.12 -2.16 0.23 0.00 0.00 176.35 175.65 1rre s PRO 715 N -2.93 2.68 0.45 1.29 0.04 -1.26 -2.11 135.00 133.16 1rre s PRO 715 Ca 0.39 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1rre s PRO 715 Cb -0.12 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1rre s PRO 715 CO 0.27 -1.35 0.23 0.96 0.04 0.00 0.00 177.00 177.15 1rre s ILE 716 N -2.37 2.06 0.39 0.56 -5.25 -1.26 -4.70 121.20 110.63 1rre s ILE 716 Ca 0.67 -1.65 0.01 0.00 -0.99 0.00 0.00 60.65 58.69 1rre s ILE 716 Cb -0.21 -2.72 -0.02 0.00 2.95 0.00 0.00 42.46 42.47 1rre s ILE 716 CO 0.43 0.00 0.59 -0.83 -1.79 0.00 0.00 174.94 173.34 1rre s GLY 717 N -4.00 1.46 -1.28 6.27 0.00 -1.26 -4.72 107.32 103.78 1rre s GLY 717 Ca 0.36 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1rre s GLY 717 CO 0.21 -0.92 1.11 0.61 0.00 0.00 0.00 173.10 174.11 1rre n GLY 718 N -1.89 -0.47 0.31 0.20 0.00 -1.26 -4.89 105.19 97.19 1rre n GLY 718 Ca -0.02 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.47 0.56 0.25 0.99 6.46 -1.97 -2.20 115.31 116.93 1rre h LEU 719 Ca -0.56 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1rre h LEU 719 Cb 1.35 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 1rre h LEU 719 CO 0.53 0.44 -0.42 0.11 -0.62 0.00 0.00 178.44 178.49 1rre h LYS 720 N 0.64 -0.68 0.00 1.25 6.56 -1.91 -0.08 116.57 122.34 1rre h LYS 720 Ca 0.17 0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 1rre h LYS 720 Cb 0.00 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1rre h LYS 720 CO -0.03 -0.46 -0.11 0.93 -2.06 0.00 0.00 179.45 177.72 1rre h GLU 721 N -0.71 0.00 -0.01 3.15 4.39 -1.90 -1.14 114.58 118.37 1rre h GLU 721 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1rre h GLU 721 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1rre h GLU 721 CO -0.14 0.11 -0.01 0.87 -1.16 0.00 0.00 179.01 178.68 1rre h LYS 722 N 0.00 0.02 -0.26 2.33 1.57 -0.81 -2.07 116.57 117.35 1rre h LYS 722 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1rre h LYS 722 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1rre h LYS 722 CO 0.01 0.54 0.03 -0.07 -0.57 0.00 0.00 179.45 179.39 1rre h LEU 723 N -0.49 0.34 -0.51 2.94 3.38 -0.78 -1.46 115.31 118.74 1rre h LEU 723 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rre h LEU 723 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rre h LEU 723 CO 0.00 0.38 0.32 0.25 0.09 0.00 0.00 178.44 179.48 1rre h LEU 724 N 0.37 0.60 -0.98 1.67 5.85 -1.15 -0.85 115.31 120.82 1rre h LEU 724 Ca 0.09 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1rre h LEU 724 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1rre h LEU 724 CO 0.00 0.46 -0.24 0.00 -0.34 0.00 0.00 178.44 178.32 1rre h ALA 725 N 1.16 1.14 -0.21 1.25 0.00 -0.61 -0.37 119.26 121.62 1rre h ALA 725 Ca 0.18 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1rre h ALA 725 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rre h ALA 725 CO -0.04 0.54 -0.35 0.00 0.00 0.00 0.00 179.25 179.40 1rre h ALA 726 N 1.34 0.33 -0.32 0.00 0.00 -1.05 -1.96 119.26 117.60 1rre h ALA 726 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1rre h ALA 726 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1rre h ALA 726 CO 0.05 0.39 0.19 1.25 0.00 0.00 0.00 179.25 181.13 1rre h HIS 727 N 0.30 0.35 -0.93 0.00 6.17 -1.02 -0.88 115.15 119.14 1rre h HIS 727 Ca 0.02 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.16 1rre h HIS 727 Cb 0.94 -0.11 -0.06 0.00 2.52 0.00 0.00 27.41 30.70 1rre h HIS 727 CO 0.09 0.21 0.61 0.00 0.71 0.00 0.00 177.93 179.54 1rre h ARG 728 N 0.38 1.06 -0.04 5.26 3.08 -1.02 -1.64 114.38 121.47 1rre h ARG 728 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1rre h ARG 728 Cb -0.00 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1rre h ARG 728 CO -0.06 0.70 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 1rre n GLY 729 N -1.39 -0.69 2.37 0.04 0.00 -0.74 -4.90 105.19 99.88 1rre n GLY 729 Ca 0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.89 0.72 3.76 -0.02 0.00 -0.62 -4.99 105.19 104.94 1rre n GLY 730 Ca 0.15 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.65 2.70 -0.14 -0.61 -1.09 -0.39 -4.96 121.20 114.06 1rre s ILE 731 Ca 0.00 0.67 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 1rre s ILE 731 Cb 0.00 -3.43 -0.23 0.00 -1.58 0.00 0.00 42.46 37.22 1rre s ILE 731 CO 0.00 0.14 0.29 2.29 -1.23 0.00 0.00 174.94 176.43 1rre n LYS 732 N 1.25 0.69 -4.49 2.79 2.85 -0.82 -4.70 118.16 115.73 1rre n LYS 732 Ca 0.02 0.21 -0.24 0.00 -1.05 0.00 0.00 58.31 57.24 1rre n LYS 732 Cb 0.41 -1.67 -0.17 0.00 -0.65 0.00 0.00 35.03 32.96 1rre n LYS 732 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rre s THR 733 N -2.55 1.07 -0.08 0.58 2.01 -0.67 -0.16 115.64 115.84 1rre s THR 733 Ca -0.18 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1rre s THR 733 Cb 0.07 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1rre s THR 733 CO 0.76 0.34 -0.21 0.68 -0.69 0.00 0.00 174.62 175.51 1rre s VAL 734 N 0.77 1.80 -0.14 3.82 -7.23 -0.29 -0.94 120.40 118.19 1rre s VAL 734 Ca -0.13 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 1rre s VAL 734 Cb -0.15 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1rre s VAL 734 CO 0.02 0.50 0.45 -0.76 -0.31 0.00 0.00 175.10 175.01 1rre s LEU 735 N 0.28 4.25 0.14 1.32 1.43 -0.15 -1.59 118.68 124.36 1rre s LEU 735 Ca -0.14 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1rre s LEU 735 Cb -0.16 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1rre s LEU 735 CO 0.06 -0.01 -0.10 0.27 0.23 0.00 0.00 176.35 176.80 1rre s ILE 736 N 0.75 1.17 0.30 -0.59 -4.36 -0.93 -1.76 121.20 115.78 1rre s ILE 736 Ca 0.24 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.31 1rre s ILE 736 Cb -0.15 -1.81 -0.11 0.00 1.25 0.00 0.00 42.46 41.65 1rre s ILE 736 CO 0.09 -0.72 1.45 -2.84 0.24 0.00 0.00 174.94 173.16 1rre s PRO 737 N -3.65 4.22 0.39 0.37 0.02 -1.24 -0.27 135.00 134.85 1rre s PRO 737 Ca 0.16 2.39 0.20 0.00 0.02 0.00 0.00 61.00 63.77 1rre s PRO 737 Cb 0.02 -3.05 1.16 0.00 0.02 0.00 0.00 34.50 32.65 1rre s PRO 737 CO 0.01 -0.43 1.70 0.35 -0.33 0.00 0.00 177.00 178.29 1rre h PHE 738 N 4.21 0.73 -0.00 6.54 3.57 -0.50 -0.99 116.94 130.49 1rre h PHE 738 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1rre h PHE 738 Cb 1.22 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1rre h PHE 738 CO 0.57 -0.07 -0.07 0.39 -2.23 0.00 0.00 178.31 176.90 1rre n GLU 739 N -4.78 0.31 -0.02 1.11 4.71 -1.26 -2.18 120.64 118.52 1rre n GLU 739 Ca 0.30 -0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.53 1rre n GLU 739 Cb 1.04 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 30.43 1rre n GLU 739 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1rre n ASN 740 N -1.30 1.67 -0.32 1.62 4.13 -0.38 -4.39 115.26 116.29 1rre n ASN 740 Ca 0.11 -1.59 0.12 0.00 1.68 0.00 0.00 54.58 54.91 1rre n ASN 740 Cb 0.29 -0.03 0.34 0.00 -1.54 0.00 0.00 39.78 38.84 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 2.51 0.73 -0.90 3.52 1.57 -1.51 0.17 116.57 122.66 1rre h LYS 741 Ca 0.00 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 1rre h LYS 741 Cb 0.54 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 32.57 1rre h LYS 741 CO 0.00 0.48 0.45 -0.09 -0.57 0.00 0.00 179.45 179.72 1rre h ARG 742 N 0.75 0.53 0.00 3.15 9.65 -1.82 -2.54 114.38 124.10 1rre h ARG 742 Ca 0.52 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1rre h ARG 742 Cb 0.82 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1rre h ARG 742 CO -0.29 0.35 0.00 -0.25 2.80 0.00 0.00 179.97 182.58 1rre n ASP 743 N -4.93 0.21 0.21 -3.80 10.43 0.05 -3.37 116.55 115.35 1rre n ASP 743 Ca 0.21 0.54 0.05 0.00 2.57 0.00 0.00 54.79 58.15 1rre n ASP 743 Cb 0.57 -0.59 0.47 0.00 1.84 0.00 0.00 41.12 43.41 1rre n ASP 743 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1rre h LEU 744 N 0.00 0.00 -0.62 0.64 3.38 -1.51 -3.25 115.31 113.95 1rre h LEU 744 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1rre h LEU 744 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1rre h LEU 744 CO 0.00 0.23 0.23 1.05 0.09 0.00 0.00 178.44 180.05 1rre h GLU 745 N 0.00 0.40 -0.89 1.13 4.11 -1.75 -2.30 114.58 115.28 1rre h GLU 745 Ca -0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 1rre h GLU 745 Cb 0.42 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1rre h GLU 745 CO 0.03 0.26 0.08 0.39 0.07 0.00 0.00 179.01 179.85 1rre n GLU 746 N -5.00 2.24 -4.23 1.06 -0.58 -1.23 -4.83 120.64 108.07 1rre n GLU 746 Ca 0.09 -1.25 -0.35 0.00 -0.42 0.00 0.00 57.16 55.23 1rre n GLU 746 Cb 0.28 -1.70 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 1rre n GLU 746 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rre s ILE 747 N -1.59 4.50 0.29 -3.67 1.01 -0.87 -5.06 121.20 115.82 1rre s ILE 747 Ca 0.22 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1rre s ILE 747 Cb 0.18 -2.95 -0.12 0.00 0.01 0.00 0.00 42.46 39.58 1rre s ILE 747 CO 0.06 0.55 1.62 -2.84 0.00 0.00 0.00 174.94 174.33 1rre s PRO 748 N -0.37 4.11 0.17 2.79 0.02 -1.26 -4.83 135.00 135.63 1rre s PRO 748 Ca 0.08 2.61 0.18 0.00 0.02 0.00 0.00 61.00 63.89 1rre s PRO 748 Cb -0.12 -3.02 0.80 0.00 0.02 0.00 0.00 34.50 32.18 1rre s PRO 748 CO 0.02 -0.67 1.54 -0.25 -0.33 0.00 0.00 177.00 177.32 1rre n ASP 749 N 2.32 0.39 -0.07 2.53 9.92 -1.26 -1.95 116.55 128.44 1rre n ASP 749 Ca 0.09 0.62 -0.14 0.00 -0.53 0.00 0.00 54.79 54.83 1rre n ASP 749 Cb 0.37 -0.69 -0.06 0.00 -0.64 0.00 0.00 41.12 40.10 1rre n ASP 749 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1rre h ASN 750 N 0.00 0.73 -0.13 -2.24 7.08 -2.00 -2.46 115.58 116.56 1rre h ASN 750 Ca 0.00 -0.54 -0.03 0.00 -3.08 0.00 0.00 56.30 52.65 1rre h ASN 750 Cb 0.22 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1rre h ASN 750 CO 0.00 1.13 -0.04 -0.37 -2.08 0.00 0.00 177.43 176.07 1rre h VAL 751 N 0.36 1.29 -0.92 6.14 -1.51 -1.76 -3.03 116.25 116.82 1rre h VAL 751 Ca 0.01 -0.99 0.21 0.00 -1.23 0.00 0.00 66.70 64.70 1rre h VAL 751 Cb 0.99 1.69 -0.07 0.00 -2.13 0.00 0.00 31.29 31.77 1rre h VAL 751 CO 0.09 0.29 0.60 0.40 -1.23 0.00 0.00 177.57 177.72 1rre h ILE 752 N -0.06 0.67 -0.13 7.19 1.08 -1.57 -2.28 117.51 122.42 1rre h ILE 752 Ca 0.03 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1rre h ILE 752 Cb 0.46 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1rre h ILE 752 CO 0.01 0.08 -0.38 0.00 -0.69 0.00 0.00 178.15 177.17 1rre h ALA 753 N 1.61 1.12 -0.01 1.87 0.00 -1.31 -2.86 119.26 119.67 1rre h ALA 753 Ca 0.48 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rre h ALA 753 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rre h ALA 753 CO -0.19 0.58 -0.18 -0.25 0.00 0.00 0.00 179.25 179.20 1rre n ASP 754 N -4.05 1.38 -4.29 0.00 8.00 -0.87 -4.84 116.55 111.88 1rre n ASP 754 Ca -0.01 -1.21 -0.33 0.00 0.71 0.00 0.00 54.79 53.95 1rre n ASP 754 Cb 0.46 0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.52 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 -2.31 2.45 -0.54 0.64 1.43 -1.08 -4.66 118.68 114.61 1rre s LEU 755 Ca 0.28 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 1rre s LEU 755 Cb 0.20 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.93 1rre s LEU 755 CO 0.45 0.14 0.85 -0.62 0.23 0.00 0.00 176.35 177.41 1rre s ASP 756 N 0.46 6.30 -0.21 2.29 2.15 0.78 -4.88 116.67 123.55 1rre s ASP 756 Ca -0.12 -0.55 -0.10 0.00 0.43 0.00 0.00 52.55 52.21 1rre s ASP 756 Cb -0.16 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1rre s ASP 756 CO 0.05 -1.14 0.14 -0.63 -0.17 0.00 0.00 175.17 173.42 1rre s ILE 757 N 3.56 5.37 -0.32 4.11 1.01 -1.26 -1.14 121.20 132.53 1rre s ILE 757 Ca 0.25 0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1rre s ILE 757 Cb -0.15 -3.47 0.10 0.00 0.01 0.00 0.00 42.46 38.95 1rre s ILE 757 CO 0.17 0.41 0.05 -1.00 0.00 0.00 0.00 174.94 174.56 1rre s HIS 758 N 0.62 3.10 0.27 3.97 3.76 -0.62 -4.98 115.29 121.41 1rre s HIS 758 Ca 0.08 -2.56 -0.29 0.00 -0.15 0.00 0.00 55.06 52.13 1rre s HIS 758 Cb -0.12 -2.49 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 1rre s HIS 758 CO 0.00 -0.92 1.22 -2.14 -0.85 0.00 0.00 174.74 172.05 1rre s PRO 759 N 1.13 4.48 0.09 8.40 0.02 -1.26 -2.18 135.00 145.68 1rre s PRO 759 Ca 0.09 1.99 0.06 0.00 0.02 0.00 0.00 61.00 63.16 1rre s PRO 759 Cb -0.19 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1rre s PRO 759 CO -0.13 -0.04 -0.15 0.14 -0.33 0.00 0.00 177.00 176.49 1rre s VAL 760 N -0.76 1.26 -0.11 3.83 -7.23 0.63 -4.71 120.40 113.32 1rre s VAL 760 Ca 0.49 -1.42 0.09 0.00 -1.81 0.00 0.00 61.98 59.33 1rre s VAL 760 Cb -0.35 -1.24 -0.13 0.00 0.56 0.00 0.00 36.38 35.22 1rre s VAL 760 CO 0.44 -0.23 0.02 0.29 -0.31 0.00 0.00 175.10 175.31 1rre n LYS 761 N 1.11 2.00 -4.14 4.82 5.02 -1.26 0.22 118.16 125.93 1rre n LYS 761 Ca -0.20 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 1rre n LYS 761 Cb 0.54 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.26 0.76 0.46 1.97 0.52 -1.26 -1.90 118.95 117.24 1rre s ARG 762 Ca -0.07 -1.23 0.20 0.00 -0.52 0.00 0.00 55.73 54.11 1rre s ARG 762 Cb 0.03 -0.18 1.11 0.00 0.52 0.00 0.00 34.95 36.43 1rre s ARG 762 CO 0.43 -0.01 1.97 0.97 0.02 0.00 0.00 175.30 178.68 1rre h ILE 763 N 3.23 0.90 -0.56 1.52 6.09 -1.22 -1.85 117.51 125.62 1rre h ILE 763 Ca -0.35 -0.78 -0.07 0.00 -1.37 0.00 0.00 64.86 62.29 1rre h ILE 763 Cb 1.17 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 1rre h ILE 763 CO 0.61 0.20 0.08 -0.33 -3.07 0.00 0.00 178.15 175.64 1rre h GLU 764 N 0.00 0.90 -0.38 2.19 4.39 -1.96 -1.02 114.58 118.70 1rre h GLU 764 Ca -0.00 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 1rre h GLU 764 Cb 0.44 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1rre h GLU 764 CO 0.03 0.85 -0.28 0.93 -1.16 0.00 0.00 179.01 179.37 1rre h GLU 765 N 0.85 0.80 -0.12 2.33 5.08 -1.76 -2.09 114.58 119.66 1rre h GLU 765 Ca 0.17 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1rre h GLU 765 Cb 0.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1rre h GLU 765 CO 0.01 0.98 0.04 0.28 -1.00 0.00 0.00 179.01 179.32 1rre h VAL 766 N 0.68 1.17 -0.51 3.13 2.07 -0.98 -0.73 116.25 121.08 1rre h VAL 766 Ca 0.08 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1rre h VAL 766 Cb 0.81 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1rre h VAL 766 CO 0.07 0.15 0.31 -0.07 0.02 0.00 0.00 177.57 178.05 1rre h LEU 767 N 0.02 0.51 -1.01 2.57 3.38 -1.19 0.15 115.31 119.74 1rre h LEU 767 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1rre h LEU 767 Cb 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1rre h LEU 767 CO -0.00 0.36 0.43 0.74 0.09 0.00 0.00 178.44 180.06 1rre h THR 768 N 0.62 1.24 0.00 0.22 2.02 -1.22 -1.87 112.91 113.92 1rre h THR 768 Ca 0.20 -0.62 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 1rre h THR 768 Cb -0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1rre h THR 768 CO -0.08 0.27 -0.48 -0.07 0.37 0.00 0.00 175.52 175.53 1rre h LEU 769 N 1.13 0.00 0.00 2.58 3.38 -0.26 -3.36 115.31 118.78 1rre h LEU 769 Ca 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 1rre h LEU 769 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1rre h LEU 769 CO -0.04 0.48 -2.11 0.00 0.09 0.00 0.00 178.44 176.86 1rre n ALA 770 N -2.33 2.20 -2.77 1.53 0.00 0.43 -4.91 120.51 114.66 1rre n ALA 770 Ca -0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.30 1rre n ALA 770 Cb 0.57 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 -4.88 3.76 -0.01 0.00 1.43 -0.72 -0.04 118.68 118.22 1rre s LEU 771 Ca -0.08 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 1rre s LEU 771 Cb 0.10 -2.43 -0.19 0.00 0.03 0.00 0.00 46.19 43.70 1rre s LEU 771 CO 0.83 0.15 1.28 1.56 0.23 0.00 0.00 176.35 180.40 1rre h GLN 772 N 3.10 0.10 -6.34 1.70 4.20 -1.45 -3.43 115.11 112.99 1rre h GLN 772 Ca -0.47 -0.06 -0.54 0.00 0.06 0.00 0.00 58.65 57.64 1rre h GLN 772 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1rre h GLN 772 CO 0.64 0.57 -0.22 -0.80 -0.67 0.00 0.00 178.83 178.36 1rre s ASN 773 N -5.83 6.48 -0.12 1.46 -0.87 -1.26 -5.02 114.94 109.78 1rre s ASN 773 Ca -0.15 0.67 -0.29 0.00 -1.57 0.00 0.00 52.86 51.51 1rre s ASN 773 Cb 0.03 -2.12 -0.06 0.00 -0.02 0.00 0.00 41.25 39.07 1rre s ASN 773 CO 0.70 -0.08 1.97 -0.70 -2.57 0.00 0.00 177.10 176.42 1rre s GLU 774 N -3.12 3.69 0.22 -0.60 2.56 -1.26 -4.89 118.70 115.29 1rre s GLU 774 Ca 0.43 2.17 0.07 0.00 0.00 0.00 0.00 54.97 57.64 1rre s GLU 774 Cb -0.11 -4.21 0.16 0.00 2.00 0.00 0.00 34.13 31.97 1rre s GLU 774 CO 0.27 -1.46 1.49 -1.35 -0.56 0.00 0.00 175.26 173.65 1rre h PRO 775 N 12.25 0.08 -5.59 4.30 0.11 -1.92 -3.45 132.00 137.78 1rre h PRO 775 Ca -0.43 -0.07 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 1rre h PRO 775 Cb 1.22 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1rre h PRO 775 CO 0.96 0.78 -0.39 -1.12 -0.21 0.00 0.00 178.00 178.03 1rre s SER 776 N -6.85 6.44 1.65 -2.05 0.01 -1.26 -4.27 113.70 107.37 1rre s SER 776 Ca -0.02 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1rre s SER 776 Cb 0.12 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1rre s SER 776 CO 0.79 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.31 1rre n GLY 777 N 2.67 3.02 2.87 3.44 0.00 -0.55 -5.03 105.19 111.62 1rre n GLY 777 Ca -0.16 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1rre n GLY 777 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rre s GLN 779 N 0.00 1.17 -0.14 1.61 1.11 -1.26 -5.02 119.66 117.13 1rre s GLN 779 Ca 0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 55.36 55.19 1rre s GLN 779 Cb 0.00 -1.29 -0.03 0.00 -1.01 0.00 0.00 33.01 30.68 1rre s GLN 779 CO 0.00 -0.23 0.01 0.08 0.01 0.00 0.00 175.29 175.16 1rre s VAL 780 N 1.62 4.34 -0.19 1.09 1.01 -1.26 -5.11 120.40 121.90 1rre s VAL 780 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1rre s VAL 780 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1rre s VAL 780 CO -0.05 0.53 0.07 0.54 0.00 0.00 0.00 175.10 176.19 1rre s VAL 781 N -0.13 4.88 0.12 2.92 0.11 -1.26 -5.10 120.40 121.95 1rre s VAL 781 Ca 0.05 -0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1rre s VAL 781 Cb -0.13 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1rre s VAL 781 CO 0.02 0.46 -0.21 0.42 -3.33 0.00 0.00 175.10 172.45 1rre s THR 782 N 0.38 1.82 0.12 5.04 -4.23 -1.26 -5.15 115.64 112.36 1rre s THR 782 Ca 0.04 -1.65 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1rre s THR 782 Cb -0.12 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1rre s THR 782 CO -0.00 -0.09 -0.23 0.00 -0.54 0.00 0.00 174.62 173.76 1rre s ALA 783 N -1.32 2.03 -2.00 3.99 0.00 -1.26 -5.36 121.76 117.84 1rre s ALA 783 Ca 0.09 -1.35 0.27 0.00 0.00 0.00 0.00 51.96 50.98 1rre s ALA 783 Cb -0.09 -0.29 1.64 0.00 0.00 0.00 0.00 23.12 24.38 1rre s ALA 783 CO 0.05 0.41 1.98 1.63 0.00 0.00 0.00 175.76 179.84