#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkt s GLU 581 N 0.00 4.33 -0.15 1.96 2.12 -1.25 -4.84 118.70 120.87 2qkt s GLU 581 Ca 0.00 2.04 0.01 0.00 0.36 0.00 0.00 54.97 57.38 2qkt s GLU 581 Cb 0.00 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2qkt s GLU 581 CO 0.00 -0.42 -0.18 0.15 -0.54 0.00 0.00 175.26 174.27 2qkt s LYS 582 N 1.14 2.69 0.33 4.30 1.02 -1.26 -1.55 119.74 126.41 2qkt s LYS 582 Ca 0.64 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.94 2qkt s LYS 582 Cb -0.36 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2qkt s LYS 582 CO 0.30 -0.13 0.34 -0.59 -0.92 0.00 0.00 175.35 174.35 2qkt s PHE 583 N 1.14 1.49 0.17 3.18 -0.12 -0.53 -4.98 117.98 118.34 2qkt s PHE 583 Ca -0.01 -1.53 0.11 0.00 -0.05 0.00 0.00 56.93 55.45 2qkt s PHE 583 Cb -0.14 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 2qkt s PHE 583 CO -0.07 -0.96 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.13 2qkt s ASN 584 N -3.32 3.60 -0.12 1.98 0.02 -1.26 0.01 114.94 115.85 2qkt s ASN 584 Ca 0.37 -0.77 -0.01 0.00 -1.02 0.00 0.00 52.86 51.43 2qkt s ASN 584 Cb 0.02 -0.35 0.03 0.00 0.02 0.00 0.00 41.25 40.96 2qkt s ASN 584 CO 0.25 0.13 -0.03 -0.69 0.02 0.00 0.00 177.10 176.78 2qkt s VAL 585 N -1.53 0.76 -0.08 1.60 1.01 -0.30 -4.97 120.40 116.89 2qkt s VAL 585 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2qkt s VAL 585 Cb -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2qkt s VAL 585 CO 0.10 0.23 -0.10 -1.81 0.00 0.00 0.00 175.10 173.51 2qkt s ASP 586 N 1.80 1.89 0.15 3.32 1.01 -1.26 -0.49 116.67 123.10 2qkt s ASP 586 Ca 0.04 -0.30 -0.10 0.00 0.71 0.00 0.00 52.55 52.90 2qkt s ASP 586 Cb -0.13 -0.82 -0.00 0.00 1.01 0.00 0.00 42.92 42.97 2qkt s ASP 586 CO -0.07 -0.02 0.29 -1.48 0.21 0.00 0.00 175.17 174.10 2qkt s LEU 587 N 1.04 0.94 -0.40 1.23 0.05 -0.42 -4.93 118.68 116.19 2qkt s LEU 587 Ca -0.07 -0.78 -0.16 0.00 0.05 0.00 0.00 54.13 53.17 2qkt s LEU 587 Cb -0.15 1.28 0.01 0.00 -2.05 0.00 0.00 46.19 45.28 2qkt s LEU 587 CO -0.01 -0.88 0.35 -0.04 -0.55 0.00 0.00 176.35 175.23 2qkt s MET 588 N -3.93 3.13 0.35 1.48 -1.94 -1.26 -1.64 119.30 115.49 2qkt s MET 588 Ca 0.14 -0.82 -0.26 0.00 -1.71 0.00 0.00 55.69 53.04 2qkt s MET 588 Cb 0.03 -3.94 -0.09 0.00 2.01 0.00 0.00 34.83 32.84 2qkt s MET 588 CO -0.03 -0.73 1.08 0.21 -0.01 0.00 0.00 175.02 175.54 2qkt s LYS 589 N 1.89 4.33 -0.15 2.03 2.20 0.10 -4.96 119.74 125.18 2qkt s LYS 589 Ca 0.09 1.66 -0.05 0.00 -0.36 0.00 0.00 55.97 57.31 2qkt s LYS 589 Cb -0.18 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2qkt s LYS 589 CO 0.12 -0.02 0.02 0.15 -0.36 0.00 0.00 175.35 175.25 2qkt s LYS 590 N -2.06 3.69 0.34 4.03 -0.14 -1.26 -3.93 119.74 120.41 2qkt s LYS 590 Ca 0.53 -0.41 0.14 0.00 -1.36 0.00 0.00 55.97 54.87 2qkt s LYS 590 Cb -0.27 -3.04 1.04 0.00 -1.68 0.00 0.00 37.83 33.88 2qkt s LYS 590 CO 0.34 0.35 1.69 0.00 -0.76 0.00 0.00 175.35 176.97 2qkt h ALA 591 N 6.38 1.95 -0.00 5.17 0.00 -1.95 -0.65 119.26 130.16 2qkt h ALA 591 Ca -0.38 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qkt h ALA 591 Cb 1.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qkt h ALA 591 CO 0.65 -0.51 -0.20 0.41 0.00 0.00 0.00 179.25 179.60 2qkt n GLY 592 N -1.32 -1.03 3.12 0.00 0.00 -1.26 -4.77 105.19 99.93 2qkt n GLY 592 Ca 0.30 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2qkt n GLY 592 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkt s LYS 593 N -2.67 2.28 0.79 1.61 1.02 -0.25 -5.10 119.74 117.42 2qkt s LYS 593 Ca 0.22 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 2qkt s LYS 593 Cb 0.19 -3.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.49 2qkt s LYS 593 CO 0.54 -0.64 1.12 -1.83 -0.92 0.00 0.00 175.35 173.62 2qkt s GLU 594 N 1.17 1.98 0.44 1.68 1.03 -1.26 -4.45 118.70 119.29 2qkt s GLU 594 Ca -0.05 1.37 0.24 0.00 0.03 0.00 0.00 54.97 56.56 2qkt s GLU 594 Cb -0.20 -1.85 0.90 0.00 -0.80 0.00 0.00 34.13 32.18 2qkt s GLU 594 CO -0.03 -1.88 1.82 -0.07 -1.33 0.00 0.00 175.26 173.76 2qkt h LEU 595 N -1.07 0.00 0.97 1.83 3.38 -1.96 -3.46 115.31 115.00 2qkt h LEU 595 Ca -0.44 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.36 2qkt h LEU 595 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2qkt h LEU 595 CO 0.49 0.21 -0.20 0.61 0.09 0.00 0.00 178.44 179.64 2qkt n GLY 596 N 0.22 0.29 3.49 0.83 0.00 -1.26 -4.76 105.19 103.99 2qkt n GLY 596 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2qkt n GLY 596 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkt s LEU 597 N -2.25 2.93 -0.19 0.99 1.43 -1.26 0.20 118.68 120.52 2qkt s LEU 597 Ca 0.00 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2qkt s LEU 597 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2qkt s LEU 597 CO 0.00 0.29 -0.12 -0.44 0.23 0.00 0.00 176.35 176.31 2qkt s SER 598 N -0.37 3.81 0.29 2.29 0.01 -0.12 -5.00 113.70 114.60 2qkt s SER 598 Ca 0.05 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.91 2qkt s SER 598 Cb -0.12 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 2qkt s SER 598 CO 0.02 0.02 0.14 -0.76 0.41 0.00 0.00 173.24 173.07 2qkt s LEU 599 N 1.22 3.50 0.03 2.44 1.43 -1.26 -0.33 118.68 125.71 2qkt s LEU 599 Ca 0.02 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2qkt s LEU 599 Cb -0.14 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2qkt s LEU 599 CO -0.05 -0.12 0.07 -0.94 0.23 0.00 0.00 176.35 175.54 2qkt s SER 600 N -3.82 0.19 0.51 2.29 1.04 -0.79 -4.73 113.70 108.39 2qkt s SER 600 Ca 0.35 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 56.05 2qkt s SER 600 Cb -0.06 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 2qkt s SER 600 CO 0.23 -0.45 1.37 -2.65 0.98 0.00 0.00 173.24 172.72 2qkt n PRO 601 N 1.01 1.85 -3.94 4.02 -0.02 -1.26 -1.01 135.00 135.65 2qkt n PRO 601 Ca -0.20 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2qkt n PRO 601 Cb 0.57 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 2qkt n PRO 601 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2qkt s ASN 602 N -0.76 0.19 0.34 2.55 3.84 -0.48 -4.66 114.94 115.96 2qkt s ASN 602 Ca 0.68 -0.52 0.08 0.00 0.21 0.00 0.00 52.86 53.31 2qkt s ASN 602 Cb -0.43 0.21 0.79 0.00 -0.55 0.00 0.00 41.25 41.27 2qkt s ASN 602 CO 0.52 -0.48 1.85 -0.08 -2.79 0.00 0.00 177.10 176.12 2qkt h GLU 603 N 3.81 0.70 -0.26 0.43 4.81 -2.00 -2.45 114.58 119.62 2qkt h GLU 603 Ca -0.32 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2qkt h GLU 603 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2qkt h GLU 603 CO 0.49 0.46 0.00 0.44 -0.73 0.00 0.00 179.01 179.68 2qkt n ILE 604 N -4.60 1.71 0.00 2.32 -5.35 -1.26 -4.32 119.36 107.86 2qkt n ILE 604 Ca 0.19 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 2qkt n ILE 604 Cb 0.49 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 2qkt n ILE 604 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qkt n GLY 605 N -0.17 -0.32 2.98 3.28 0.00 -0.92 -3.93 105.19 106.11 2qkt n GLY 605 Ca 0.16 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 2qkt n GLY 605 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkt s THR 607 N 1.53 4.27 -0.69 0.00 2.01 -0.18 -0.05 115.64 122.52 2qkt s THR 607 Ca 0.03 1.73 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 2qkt s THR 607 Cb -0.14 -3.98 0.07 0.00 0.01 0.00 0.00 72.50 68.47 2qkt s THR 607 CO -0.09 0.14 1.01 -0.63 -0.69 0.00 0.00 174.62 174.36 2qkt s ILE 608 N -1.62 4.28 -0.01 1.82 1.01 0.27 -1.88 121.20 125.09 2qkt s ILE 608 Ca 0.49 -0.37 0.13 0.00 0.00 0.00 0.00 60.65 60.90 2qkt s ILE 608 Cb -0.18 -4.72 -0.02 0.00 0.01 0.00 0.00 42.46 37.55 2qkt s ILE 608 CO 0.23 -1.51 1.44 0.00 0.00 0.00 0.00 174.94 175.10 2qkt h ALA 609 N 9.57 0.63 -2.39 9.38 0.00 -1.00 -0.82 119.26 134.63 2qkt h ALA 609 Ca -0.25 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 53.98 2qkt h ALA 609 Cb 1.06 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.56 2qkt h ALA 609 CO 1.19 0.81 -0.09 0.34 0.00 0.00 0.00 179.25 181.50 2qkt s ASP 610 N -6.55 -0.35 -0.07 0.00 -1.08 -0.92 -4.86 116.67 102.84 2qkt s ASP 610 Ca 0.02 0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 52.24 2qkt s ASP 610 Cb 0.09 0.41 0.04 0.00 -1.46 0.00 0.00 42.92 41.99 2qkt s ASP 610 CO 0.76 -0.56 0.17 -0.22 0.52 0.00 0.00 175.17 175.84 2qkt s LEU 611 N -1.52 0.78 -0.45 -1.34 0.20 -1.26 -0.95 118.68 114.15 2qkt s LEU 611 Ca -0.10 0.35 -0.18 0.00 0.69 0.00 0.00 54.13 54.88 2qkt s LEU 611 Cb -0.02 0.46 0.03 0.00 -0.43 0.00 0.00 46.19 46.23 2qkt s LEU 611 CO 0.04 -0.14 0.51 -0.63 -0.29 0.00 0.00 176.35 175.84 2qkt s ILE 612 N 1.00 5.00 0.46 6.68 -1.09 0.13 -5.02 121.20 128.36 2qkt s ILE 612 Ca -0.08 -0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 57.76 2qkt s ILE 612 Cb -0.10 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 2qkt s ILE 612 CO -0.05 -0.55 1.39 -1.58 -1.23 0.00 0.00 174.94 172.91 2qkt s GLN 613 N 2.34 3.67 0.00 2.79 0.74 -1.26 -3.93 119.66 124.01 2qkt s GLN 613 Ca 0.14 2.32 0.00 0.00 0.05 0.00 0.00 55.36 57.87 2qkt s GLN 613 Cb -0.17 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.32 2qkt s GLN 613 CO 0.14 -0.80 0.00 0.41 -0.55 0.00 0.00 175.29 174.49 2qkt n GLY 614 N 0.61 0.53 0.05 2.59 0.00 -1.26 -5.00 105.19 102.72 2qkt n GLY 614 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2qkt n GLY 614 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qkt h GLN 615 N 4.85 0.00 -4.34 1.61 1.08 -1.88 -3.47 115.11 112.94 2qkt h GLN 615 Ca 0.00 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 2qkt h GLN 615 Cb 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.13 2qkt h GLN 615 CO 0.00 0.13 -0.77 0.71 -0.95 0.00 0.00 178.83 177.95 2qkt s TYR 616 N -1.69 0.68 0.36 2.96 1.51 -1.26 -5.04 117.35 114.86 2qkt s TYR 616 Ca -0.04 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2qkt s TYR 616 Cb -0.00 -0.50 0.69 0.00 -0.11 0.00 0.00 41.96 42.04 2qkt s TYR 616 CO 0.10 -0.07 2.00 -1.35 -1.11 0.00 0.00 175.55 175.12 2qkt h PRO 617 N 6.39 0.78 -0.08 -1.71 0.11 -1.98 -0.61 132.00 134.90 2qkt h PRO 617 Ca -0.33 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 2qkt h PRO 617 Cb 1.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2qkt h PRO 617 CO 0.49 0.51 -0.11 0.93 -0.21 0.00 0.00 178.00 179.61 2qkt h GLU 618 N 0.80 0.12 0.00 1.05 3.07 -1.96 -0.27 114.58 117.39 2qkt h GLU 618 Ca 0.25 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 2qkt h GLU 618 Cb 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qkt h GLU 618 CO -0.06 0.25 -0.32 0.82 -1.40 0.00 0.00 179.01 178.29 2qkt h ILE 619 N 0.12 1.37 -0.00 3.13 2.04 -1.75 -3.25 117.51 119.17 2qkt h ILE 619 Ca 0.03 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2qkt h ILE 619 Cb 0.28 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2qkt h ILE 619 CO 0.02 0.46 0.00 0.44 0.00 0.00 0.00 178.15 179.07 2qkt h ASP 620 N -1.00 0.00 0.27 1.72 3.32 -0.99 -0.85 116.42 118.88 2qkt h ASP 620 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2qkt h ASP 620 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2qkt h ASP 620 CO -0.05 0.00 -0.77 -1.54 -1.72 0.00 0.00 179.24 175.16 2qkt n SER 621 N -3.53 0.73 0.00 6.45 3.41 -0.12 -4.73 113.62 115.84 2qkt n SER 621 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2qkt n SER 621 Cb 0.08 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2qkt n SER 621 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qkt n LYS 622 N -1.53 0.00 -3.04 4.33 5.02 -0.88 -5.08 118.16 116.97 2qkt n LYS 622 Ca 0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2qkt n LYS 622 Cb 0.34 -0.69 -0.06 0.00 -0.02 0.00 0.00 35.03 34.60 2qkt n LYS 622 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qkt s LEU 623 N -4.43 4.27 0.02 -0.35 1.43 -0.38 -5.09 118.68 114.16 2qkt s LEU 623 Ca 0.00 1.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2qkt s LEU 623 Cb 0.00 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 2qkt s LEU 623 CO 0.00 -0.04 0.11 -1.10 0.23 0.00 0.00 176.35 175.55 2qkt s GLN 624 N -2.23 0.53 0.42 1.70 -0.21 -1.26 -4.84 119.66 113.77 2qkt s GLN 624 Ca 0.47 -0.56 -0.25 0.00 0.02 0.00 0.00 55.36 55.04 2qkt s GLN 624 Cb -0.15 0.21 -0.10 0.00 1.00 0.00 0.00 33.01 33.97 2qkt s GLN 624 CO 0.20 -0.13 1.13 0.54 -2.12 0.00 0.00 175.29 174.91 2qkt n ARG 625 N 1.15 1.58 0.00 2.91 1.74 -1.26 -1.54 116.66 121.24 2qkt n ARG 625 Ca -0.21 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2qkt n ARG 625 Cb 0.57 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2qkt n ARG 625 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkt n GLY 626 N 1.02 3.10 3.75 -0.13 0.00 -0.31 -4.99 105.19 107.62 2qkt n GLY 626 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2qkt n GLY 626 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkt s ASP 627 N 0.38 5.24 -0.14 1.61 1.01 -0.59 -4.47 116.67 119.71 2qkt s ASP 627 Ca 0.00 2.61 0.00 0.00 0.71 0.00 0.00 52.55 55.87 2qkt s ASP 627 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2qkt s ASP 627 CO 0.00 -1.58 -0.14 -0.63 0.21 0.00 0.00 175.17 173.03 2qkt s ILE 628 N -1.41 2.88 -0.22 0.77 1.01 0.19 -0.56 121.20 123.87 2qkt s ILE 628 Ca 0.74 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2qkt s ILE 628 Cb -0.36 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2qkt s ILE 628 CO 0.42 0.52 0.75 -0.63 0.00 0.00 0.00 174.94 176.00 2qkt s ILE 629 N 0.51 4.92 -0.05 2.92 1.01 0.93 -0.37 121.20 131.06 2qkt s ILE 629 Ca -0.10 1.42 0.20 0.00 0.00 0.00 0.00 60.65 62.18 2qkt s ILE 629 Cb -0.16 -4.05 -0.31 0.00 0.01 0.00 0.00 42.46 37.95 2qkt s ILE 629 CO 0.04 0.01 0.40 0.35 0.00 0.00 0.00 174.94 175.74 2qkt n THR 630 N 4.98 0.20 -3.67 2.92 -2.24 -0.10 -0.81 114.28 115.56 2qkt n THR 630 Ca 0.03 -0.53 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 2qkt n THR 630 Cb 0.49 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 2qkt n THR 630 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qkt s LYS 631 N -3.29 0.74 -0.05 -0.78 2.20 -1.21 -0.16 119.74 117.19 2qkt s LYS 631 Ca -0.08 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2qkt s LYS 631 Cb 0.12 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.82 2qkt s LYS 631 CO 0.85 -0.17 0.04 0.12 -0.36 0.00 0.00 175.35 175.82 2qkt s PHE 632 N -0.62 0.25 -1.38 4.03 5.36 -0.63 -1.46 117.98 123.53 2qkt s PHE 632 Ca -0.07 0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 55.97 2qkt s PHE 632 Cb -0.03 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.09 2qkt s PHE 632 CO 0.04 -0.22 0.43 0.09 -1.46 0.00 0.00 175.22 174.10 2qkt n ASN 633 N 5.15 -0.91 0.00 6.13 4.13 0.14 -1.82 115.26 128.07 2qkt n ASN 633 Ca -0.06 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.15 2qkt n ASN 633 Cb 0.50 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.85 2qkt n ASN 633 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qkt n GLY 634 N -2.01 2.67 3.64 7.41 0.00 -1.26 -5.02 105.19 110.61 2qkt n GLY 634 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2qkt n GLY 634 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkt s ASP 635 N -1.89 6.23 0.14 1.61 1.01 -0.76 -5.05 116.67 117.97 2qkt s ASP 635 Ca 0.00 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.22 2qkt s ASP 635 Cb 0.00 -2.17 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 2qkt s ASP 635 CO 0.00 -0.06 1.23 0.00 0.21 0.00 0.00 175.17 176.55 2qkt s ALA 636 N 1.52 3.45 -0.79 5.23 0.00 -1.26 -1.60 121.76 128.31 2qkt s ALA 636 Ca 0.13 0.96 0.23 0.00 0.00 0.00 0.00 51.96 53.28 2qkt s ALA 636 Cb -0.15 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.66 2qkt s ALA 636 CO 0.08 -0.44 1.12 1.28 0.00 0.00 0.00 175.76 177.80 2qkt n LEU 637 N 3.11 0.65 -4.73 0.00 4.77 0.78 -4.86 117.00 116.73 2qkt n LEU 637 Ca 0.07 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 2qkt n LEU 637 Cb 0.45 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2qkt n LEU 637 CO 0.56 0.10 1.03 -0.70 -1.33 0.00 0.00 177.39 177.06 2qkt s GLU 638 N -3.10 4.34 0.00 3.23 2.12 -1.25 -3.01 118.70 121.03 2qkt s GLU 638 Ca 0.07 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2qkt s GLU 638 Cb 0.16 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.33 2qkt s GLU 638 CO 0.78 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 2qkt n GLY 639 N 2.97 0.82 3.92 -1.50 0.00 -1.26 -4.99 105.19 105.16 2qkt n GLY 639 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2qkt n GLY 639 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkt s LEU 640 N 0.00 3.35 0.34 0.99 1.43 -1.16 -5.00 118.68 118.62 2qkt s LEU 640 Ca 0.00 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 53.50 2qkt s LEU 640 Cb 0.00 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.56 2qkt s LEU 640 CO 0.00 -0.94 1.37 -2.65 0.23 0.00 0.00 176.35 174.36 2qkt n PRO 641 N -2.47 2.28 -0.01 1.29 -0.02 -1.26 -4.83 135.00 129.99 2qkt n PRO 641 Ca 0.04 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.54 2qkt n PRO 641 Cb 0.57 -2.44 0.72 0.00 -0.02 0.00 0.00 33.50 32.33 2qkt n PRO 641 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qkt h PHE 642 N 2.98 0.00 -0.11 6.00 -5.15 -1.98 -1.45 116.94 117.23 2qkt h PHE 642 Ca -0.47 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.33 2qkt h PHE 642 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 2qkt h PHE 642 CO 0.52 0.00 0.09 1.96 -2.00 0.00 0.00 178.31 178.88 2qkt h GLN 643 N 0.00 0.00 -0.77 6.09 7.50 -2.01 -2.38 115.11 123.54 2qkt h GLN 643 Ca 0.27 0.00 0.14 0.00 0.50 0.00 0.00 58.65 59.56 2qkt h GLN 643 Cb 1.18 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.62 2qkt h GLN 643 CO -0.00 0.00 0.33 0.28 -1.50 0.00 0.00 178.83 177.94 2qkt h VAL 644 N 0.00 0.69 -0.18 -0.54 2.07 -1.61 -0.99 116.25 115.69 2qkt h VAL 644 Ca 0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2qkt h VAL 644 Cb 0.23 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2qkt h VAL 644 CO -0.00 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.73 2qkt n TYR 646 N -4.44 0.00 -1.16 0.00 4.02 -0.39 -3.53 117.16 111.67 2qkt n TYR 646 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2qkt n TYR 646 Cb 0.13 -0.34 0.01 0.00 -0.02 0.00 0.00 39.34 39.13 2qkt n TYR 646 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qkt n ALA 647 N -1.34 1.58 -0.30 -0.72 0.00 -0.58 -4.91 120.51 114.24 2qkt n ALA 647 Ca 0.12 -0.95 0.14 0.00 0.00 0.00 0.00 53.44 52.76 2qkt n ALA 647 Cb 0.26 -0.19 0.32 0.00 0.00 0.00 0.00 19.45 19.83 2qkt n ALA 647 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qkt h LEU 648 N 0.00 0.16 -2.64 0.00 5.85 -0.66 -1.47 115.31 116.55 2qkt h LEU 648 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qkt h LEU 648 Cb 1.04 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2qkt h LEU 648 CO 0.00 -0.11 0.00 0.49 -0.34 0.00 0.00 178.44 178.48 2qkt n PHE 649 N -5.15 0.77 -2.41 1.25 0.99 -1.26 -4.85 117.46 106.80 2qkt n PHE 649 Ca 0.23 -0.43 -0.42 0.00 -0.00 0.00 0.00 57.45 56.83 2qkt n PHE 649 Cb 0.71 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.16 2qkt n PHE 649 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2qkt s LYS 650 N -1.12 4.36 0.00 -1.08 1.02 -0.55 -1.98 119.74 120.39 2qkt s LYS 650 Ca 0.42 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.16 2qkt s LYS 650 Cb 0.23 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 2qkt s LYS 650 CO 0.30 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 2qkt n GLY 651 N 3.38 0.82 3.73 -3.33 0.00 -1.26 -5.02 105.19 103.51 2qkt n GLY 651 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2qkt n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkt n ALA 652 N -0.04 1.93 -3.54 4.61 0.00 -0.84 -4.98 120.51 117.65 2qkt n ALA 652 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.64 2qkt n ALA 652 Cb 0.00 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 2qkt n ALA 652 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qkt s ASN 653 N 0.09 -0.63 1.93 0.00 2.20 -1.26 -4.99 114.94 112.28 2qkt s ASN 653 Ca 0.60 0.73 0.00 0.00 -0.94 0.00 0.00 52.86 53.25 2qkt s ASN 653 Cb -0.54 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 2qkt s ASN 653 CO 0.56 -0.55 0.00 0.61 -2.94 0.00 0.00 177.10 174.79 2qkt n GLY 654 N 1.03 4.03 3.72 0.45 0.00 -1.25 -4.68 105.19 108.48 2qkt n GLY 654 Ca -0.17 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2qkt n GLY 654 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qkt s LYS 655 N 0.00 4.20 -0.23 1.61 2.20 -1.26 0.02 119.74 126.29 2qkt s LYS 655 Ca 0.00 2.39 -0.01 0.00 -0.36 0.00 0.00 55.97 57.99 2qkt s LYS 655 Cb 0.00 -3.15 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 2qkt s LYS 655 CO 0.00 -0.63 0.02 0.08 -0.36 0.00 0.00 175.35 174.46 2qkt s VAL 656 N 1.18 0.92 -0.13 4.02 1.01 -0.65 -4.88 120.40 121.87 2qkt s VAL 656 Ca 0.71 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2qkt s VAL 656 Cb -0.44 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2qkt s VAL 656 CO 0.31 -0.25 -0.13 -0.55 0.00 0.00 0.00 175.10 174.47 2qkt s SER 657 N 1.66 2.50 0.06 3.32 0.15 -1.26 -1.30 113.70 118.84 2qkt s SER 657 Ca -0.01 -0.43 0.09 0.00 0.70 0.00 0.00 55.95 56.30 2qkt s SER 657 Cb -0.18 -1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 2qkt s SER 657 CO -0.10 -0.04 -0.24 -0.04 1.20 0.00 0.00 173.24 174.01 2qkt s MET 658 N 1.35 1.54 -0.14 5.44 -1.94 0.36 -0.69 119.30 125.22 2qkt s MET 658 Ca 0.01 -1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 52.87 2qkt s MET 658 Cb -0.13 -1.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.92 2qkt s MET 658 CO -0.07 0.44 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.08 2qkt s GLU 659 N -1.42 3.47 0.10 2.03 2.02 -0.54 -1.15 118.70 123.21 2qkt s GLU 659 Ca 0.10 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.52 2qkt s GLU 659 Cb -0.10 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2qkt s GLU 659 CO 0.03 0.21 -0.15 0.08 0.02 0.00 0.00 175.26 175.45 2qkt s VAL 660 N 0.40 1.26 -0.01 2.63 1.01 0.10 -0.92 120.40 124.87 2qkt s VAL 660 Ca -0.08 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 60.44 2qkt s VAL 660 Cb -0.15 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2qkt s VAL 660 CO 0.04 -0.29 -0.14 -0.89 0.00 0.00 0.00 175.10 173.82 2qkt s THR 661 N -1.63 1.15 -0.25 3.92 2.01 0.51 -1.45 115.64 119.90 2qkt s THR 661 Ca 0.03 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 2qkt s THR 661 Cb -0.08 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.50 2qkt s THR 661 CO 0.03 0.33 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.61 2qkt s ARG 662 N -0.30 2.80 0.10 4.92 3.52 -0.60 0.55 118.95 129.95 2qkt s ARG 662 Ca 0.05 -0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 54.64 2qkt s ARG 662 Cb -0.06 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2qkt s ARG 662 CO -0.00 -0.40 0.07 -2.30 -0.81 0.00 0.00 175.30 171.85 2qkt n PRO 663 N 4.65 -1.84 0.00 5.12 -0.02 -1.26 -3.94 135.00 137.71 2qkt n PRO 663 Ca -0.17 -0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2qkt n PRO 663 Cb 0.47 -0.13 0.53 0.00 -0.02 0.00 0.00 33.50 34.35 2qkt n PRO 663 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84