#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kus s PRO 554 N 0.00 1.65 0.23 0.00 0.04 -1.26 -4.59 135.00 131.06 3kus s PRO 554 Ca 0.00 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 3kus s PRO 554 Cb 0.00 -1.80 0.32 0.00 0.04 0.00 0.00 34.50 33.06 3kus s PRO 554 CO 0.00 -2.15 1.63 -1.35 0.04 0.00 0.00 177.00 175.17 3kus h PRO 555 N -1.28 0.04 -0.56 0.56 0.11 -2.06 0.53 132.00 129.34 3kus h PRO 555 Ca -0.44 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3kus h PRO 555 Cb 1.26 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3kus h PRO 555 CO 0.46 0.03 0.26 1.96 -0.21 0.00 0.00 178.00 180.50 3kus h GLN 556 N 0.04 0.79 0.00 1.05 4.20 -2.00 -2.11 115.11 117.09 3kus h GLN 556 Ca 0.35 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.77 3kus h GLN 556 Cb 0.57 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3kus h GLN 556 CO -0.67 0.62 -0.86 0.93 -0.67 0.00 0.00 178.83 178.18 3kus h GLU 557 N 0.79 0.19 -0.44 1.46 5.08 -1.32 -1.48 114.58 118.86 3kus h GLU 557 Ca 0.20 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3kus h GLU 557 Cb 0.10 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3kus h GLU 557 CO -0.02 0.94 0.26 1.96 -1.00 0.00 0.00 179.01 181.15 3kus h GLN 558 N 0.11 0.50 -0.70 2.33 4.20 -0.66 0.25 115.11 121.15 3kus h GLN 558 Ca -0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3kus h GLN 558 Cb 1.49 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 3kus h GLN 558 CO 0.13 0.33 0.20 0.87 -0.67 0.00 0.00 178.83 179.70 3kus h LYS 559 N 0.52 1.08 -0.59 1.46 1.79 -1.29 -1.16 116.57 118.39 3kus h LYS 559 Ca 0.17 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3kus h LYS 559 Cb 0.01 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 3kus h LYS 559 CO -0.08 0.93 0.27 0.37 -1.08 0.00 0.00 179.45 179.86 3kus h GLN 560 N 1.04 0.86 -0.39 3.15 5.75 -0.89 0.13 115.11 124.75 3kus h GLN 560 Ca 0.22 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3kus h GLN 560 Cb 0.31 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3kus h GLN 560 CO -0.01 0.70 0.24 0.52 -2.65 0.00 0.00 178.83 177.64 3kus h MET 561 N 0.80 0.53 -0.55 1.69 2.86 -0.59 -0.98 114.93 118.69 3kus h MET 561 Ca 0.20 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3kus h MET 561 Cb 0.14 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3kus h MET 561 CO -0.02 0.39 0.25 -0.07 1.06 0.00 0.00 176.91 178.52 3kus h LEU 562 N 0.52 0.74 -1.14 1.22 3.38 -1.03 -2.91 115.31 116.09 3kus h LEU 562 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kus h LEU 562 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3kus h LEU 562 CO -0.03 0.69 0.41 1.23 0.09 0.00 0.00 178.44 180.83 3kus h GLY 563 N 0.75 1.07 1.77 0.83 0.00 -0.47 -1.25 103.07 105.79 3kus h GLY 563 Ca 0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3kus h GLY 563 CO -0.02 0.45 0.09 0.83 0.00 0.00 0.00 176.54 177.89 3kus h GLU 564 N 1.02 0.30 0.13 4.80 4.39 -0.98 0.10 114.58 124.34 3kus h GLU 564 Ca 0.26 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.63 3kus h GLU 564 Cb 0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3kus h GLU 564 CO -0.04 0.25 -1.49 0.00 -1.16 0.00 0.00 179.01 176.57 3kus h ARG 565 N 0.31 0.27 -0.15 2.33 -0.00 -1.38 -3.36 114.38 112.40 3kus h ARG 565 Ca 0.08 -0.46 -0.21 0.00 -0.50 0.00 0.00 59.98 58.89 3kus h ARG 565 Cb 0.06 0.17 0.01 0.00 0.00 0.00 0.00 29.97 30.21 3kus h ARG 565 CO -0.01 1.15 -0.74 -0.07 0.00 0.00 0.00 179.97 180.30 3kus h LEU 566 N 0.07 0.82 -0.27 3.04 3.38 -0.95 -3.38 115.31 118.02 3kus h LEU 566 Ca -0.23 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.26 3kus h LEU 566 Cb 2.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 3kus h LEU 566 CO 0.17 1.31 0.01 0.15 0.09 0.00 0.00 178.44 180.18 3kus h PHE 567 N 0.48 0.01 -0.06 1.13 3.04 -0.94 -1.11 116.94 119.49 3kus h PHE 567 Ca -0.04 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 3kus h PHE 567 Cb 1.36 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 3kus h PHE 567 CO 0.07 -0.03 -0.07 -1.35 -2.02 0.00 0.00 178.31 174.92 3kus h PRO 568 N 0.10 0.08 -0.12 6.41 0.11 -1.76 0.26 132.00 137.07 3kus h PRO 568 Ca 0.13 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 3kus h PRO 568 Cb 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3kus h PRO 568 CO -0.21 0.15 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.49 3kus h LEU 569 N 0.08 0.37 -0.64 2.35 3.38 -1.54 -2.12 115.31 117.19 3kus h LEU 569 Ca 0.02 -0.52 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 3kus h LEU 569 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kus h LEU 569 CO 0.01 0.82 -0.27 0.40 0.09 0.00 0.00 178.44 179.49 3kus h ILE 570 N -0.07 1.28 -0.72 1.22 2.04 -0.87 -2.51 117.51 117.88 3kus h ILE 570 Ca 0.01 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.48 3kus h ILE 570 Cb 0.74 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3kus h ILE 570 CO 0.04 0.46 0.47 -0.61 0.00 0.00 0.00 178.15 178.52 3kus h GLN 571 N 0.67 0.95 -0.75 2.37 4.15 -0.53 0.54 115.11 122.51 3kus h GLN 571 Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3kus h GLN 571 Cb 0.79 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 3kus h GLN 571 CO 0.07 0.63 0.35 0.00 -1.93 0.00 0.00 178.83 177.94 3kus h ALA 572 N 1.55 0.97 -0.25 3.38 0.00 -0.96 -1.76 119.26 122.20 3kus h ALA 572 Ca 0.26 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3kus h ALA 572 Cb -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 3kus h ALA 572 CO -0.06 0.55 -0.28 0.52 0.00 0.00 0.00 179.25 179.98 3kus h MET 573 N 1.07 0.63 -1.99 0.00 2.86 -1.05 -3.41 114.93 113.05 3kus h MET 573 Ca 0.26 -0.35 -0.47 0.00 -2.06 0.00 0.00 59.70 57.08 3kus h MET 573 Cb 0.14 0.02 -0.32 0.00 0.06 0.00 0.00 31.60 31.50 3kus h MET 573 CO -0.03 0.95 -0.85 0.72 1.06 0.00 0.00 176.91 178.76 3kus n HIS 574 N -4.31 -1.72 -0.34 -0.22 8.25 0.12 -5.02 115.22 111.98 3kus n HIS 574 Ca -0.05 -2.79 0.13 0.00 -0.26 0.00 0.00 57.72 54.76 3kus n HIS 574 Cb 0.47 0.59 0.35 0.00 1.12 0.00 0.00 29.99 32.51 3kus n HIS 574 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kus h PRO 575 N 5.43 0.71 0.00 -0.41 0.11 -1.54 -1.87 132.00 134.43 3kus h PRO 575 Ca 0.21 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3kus h PRO 575 Cb 0.96 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3kus h PRO 575 CO 0.28 0.47 -0.34 1.79 -0.21 0.00 0.00 178.00 179.99 3kus h THR 576 N 0.73 0.60 -0.25 -1.15 1.35 -1.95 -3.31 112.91 108.93 3kus h THR 576 Ca 0.56 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3kus h THR 576 Cb 0.91 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3kus h THR 576 CO -0.34 0.33 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kus n LEU 577 N -3.20 2.68 -0.12 3.87 4.77 -0.87 -4.78 117.00 119.35 3kus n LEU 577 Ca 0.02 -1.58 -0.05 0.00 -0.03 0.00 0.00 56.01 54.38 3kus n LEU 577 Cb 0.65 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3kus n LEU 577 CO 0.38 0.61 0.81 0.00 -1.33 0.00 0.00 177.39 177.86 3kus h ALA 578 N 2.47 0.29 -0.47 -1.18 0.00 -1.46 0.27 119.26 119.19 3kus h ALA 578 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kus h ALA 578 Cb 0.68 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kus h ALA 578 CO 0.00 -0.44 0.16 0.78 0.00 0.00 0.00 179.25 179.75 3kus h GLY 579 N 0.03 0.78 0.71 0.00 0.00 -1.88 0.08 103.07 102.79 3kus h GLY 579 Ca 0.19 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3kus h GLY 579 CO -0.37 0.42 -0.01 1.70 0.00 0.00 0.00 176.54 178.28 3kus h LYS 580 N 0.62 0.15 -0.55 4.80 1.63 -1.78 -1.43 116.57 120.01 3kus h LYS 580 Ca 0.15 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3kus h LYS 580 Cb 0.25 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3kus h LYS 580 CO -0.01 0.45 0.26 0.82 -3.45 0.00 0.00 179.45 177.53 3kus h ILE 581 N -0.17 1.20 -0.63 2.00 2.04 -0.91 -0.84 117.51 120.20 3kus h ILE 581 Ca 0.02 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3kus h ILE 581 Cb 0.39 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3kus h ILE 581 CO 0.01 0.23 0.42 0.74 0.00 0.00 0.00 178.15 179.54 3kus h THR 582 N 0.74 1.16 -0.87 -0.27 2.02 -0.94 -1.24 112.91 113.52 3kus h THR 582 Ca 0.19 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3kus h THR 582 Cb 0.12 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 3kus h THR 582 CO -0.02 0.16 0.57 1.23 0.37 0.00 0.00 175.52 177.82 3kus h GLY 583 N 0.86 1.24 0.97 2.16 0.00 -0.81 -0.33 103.07 107.16 3kus h GLY 583 Ca 0.23 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3kus h GLY 583 CO -0.05 0.40 0.09 -0.33 0.00 0.00 0.00 176.54 176.66 3kus h MET 584 N 1.13 0.20 -0.18 4.80 2.07 -0.69 -2.90 114.93 119.36 3kus h MET 584 Ca 0.33 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.89 3kus h MET 584 Cb -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 3kus h MET 584 CO -0.09 0.17 -0.15 -0.07 1.07 0.00 0.00 176.91 177.84 3kus h LEU 585 N 0.18 0.28 -1.75 1.22 4.07 -0.82 -2.80 115.31 115.69 3kus h LEU 585 Ca 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3kus h LEU 585 Cb 0.02 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3kus h LEU 585 CO -0.01 0.46 0.00 -0.07 -1.08 0.00 0.00 178.44 177.74 3kus h LEU 586 N 0.28 0.00 -0.17 1.67 3.38 -0.85 -1.37 115.31 118.25 3kus h LEU 586 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kus h LEU 586 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kus h LEU 586 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 3kus n GLU 587 N -2.64 0.15 -1.96 1.13 1.02 -1.06 -4.83 120.64 112.46 3kus n GLU 587 Ca -0.01 0.22 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 3kus n GLU 587 Cb 0.13 -1.71 0.06 0.00 -0.02 0.00 0.00 31.44 29.89 3kus n GLU 587 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kus s ILE 588 N -3.12 3.12 0.25 -3.67 -4.36 -0.52 -4.98 121.20 107.93 3kus s ILE 588 Ca 0.09 0.29 -0.30 0.00 -0.26 0.00 0.00 60.65 60.47 3kus s ILE 588 Cb 0.13 -3.35 -0.14 0.00 1.25 0.00 0.00 42.46 40.35 3kus s ILE 588 CO 0.49 -0.44 1.26 -0.67 0.24 0.00 0.00 174.94 175.82 3kus n ASP 589 N -3.03 2.21 -0.23 4.36 2.03 -1.26 -4.82 116.55 115.81 3kus n ASP 589 Ca 0.07 1.16 0.08 0.00 0.52 0.00 0.00 54.79 56.62 3kus n ASP 589 Cb 0.58 -1.37 0.34 0.00 -0.72 0.00 0.00 41.12 39.95 3kus n ASP 589 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3kus h ASN 590 N 3.34 0.70 -0.53 1.67 2.35 -1.93 -1.56 115.58 119.62 3kus h ASN 590 Ca -0.44 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.37 3kus h ASN 590 Cb 1.30 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.50 3kus h ASN 590 CO 0.69 0.42 0.29 0.77 -1.65 0.00 0.00 177.43 177.96 3kus h SER 591 N 0.78 0.44 -0.73 5.81 4.64 -2.00 -0.11 113.55 122.39 3kus h SER 591 Ca 0.37 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 3kus h SER 591 Cb 0.41 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3kus h SER 591 CO -0.15 0.30 0.28 -0.33 -0.87 0.00 0.00 176.83 176.07 3kus h GLU 592 N 0.56 1.10 -0.56 4.77 5.08 -1.67 -1.84 114.58 122.02 3kus h GLU 592 Ca 0.22 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3kus h GLU 592 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3kus h GLU 592 CO -0.13 0.91 0.18 -0.07 -1.00 0.00 0.00 179.01 178.90 3kus h LEU 593 N 1.05 0.81 -0.89 1.33 3.38 -0.92 -0.01 115.31 120.07 3kus h LEU 593 Ca 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kus h LEU 593 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3kus h LEU 593 CO -0.02 0.80 0.54 -0.07 0.09 0.00 0.00 178.44 179.78 3kus h LEU 594 N 0.78 1.07 -0.65 1.67 3.38 -0.87 -1.93 115.31 118.75 3kus h LEU 594 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3kus h LEU 594 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kus h LEU 594 CO -0.01 0.82 0.08 -0.74 0.09 0.00 0.00 178.44 178.68 3kus h HIS 595 N 1.22 1.18 -0.21 1.13 2.76 -0.93 -2.58 115.15 117.73 3kus h HIS 595 Ca 0.32 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3kus h HIS 595 Cb -0.05 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 3kus h HIS 595 CO 0.00 1.00 0.05 0.52 -1.30 0.00 0.00 177.93 178.21 3kus h MET 596 N 1.02 0.30 0.00 5.26 2.86 -0.53 0.42 114.93 124.26 3kus h MET 596 Ca 0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3kus h MET 596 Cb 0.48 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3kus h MET 596 CO 0.02 0.28 0.00 1.28 1.06 0.00 0.00 176.91 179.55 3kus n LEU 597 N -4.41 0.20 -0.26 1.22 4.77 -0.77 -2.54 117.00 115.21 3kus n LEU 597 Ca 0.00 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 3kus n LEU 597 Cb 0.15 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3kus n LEU 597 CO 0.36 -0.35 0.34 -0.62 -1.33 0.00 0.00 177.39 175.79 3kus n GLU 598 N -1.72 0.20 -3.50 3.23 1.02 0.01 -4.89 120.64 114.97 3kus n GLU 598 Ca 0.03 -0.87 -0.29 0.00 -0.02 0.00 0.00 57.16 56.02 3kus n GLU 598 Cb 0.19 -1.12 -0.12 0.00 -0.02 0.00 0.00 31.44 30.37 3kus n GLU 598 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kus s SER 599 N -0.62 2.91 0.37 1.62 0.15 -0.42 -5.00 113.70 112.72 3kus s SER 599 Ca 0.08 -2.39 0.14 0.00 0.70 0.00 0.00 55.95 54.48 3kus s SER 599 Cb 0.06 -0.53 0.99 0.00 -1.71 0.00 0.00 66.02 64.83 3kus s SER 599 CO 0.09 -0.28 1.79 -0.65 1.20 0.00 0.00 173.24 175.39 3kus h PRO 600 N 6.77 0.49 -0.60 5.44 0.11 -1.89 -0.75 132.00 141.58 3kus h PRO 600 Ca 0.08 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 3kus h PRO 600 Cb 0.95 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3kus h PRO 600 CO 0.32 0.33 0.00 0.93 -0.21 0.00 0.00 178.00 179.37 3kus h GLU 601 N 0.51 1.06 -0.42 1.05 5.08 -1.94 -0.13 114.58 119.78 3kus h GLU 601 Ca 0.56 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3kus h GLU 601 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3kus h GLU 601 CO -0.30 1.03 0.09 0.77 -1.00 0.00 0.00 179.01 179.61 3kus h SER 602 N 0.96 0.65 -0.40 1.42 0.02 -1.53 -1.11 113.55 113.55 3kus h SER 602 Ca 0.17 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3kus h SER 602 Cb 0.55 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3kus h SER 602 CO 0.03 0.72 0.18 0.25 -1.14 0.00 0.00 176.83 176.87 3kus h LEU 603 N 0.55 0.53 -0.61 5.07 5.85 -1.07 -1.95 115.31 123.68 3kus h LEU 603 Ca 0.13 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kus h LEU 603 Cb 0.33 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kus h LEU 603 CO 0.00 0.53 0.40 -0.09 -0.34 0.00 0.00 178.44 178.94 3kus h ARG 604 N 0.50 0.81 -0.55 1.25 9.65 -0.87 0.20 114.38 125.36 3kus h ARG 604 Ca 0.13 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3kus h ARG 604 Cb 0.15 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3kus h ARG 604 CO -0.01 0.54 0.28 0.77 2.80 0.00 0.00 179.97 184.35 3kus h SER 605 N 0.83 0.71 -0.44 -3.80 0.02 -1.07 -0.96 113.55 108.84 3kus h SER 605 Ca 0.22 -0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 3kus h SER 605 Cb -0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3kus h SER 605 CO -0.05 0.63 -0.30 0.50 -1.14 0.00 0.00 176.83 176.47 3kus h LYS 606 N 0.74 0.97 -0.46 3.45 1.63 -0.99 -1.92 116.57 119.99 3kus h LYS 606 Ca 0.19 -0.46 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 3kus h LYS 606 Cb 0.09 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3kus h LYS 606 CO -0.03 1.13 0.22 0.28 -3.45 0.00 0.00 179.45 177.60 3kus h VAL 607 N 0.81 1.19 -0.73 2.00 2.07 -0.85 0.08 116.25 120.82 3kus h VAL 607 Ca 0.09 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3kus h VAL 607 Cb 0.88 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3kus h VAL 607 CO 0.08 0.21 0.45 0.44 0.02 0.00 0.00 177.57 178.77 3kus h ASP 608 N 0.61 0.73 -0.15 0.57 3.32 -1.03 0.60 116.42 121.07 3kus h ASP 608 Ca 0.16 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3kus h ASP 608 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kus h ASP 608 CO -0.02 0.50 0.08 -0.08 -1.72 0.00 0.00 179.24 177.99 3kus h GLU 609 N 0.87 0.20 -0.62 3.56 4.81 -1.08 -1.83 114.58 120.49 3kus h GLU 609 Ca 0.30 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3kus h GLU 609 Cb 0.06 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 3kus h GLU 609 CO -0.13 0.22 0.36 0.00 -0.73 0.00 0.00 179.01 178.73 3kus h ALA 610 N 0.97 0.82 -0.35 2.92 0.00 -0.39 -0.71 119.26 122.51 3kus h ALA 610 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kus h ALA 610 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kus h ALA 610 CO -0.01 0.06 0.19 0.28 0.00 0.00 0.00 179.25 179.77 3kus h VAL 611 N 0.69 1.15 -0.68 0.00 2.07 -0.77 0.13 116.25 118.83 3kus h VAL 611 Ca 0.27 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kus h VAL 611 Cb 0.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3kus h VAL 611 CO -0.14 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.01 3kus h ALA 612 N 1.05 0.87 -0.26 1.67 0.00 -0.97 -0.59 119.26 121.02 3kus h ALA 612 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kus h ALA 612 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kus h ALA 612 CO -0.02 0.34 -0.09 0.28 0.00 0.00 0.00 179.25 179.76 3kus h VAL 613 N 0.92 1.29 -0.16 0.00 2.07 -0.95 -2.10 116.25 117.34 3kus h VAL 613 Ca 0.24 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3kus h VAL 613 Cb -0.03 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kus h VAL 613 CO -0.05 0.36 0.10 0.25 0.02 0.00 0.00 177.57 178.25 3kus h LEU 614 N 0.25 0.19 -0.68 2.57 5.85 -0.61 -1.91 115.31 120.97 3kus h LEU 614 Ca 0.06 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kus h LEU 614 Cb 0.58 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3kus h LEU 614 CO 0.03 0.17 0.36 1.56 -0.34 0.00 0.00 178.44 180.22 3kus h GLN 615 N 0.19 0.96 -0.65 1.25 4.20 -1.11 -0.99 115.11 118.96 3kus h GLN 615 Ca 0.06 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3kus h GLN 615 Cb 0.01 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3kus h GLN 615 CO -0.01 0.73 0.20 0.00 -0.67 0.00 0.00 178.83 179.08 3kus h ALA 616 N 1.18 1.13 -0.26 3.87 0.00 -1.30 -1.63 119.26 122.24 3kus h ALA 616 Ca 0.24 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3kus h ALA 616 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kus h ALA 616 CO -0.04 0.60 -0.40 1.25 0.00 0.00 0.00 179.25 180.66 3kus h HIS 617 N 0.96 0.91 -0.42 0.00 -0.00 -1.00 -2.12 115.15 113.48 3kus h HIS 617 Ca 0.21 -0.31 -0.08 0.00 -0.00 0.00 0.00 60.37 60.19 3kus h HIS 617 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 3kus h HIS 617 CO 0.02 1.09 -0.07 1.96 -0.00 0.00 0.00 177.93 180.92 3kus h GLN 618 N 0.47 0.73 -0.28 5.26 4.20 -1.10 -0.12 115.11 124.28 3kus h GLN 618 Ca 0.02 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3kus h GLN 618 Cb 1.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3kus h GLN 618 CO 0.09 0.79 0.08 0.00 -0.67 0.00 0.00 178.83 179.12 3kus h ALA 619 N 1.25 0.36 -0.42 3.87 0.00 -1.27 -1.58 119.26 121.47 3kus h ALA 619 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kus h ALA 619 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kus h ALA 619 CO 0.03 0.01 0.06 1.57 0.00 0.00 0.00 179.25 180.91 3kus h LYS 620 N 0.28 0.64 0.00 0.00 -0.00 -1.13 -2.63 116.57 113.73 3kus h LYS 620 Ca 0.09 -0.13 -0.07 0.00 -0.00 0.00 0.00 60.65 60.54 3kus h LYS 620 Cb 0.26 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 32.39 3kus h LYS 620 CO -0.00 0.62 -0.33 1.05 -0.00 0.00 0.00 179.45 180.78 3kus h GLU 621 N 0.61 0.00 -0.00 0.07 -0.00 -0.88 -3.51 114.58 110.87 3kus h GLU 621 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 3kus h GLU 621 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 3kus h GLU 621 CO 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 179.01 179.35