#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kus s THR 546 N 0.00 4.11 0.33 1.96 -4.23 -1.26 -5.02 115.64 111.53 3kus s THR 546 Ca 0.00 -1.57 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3kus s THR 546 Cb 0.00 -3.22 0.28 0.00 1.34 0.00 0.00 72.50 70.90 3kus s THR 546 CO 0.00 -0.35 1.95 0.00 -0.54 0.00 0.00 174.62 175.67 3kus h ALA 547 N 1.61 1.60 -0.73 3.99 0.00 -2.02 -2.03 119.26 121.68 3kus h ALA 547 Ca -0.47 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3kus h ALA 547 Cb 1.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3kus h ALA 547 CO 0.61 0.29 0.25 1.03 0.00 0.00 0.00 179.25 181.43 3kus h SER 548 N 0.89 1.05 -0.31 0.00 0.87 -1.98 0.20 113.55 114.27 3kus h SER 548 Ca 0.33 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3kus h SER 548 Cb 0.17 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3kus h SER 548 CO -0.11 0.97 0.19 0.24 -0.53 0.00 0.00 176.83 177.59 3kus h MET 549 N 1.08 0.41 -0.40 2.24 2.07 -1.84 -2.85 114.93 115.64 3kus h MET 549 Ca 0.24 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.82 3kus h MET 549 Cb 0.28 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 3kus h MET 549 CO -0.01 0.31 0.17 -0.07 1.07 0.00 0.00 176.91 178.37 3kus h LEU 550 N 0.40 0.54 -2.52 1.22 3.38 -1.04 -2.83 115.31 114.45 3kus h LEU 550 Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kus h LEU 550 Cb -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kus h LEU 550 CO -0.02 0.55 0.14 0.00 0.09 0.00 0.00 178.44 179.19 3kus h ALA 551 N 1.02 1.29 0.00 1.53 0.00 -0.49 -1.52 119.26 121.08 3kus h ALA 551 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kus h ALA 551 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kus h ALA 551 CO -0.01 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.51 3kus n SER 552 N -3.22 0.13 -4.59 0.00 7.64 -1.07 -4.89 113.62 107.63 3kus n SER 552 Ca -0.02 0.51 -0.30 0.00 1.01 0.00 0.00 58.87 60.08 3kus n SER 552 Cb 0.21 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 3kus n SER 552 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kus s ALA 553 N -3.02 3.01 0.79 -0.43 0.00 -0.58 -5.13 121.76 116.41 3kus s ALA 553 Ca 0.13 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3kus s ALA 553 Cb 0.17 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.42 3kus s ALA 553 CO 0.52 0.65 1.13 -2.14 0.00 0.00 0.00 175.76 175.92 3kus s PRO 554 N -2.21 1.95 0.22 0.00 0.02 -1.26 -4.63 135.00 129.09 3kus s PRO 554 Ca 0.22 1.41 -0.08 0.00 0.02 0.00 0.00 61.00 62.57 3kus s PRO 554 Cb -0.11 -1.84 0.32 0.00 0.02 0.00 0.00 34.50 32.88 3kus s PRO 554 CO 0.14 -1.91 1.76 -1.35 -0.33 0.00 0.00 177.00 175.31 3kus h PRO 555 N -1.04 0.47 -0.12 5.54 0.11 -1.99 0.65 132.00 135.62 3kus h PRO 555 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3kus h PRO 555 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kus h PRO 555 CO 0.48 0.31 -0.32 0.37 -0.21 0.00 0.00 178.00 178.64 3kus h GLN 556 N 0.49 0.23 0.00 1.05 5.75 -2.00 -2.58 115.11 118.04 3kus h GLN 556 Ca 0.33 -0.09 -0.16 0.00 -0.15 0.00 0.00 58.65 58.59 3kus h GLN 556 Cb 0.40 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3kus h GLN 556 CO -0.30 0.53 -0.75 0.93 -2.65 0.00 0.00 178.83 176.59 3kus h GLU 557 N 0.20 0.00 -0.82 1.69 5.08 -1.61 -2.63 114.58 116.49 3kus h GLU 557 Ca 0.03 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3kus h GLU 557 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3kus h GLU 557 CO 0.05 0.75 0.53 1.96 -1.00 0.00 0.00 179.01 181.30 3kus h GLN 558 N 0.00 1.02 -0.54 2.33 4.20 -0.61 -0.02 115.11 121.49 3kus h GLN 558 Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3kus h GLN 558 Cb 1.37 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3kus h GLN 558 CO 0.10 0.68 0.23 0.87 -0.67 0.00 0.00 178.83 180.04 3kus h LYS 559 N 1.05 0.80 -0.79 1.46 1.79 -1.27 -1.01 116.57 118.61 3kus h LYS 559 Ca 0.32 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.67 3kus h LYS 559 Cb -0.04 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.43 3kus h LYS 559 CO -0.10 0.68 0.52 0.37 -1.08 0.00 0.00 179.45 179.84 3kus h GLN 560 N 0.73 1.01 -0.19 3.15 5.75 -1.13 0.70 115.11 125.13 3kus h GLN 560 Ca 0.18 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3kus h GLN 560 Cb 0.17 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3kus h GLN 560 CO -0.02 0.67 0.11 1.98 -2.65 0.00 0.00 178.83 178.92 3kus h MET 561 N 1.04 0.27 -0.52 1.69 4.05 -0.67 -0.87 114.93 119.92 3kus h MET 561 Ca 0.29 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.66 3kus h MET 561 Cb -0.09 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3kus h MET 561 CO -0.07 0.25 0.24 -0.07 0.23 0.00 0.00 176.91 177.48 3kus h LEU 562 N 0.22 0.68 -1.17 3.39 3.38 -1.07 -2.97 115.31 117.76 3kus h LEU 562 Ca 0.07 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kus h LEU 562 Cb 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3kus h LEU 562 CO -0.01 0.63 0.56 1.23 0.09 0.00 0.00 178.44 180.94 3kus h GLY 563 N 0.69 1.20 2.00 0.83 0.00 -0.51 -0.38 103.07 106.90 3kus h GLY 563 Ca 0.18 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3kus h GLY 563 CO -0.02 0.42 -0.24 0.83 0.00 0.00 0.00 176.54 177.52 3kus h GLU 564 N 1.13 0.00 0.11 4.80 4.39 -1.01 0.12 114.58 124.12 3kus h GLU 564 Ca 0.32 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.71 3kus h GLU 564 Cb -0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3kus h GLU 564 CO -0.08 0.24 -1.55 0.00 -1.16 0.00 0.00 179.01 176.46 3kus h ARG 565 N 0.00 0.23 -0.09 2.33 2.47 -1.33 -3.37 114.38 114.62 3kus h ARG 565 Ca -0.00 -0.40 -0.22 0.00 -1.26 0.00 0.00 59.98 58.10 3kus h ARG 565 Cb 0.44 0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3kus h ARG 565 CO 0.03 1.08 -0.83 -0.07 0.56 0.00 0.00 179.97 180.74 3kus h LEU 566 N 0.06 0.77 -0.29 3.04 3.38 -0.87 -3.38 115.31 118.02 3kus h LEU 566 Ca -0.25 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.24 3kus h LEU 566 Cb 2.01 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.48 3kus h LEU 566 CO 0.15 1.32 -0.08 0.15 0.09 0.00 0.00 178.44 180.08 3kus h PHE 567 N 0.41 -0.16 -0.32 1.13 3.57 -0.92 -0.24 116.94 120.41 3kus h PHE 567 Ca -0.06 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kus h PHE 567 Cb 1.45 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 3kus h PHE 567 CO 0.08 -0.13 0.21 -1.35 -2.23 0.00 0.00 178.31 174.89 3kus h PRO 568 N -0.01 0.35 -0.06 6.41 0.11 -1.76 0.32 132.00 137.36 3kus h PRO 568 Ca 0.14 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 3kus h PRO 568 Cb 0.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3kus h PRO 568 CO -0.30 0.23 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.41 3kus h LEU 569 N 0.36 0.31 -0.72 2.35 3.38 -1.50 -1.89 115.31 117.60 3kus h LEU 569 Ca 0.13 -0.64 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 3kus h LEU 569 Cb 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kus h LEU 569 CO -0.03 0.89 -0.07 0.40 0.09 0.00 0.00 178.44 179.72 3kus h ILE 570 N -0.26 1.26 -0.69 1.22 2.04 -0.66 -2.18 117.51 118.23 3kus h ILE 570 Ca -0.01 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 3kus h ILE 570 Cb 0.88 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3kus h ILE 570 CO 0.05 0.41 0.33 -0.61 0.00 0.00 0.00 178.15 178.33 3kus h GLN 571 N 0.82 0.98 -0.71 2.37 4.15 -0.42 0.42 115.11 122.73 3kus h GLN 571 Ca 0.14 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3kus h GLN 571 Cb 0.59 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 3kus h GLN 571 CO 0.04 0.76 0.30 0.00 -1.93 0.00 0.00 178.83 178.00 3kus h ALA 572 N 1.38 0.93 -0.26 3.38 0.00 -0.82 -1.45 119.26 122.42 3kus h ALA 572 Ca 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kus h ALA 572 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kus h ALA 572 CO -0.03 0.53 -0.20 0.52 0.00 0.00 0.00 179.25 180.06 3kus h MET 573 N 1.02 0.60 -2.13 0.00 2.86 -0.85 -3.40 114.93 113.01 3kus h MET 573 Ca 0.24 -0.29 -0.54 0.00 -2.06 0.00 0.00 59.70 57.05 3kus h MET 573 Cb 0.18 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 31.48 3kus h MET 573 CO -0.02 0.88 -0.95 0.72 1.06 0.00 0.00 176.91 178.60 3kus n HIS 574 N -4.38 -1.13 -0.35 -0.22 8.25 0.09 -5.01 115.22 112.46 3kus n HIS 574 Ca -0.04 -3.16 0.11 0.00 -0.26 0.00 0.00 57.72 54.38 3kus n HIS 574 Cb 0.41 0.29 0.30 0.00 1.12 0.00 0.00 29.99 32.10 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 5.25 0.80 0.00 -0.41 0.11 -1.48 -1.74 132.00 134.53 3kus h PRO 575 Ca 0.21 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kus h PRO 575 Cb 0.92 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3kus h PRO 575 CO 0.36 0.53 0.00 0.25 -0.21 0.00 0.00 178.00 178.92 3kus n THR 576 N -4.73 0.58 -0.04 -1.15 -2.24 -1.26 -3.35 114.28 102.08 3kus n THR 576 Ca 0.22 -0.21 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 3kus n THR 576 Cb 0.51 -0.64 0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3kus n THR 576 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kus n LEU 577 N -2.20 2.29 -0.03 3.22 4.77 -0.72 -4.88 117.00 119.45 3kus n LEU 577 Ca 0.05 -1.87 -0.09 0.00 -0.03 0.00 0.00 56.01 54.08 3kus n LEU 577 Cb 0.40 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3kus n LEU 577 CO 0.29 0.56 0.81 0.00 -1.33 0.00 0.00 177.39 177.72 3kus h ALA 578 N 0.93 0.08 -0.35 -1.18 0.00 -1.39 -0.39 119.26 116.95 3kus h ALA 578 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3kus h ALA 578 Cb 0.55 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kus h ALA 578 CO 0.00 -0.51 -0.38 0.78 0.00 0.00 0.00 179.25 179.14 3kus h GLY 579 N -0.05 0.92 0.78 0.00 0.00 -1.89 -1.41 103.07 101.41 3kus h GLY 579 Ca 0.10 -0.92 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3kus h GLY 579 CO -0.22 0.83 -0.09 1.70 0.00 0.00 0.00 176.54 178.77 3kus h LYS 580 N 0.69 0.37 -0.63 4.80 1.63 -1.83 -0.90 116.57 120.69 3kus h LYS 580 Ca 0.06 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 3kus h LYS 580 Cb 0.95 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 3kus h LYS 580 CO 0.09 0.68 0.11 0.82 -3.45 0.00 0.00 179.45 177.69 3kus h ILE 581 N 0.05 1.26 -0.35 2.00 1.08 -1.06 -0.57 117.51 119.92 3kus h ILE 581 Ca 0.04 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 3kus h ILE 581 Cb 0.56 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3kus h ILE 581 CO 0.03 0.38 0.20 0.74 -0.69 0.00 0.00 178.15 178.81 3kus h THR 582 N 0.96 1.04 -0.97 -0.27 2.02 -1.23 -1.04 112.91 113.41 3kus h THR 582 Ca 0.19 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3kus h THR 582 Cb 0.43 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 3kus h THR 582 CO 0.01 0.08 0.64 1.23 0.37 0.00 0.00 175.52 177.84 3kus h GLY 583 N 0.42 1.42 0.97 2.16 0.00 -0.75 -0.18 103.07 107.10 3kus h GLY 583 Ca 0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kus h GLY 583 CO -0.06 0.42 0.10 -0.33 0.00 0.00 0.00 176.54 176.67 3kus h MET 584 N 1.23 0.22 -0.33 4.80 2.07 -0.68 -2.93 114.93 119.33 3kus h MET 584 Ca 0.39 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.94 3kus h MET 584 Cb -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.66 3kus h MET 584 CO -0.12 0.19 -0.04 -0.07 1.07 0.00 0.00 176.91 177.94 3kus h LEU 585 N 0.19 0.49 -1.29 1.22 4.07 -0.75 -2.76 115.31 116.48 3kus h LEU 585 Ca 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3kus h LEU 585 Cb 0.03 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3kus h LEU 585 CO -0.01 0.60 0.00 -0.07 -1.08 0.00 0.00 178.44 177.88 3kus h LEU 586 N 0.49 0.00 -1.13 1.67 3.38 -0.84 -0.86 115.31 118.03 3kus h LEU 586 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kus h LEU 586 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kus h LEU 586 CO 0.02 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 3kus h GLU 587 N 0.00 0.00 -7.28 1.13 5.08 -1.50 -3.46 114.58 108.56 3kus h GLU 587 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3kus h GLU 587 Cb 0.13 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.49 3kus h GLU 587 CO 0.00 0.00 0.34 0.42 -1.00 0.00 0.00 179.01 178.77 3kus s ILE 588 N -3.55 3.39 0.29 3.13 1.01 -0.33 -4.97 121.20 120.17 3kus s ILE 588 Ca 0.03 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 3kus s ILE 588 Cb 0.09 -3.04 -0.13 0.00 0.01 0.00 0.00 42.46 39.38 3kus s ILE 588 CO 0.54 -0.53 1.20 0.47 0.00 0.00 0.00 174.94 176.63 3kus n ASP 589 N -3.07 2.10 -0.09 3.58 8.00 -1.26 -4.83 116.55 120.98 3kus n ASP 589 Ca 0.09 1.18 0.05 0.00 0.71 0.00 0.00 54.79 56.82 3kus n ASP 589 Cb 0.53 -1.38 0.39 0.00 -0.02 0.00 0.00 41.12 40.64 3kus n ASP 589 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3kus h ASN 590 N 2.75 0.57 -0.78 -2.24 -0.26 -1.93 -1.62 115.58 112.07 3kus h ASN 590 Ca -0.43 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.27 3kus h ASN 590 Cb 1.31 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 38.40 3kus h ASN 590 CO 0.65 0.39 0.38 0.77 -1.06 0.00 0.00 177.43 178.56 3kus h SER 591 N 0.66 1.01 -0.22 5.81 4.64 -2.00 0.69 113.55 124.14 3kus h SER 591 Ca 0.23 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 3kus h SER 591 Cb 0.09 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3kus h SER 591 CO -0.06 0.86 -0.32 -0.08 -0.87 0.00 0.00 176.83 176.36 3kus h GLU 592 N 1.09 0.73 -0.54 4.77 4.81 -1.74 -1.93 114.58 121.77 3kus h GLU 592 Ca 0.27 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3kus h GLU 592 Cb 0.11 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3kus h GLU 592 CO -0.03 0.95 0.10 -0.07 -0.73 0.00 0.00 179.01 179.23 3kus h LEU 593 N 0.62 0.84 -0.79 1.64 3.38 -0.73 -0.36 115.31 119.91 3kus h LEU 593 Ca 0.07 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3kus h LEU 593 Cb 0.84 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3kus h LEU 593 CO 0.07 0.87 0.49 -0.07 0.09 0.00 0.00 178.44 179.90 3kus h LEU 594 N 0.77 0.79 -0.55 1.67 3.38 -0.78 -1.03 115.31 119.57 3kus h LEU 594 Ca 0.16 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kus h LEU 594 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3kus h LEU 594 CO 0.01 0.53 0.36 -0.74 0.09 0.00 0.00 178.44 178.69 3kus h HIS 595 N 0.94 0.67 -0.33 1.13 2.76 -0.88 -2.53 115.15 116.91 3kus h HIS 595 Ca 0.33 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.46 3kus h HIS 595 Cb 0.07 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3kus h HIS 595 CO -0.04 0.41 -0.03 0.52 -1.30 0.00 0.00 177.93 177.50 3kus h MET 596 N 0.72 0.52 0.00 5.26 2.86 -0.49 -1.17 114.93 122.63 3kus h MET 596 Ca 0.20 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kus h MET 596 Cb -0.06 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3kus h MET 596 CO -0.05 0.57 -0.05 -0.07 1.06 0.00 0.00 176.91 178.36 3kus h LEU 597 N 0.49 0.00 -0.88 1.22 3.38 -0.77 -2.69 115.31 116.06 3kus h LEU 597 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kus h LEU 597 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kus h LEU 597 CO 0.01 0.05 -0.36 -1.84 0.09 0.00 0.00 178.44 176.39 3kus n GLU 598 N -3.41 1.62 -3.76 1.13 -0.00 -0.64 -4.84 120.64 110.74 3kus n GLU 598 Ca -0.02 -0.81 -0.30 0.00 -0.00 0.00 0.00 57.16 56.03 3kus n GLU 598 Cb 0.18 -1.30 -0.14 0.00 -0.00 0.00 0.00 31.44 30.19 3kus n GLU 598 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kus s SER 599 N -1.99 3.85 0.31 -1.84 0.15 -0.54 -5.00 113.70 108.65 3kus s SER 599 Ca 0.14 -2.44 0.05 0.00 0.70 0.00 0.00 55.95 54.40 3kus s SER 599 Cb 0.14 -1.09 0.68 0.00 -1.71 0.00 0.00 66.02 64.03 3kus s SER 599 CO 0.43 -0.30 1.84 -0.65 1.20 0.00 0.00 173.24 175.76 3kus h PRO 600 N 7.03 0.83 -0.56 5.44 0.11 -1.89 -0.67 132.00 142.30 3kus h PRO 600 Ca -0.04 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3kus h PRO 600 Cb 0.95 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3kus h PRO 600 CO 0.50 0.55 -0.01 0.93 -0.21 0.00 0.00 178.00 179.76 3kus h GLU 601 N 0.85 0.96 -0.46 1.05 4.39 -1.94 -0.12 114.58 119.32 3kus h GLU 601 Ca 0.49 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 3kus h GLU 601 Cb 0.64 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3kus h GLU 601 CO -0.26 0.96 0.07 0.77 -1.16 0.00 0.00 179.01 179.38 3kus h SER 602 N 0.88 0.73 -0.48 1.42 0.02 -1.62 -1.33 113.55 113.18 3kus h SER 602 Ca 0.16 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3kus h SER 602 Cb 0.53 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3kus h SER 602 CO 0.03 0.81 0.21 0.25 -1.14 0.00 0.00 176.83 176.99 3kus h LEU 603 N 0.62 0.64 -0.66 5.07 5.85 -0.99 -2.03 115.31 123.82 3kus h LEU 603 Ca 0.14 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kus h LEU 603 Cb 0.39 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3kus h LEU 603 CO 0.01 0.61 0.40 -0.09 -0.34 0.00 0.00 178.44 179.03 3kus h ARG 604 N 0.63 0.90 -0.54 1.25 9.65 -0.86 0.13 114.38 125.54 3kus h ARG 604 Ca 0.16 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3kus h ARG 604 Cb 0.16 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3kus h ARG 604 CO -0.02 0.64 0.34 0.77 2.80 0.00 0.00 179.97 184.50 3kus h SER 605 N 0.90 0.64 -0.32 -3.80 0.02 -1.08 0.02 113.55 109.94 3kus h SER 605 Ca 0.24 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 3kus h SER 605 Cb -0.03 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 3kus h SER 605 CO -0.04 0.50 -0.33 0.50 -1.14 0.00 0.00 176.83 176.32 3kus h LYS 606 N 0.73 0.78 -0.61 3.45 1.63 -1.03 -1.97 116.57 119.55 3kus h LYS 606 Ca 0.20 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 3kus h LYS 606 Cb -0.04 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3kus h LYS 606 CO -0.04 1.04 0.32 0.28 -3.45 0.00 0.00 179.45 177.61 3kus h VAL 607 N 0.55 1.20 -0.84 2.00 2.07 -0.87 -0.42 116.25 119.94 3kus h VAL 607 Ca 0.05 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3kus h VAL 607 Cb 0.91 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3kus h VAL 607 CO 0.08 0.22 0.53 0.44 0.02 0.00 0.00 177.57 178.87 3kus h ASP 608 N 0.83 0.88 -0.27 0.57 3.32 -0.85 0.11 116.42 121.00 3kus h ASP 608 Ca 0.21 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3kus h ASP 608 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3kus h ASP 608 CO -0.03 0.60 0.08 -0.33 -1.72 0.00 0.00 179.24 177.84 3kus h GLU 609 N 1.03 0.42 -0.74 3.56 5.08 -0.94 -1.80 114.58 121.19 3kus h GLU 609 Ca 0.34 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kus h GLU 609 Cb 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3kus h GLU 609 CO -0.13 0.49 0.48 0.00 -1.00 0.00 0.00 179.01 178.85 3kus h ALA 610 N 0.91 0.94 -0.55 3.43 0.00 -0.49 -0.86 119.26 122.64 3kus h ALA 610 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kus h ALA 610 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kus h ALA 610 CO -0.00 0.37 0.17 0.28 0.00 0.00 0.00 179.25 180.07 3kus h VAL 611 N 1.00 1.24 -0.55 0.00 2.07 -0.71 0.15 116.25 119.44 3kus h VAL 611 Ca 0.27 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3kus h VAL 611 Cb -0.10 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3kus h VAL 611 CO -0.06 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.12 3kus h ALA 612 N 1.04 0.71 -0.15 1.67 0.00 -0.98 -0.43 119.26 121.13 3kus h ALA 612 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kus h ALA 612 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kus h ALA 612 CO -0.01 0.25 -0.02 0.28 0.00 0.00 0.00 179.25 179.76 3kus h VAL 613 N 0.75 1.27 -0.31 0.00 2.07 -0.89 -1.39 116.25 117.74 3kus h VAL 613 Ca 0.19 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kus h VAL 613 Cb 0.08 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3kus h VAL 613 CO -0.03 0.27 0.20 0.25 0.02 0.00 0.00 177.57 178.28 3kus h LEU 614 N -0.01 0.37 -0.59 2.57 5.85 -0.60 -0.81 115.31 122.09 3kus h LEU 614 Ca 0.04 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3kus h LEU 614 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3kus h LEU 614 CO 0.01 0.28 -0.21 1.56 -0.34 0.00 0.00 178.44 179.74 3kus h GLN 615 N 0.42 0.90 -0.47 1.25 4.20 -1.05 -1.01 115.11 119.34 3kus h GLN 615 Ca 0.11 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 3kus h GLN 615 Cb -0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3kus h GLN 615 CO -0.02 1.02 -0.05 0.00 -0.67 0.00 0.00 178.83 179.11 3kus h ALA 616 N 0.97 1.03 -0.03 3.87 0.00 -1.13 0.19 119.26 124.16 3kus h ALA 616 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kus h ALA 616 Cb 0.76 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kus h ALA 616 CO 0.06 0.60 0.01 1.25 0.00 0.00 0.00 179.25 181.16 3kus h HIS 617 N 0.75 0.05 -0.64 0.00 -0.00 -0.83 -0.35 115.15 114.12 3kus h HIS 617 Ca 0.14 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 3kus h HIS 617 Cb 0.52 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 3kus h HIS 617 CO 0.03 0.26 0.17 1.96 -0.00 0.00 0.00 177.93 180.34 3kus h GLN 618 N -0.17 1.03 -0.23 5.26 4.20 -1.07 -1.43 115.11 122.69 3kus h GLN 618 Ca 0.01 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.32 3kus h GLN 618 Cb 0.23 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3kus h GLN 618 CO 0.00 0.92 -0.51 0.00 -0.67 0.00 0.00 178.83 178.57 3kus h ALA 619 N 1.06 0.68 -0.55 3.87 0.00 -0.91 -1.33 119.26 122.08 3kus h ALA 619 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3kus h ALA 619 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kus h ALA 619 CO 0.00 0.68 0.19 -0.22 0.00 0.00 0.00 179.25 179.90 3kus h LYS 620 N 0.50 0.84 -0.45 0.00 3.11 -0.89 -0.17 116.57 119.51 3kus h LYS 620 Ca 0.02 -0.17 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 3kus h LYS 620 Cb 1.06 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 3kus h LYS 620 CO 0.10 0.75 0.11 0.93 -2.81 0.00 0.00 179.45 178.53 3kus h GLU 621 N 0.76 0.73 -0.39 1.90 4.39 -1.11 -0.85 114.58 120.01 3kus h GLU 621 Ca 0.18 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kus h GLU 621 Cb 0.24 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3kus h GLU 621 CO -0.01 0.72 0.26 0.00 -1.16 0.00 0.00 179.01 178.82 3kus h ALA 622 N 0.97 0.50 -0.94 3.43 0.00 -1.11 -2.23 119.26 119.87 3kus h ALA 622 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kus h ALA 622 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3kus h ALA 622 CO 0.00 -0.04 0.56 0.00 0.00 0.00 0.00 179.25 179.77 3kus h ALA 623 N 1.14 1.22 -0.04 0.00 0.00 -0.77 0.19 119.26 121.01 3kus h ALA 623 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kus h ALA 623 Cb -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3kus h ALA 623 CO -0.03 0.66 -0.37 1.96 0.00 0.00 0.00 179.25 181.47 3kus h GLN 624 N 1.30 0.07 0.00 0.00 4.20 -0.94 -3.17 115.11 116.57 3kus h GLN 624 Ca 0.34 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3kus h GLN 624 Cb -0.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3kus h GLN 624 CO -0.06 0.44 -1.52 1.63 -0.67 0.00 0.00 178.83 178.65 3kus n LYS 625 N -4.08 0.58 0.00 1.46 5.02 -0.86 -5.11 118.16 115.18 3kus n LYS 625 Ca -0.02 -0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.24 3kus n LYS 625 Cb 0.42 -1.64 0.14 0.00 -0.02 0.00 0.00 35.03 33.94 3kus n LYS 625 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88