#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kur s LEU 545 N 0.00 4.11 0.39 1.53 0.20 -1.26 -5.07 118.68 118.57 3kur s LEU 545 Ca 0.00 0.44 -0.02 0.00 0.69 0.00 0.00 54.13 55.24 3kur s LEU 545 Cb 0.00 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 3kur s LEU 545 CO 0.00 -0.36 0.63 0.42 -0.29 0.00 0.00 176.35 176.74 3kur s THR 546 N 2.41 5.03 0.36 3.68 -4.23 -1.26 -4.95 115.64 116.68 3kur s THR 546 Ca 0.22 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 3kur s THR 546 Cb -0.15 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.11 3kur s THR 546 CO 0.10 -0.64 2.00 0.00 -0.54 0.00 0.00 174.62 175.55 3kur h ALA 547 N 0.66 1.63 -0.06 3.99 0.00 -1.98 -0.61 119.26 122.88 3kur h ALA 547 Ca -0.49 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 3kur h ALA 547 Cb 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kur h ALA 547 CO 0.62 0.31 -0.57 0.66 0.00 0.00 0.00 179.25 180.27 3kur h SER 548 N 0.77 0.22 -0.12 0.00 4.64 -1.98 -0.52 113.55 116.57 3kur h SER 548 Ca 0.25 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 3kur h SER 548 Cb 0.03 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kur h SER 548 CO -0.06 0.75 0.02 0.24 -0.87 0.00 0.00 176.83 176.90 3kur h MET 549 N 0.15 0.21 0.34 4.77 2.07 -1.59 -2.44 114.93 118.44 3kur h MET 549 Ca -0.00 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3kur h MET 549 Cb 1.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.73 3kur h MET 549 CO 0.09 0.41 -0.43 -0.07 1.07 0.00 0.00 176.91 177.98 3kur h LEU 550 N -0.03 -1.19 -1.99 1.22 3.38 -1.14 -2.95 115.31 112.61 3kur h LEU 550 Ca 0.04 0.11 0.32 0.00 0.09 0.00 0.00 57.88 58.44 3kur h LEU 550 Cb 0.31 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3kur h LEU 550 CO 0.00 -0.56 0.81 0.00 0.09 0.00 0.00 178.44 178.78 3kur h ALA 551 N -0.46 3.05 0.00 1.53 0.00 -1.08 0.32 119.26 122.62 3kur h ALA 551 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kur h ALA 551 Cb 0.75 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kur h ALA 551 CO -0.12 -1.37 -0.37 0.77 0.00 0.00 0.00 179.25 178.16 3kur h SER 552 N 0.01 0.00 -3.71 0.00 0.02 -1.26 -3.45 113.55 105.15 3kur h SER 552 Ca 0.54 -0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.97 3kur h SER 552 Cb 2.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.67 3kur h SER 552 CO -0.01 0.00 0.42 0.00 -1.14 0.00 0.00 176.83 176.10 3kur s ALA 553 N -3.26 3.36 0.22 3.77 0.00 0.11 -4.98 121.76 120.98 3kur s ALA 553 Ca 0.05 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3kur s ALA 553 Cb 0.07 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.75 3kur s ALA 553 CO 0.71 -0.01 0.90 -2.30 0.00 0.00 0.00 175.76 175.06 3kur n PRO 554 N 1.70 0.82 0.30 0.00 -0.02 -1.26 -4.78 135.00 131.75 3kur n PRO 554 Ca -0.00 0.29 0.16 0.00 -2.02 0.00 0.00 63.50 61.92 3kur n PRO 554 Cb 0.46 -1.59 0.92 0.00 -0.02 0.00 0.00 33.50 33.28 3kur n PRO 554 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kur h PRO 555 N 2.09 0.00 0.00 0.52 0.13 -1.92 0.14 132.00 132.97 3kur h PRO 555 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3kur h PRO 555 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3kur h PRO 555 CO 0.62 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 3kur n GLN 556 N -3.64 0.00 0.00 0.86 0.00 -1.26 -3.23 117.38 110.11 3kur n GLN 556 Ca -0.03 0.14 0.10 0.00 0.00 0.00 0.00 57.00 57.21 3kur n GLN 556 Cb 0.12 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.78 3kur n GLN 556 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3kur n GLU 557 N -1.50 0.79 0.28 2.61 1.02 0.49 -4.79 120.64 119.54 3kur n GLU 557 Ca 0.05 -0.28 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 3kur n GLU 557 Cb 0.24 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 3kur n GLU 557 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3kur h GLN 558 N 0.68 -0.68 -0.59 3.49 4.20 -1.50 -1.55 115.11 119.15 3kur h GLN 558 Ca 0.00 0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.87 3kur h GLN 558 Cb 0.53 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.38 3kur h GLN 558 CO 0.00 -0.39 0.10 0.87 -0.67 0.00 0.00 178.83 178.74 3kur h LYS 559 N -0.87 0.22 -0.49 1.46 1.79 -1.87 -0.60 116.57 116.22 3kur h LYS 559 Ca -0.07 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.48 3kur h LYS 559 Cb 0.60 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.12 3kur h LYS 559 CO 0.12 0.15 -0.03 0.37 -1.08 0.00 0.00 179.45 178.97 3kur h GLN 560 N 0.23 0.08 -0.70 3.15 5.75 -1.82 0.38 115.11 122.18 3kur h GLN 560 Ca 0.31 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.88 3kur h GLN 560 Cb 0.47 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.94 3kur h GLN 560 CO -0.42 0.05 0.37 0.52 -2.65 0.00 0.00 178.83 176.70 3kur h MET 561 N 0.08 0.63 -0.15 1.69 2.86 -0.11 0.11 114.93 120.04 3kur h MET 561 Ca 0.24 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3kur h MET 561 Cb 0.37 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kur h MET 561 CO -0.43 0.42 -0.08 -0.07 1.06 0.00 0.00 176.91 177.80 3kur h LEU 562 N 0.65 0.34 -0.91 1.22 3.38 -0.49 -3.09 115.31 116.41 3kur h LEU 562 Ca 0.33 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kur h LEU 562 Cb 0.29 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kur h LEU 562 CO -0.23 0.68 0.59 1.23 0.09 0.00 0.00 178.44 180.81 3kur h GLY 563 N -0.01 1.30 2.00 0.83 0.00 0.62 0.12 103.07 107.93 3kur h GLY 563 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3kur h GLY 563 CO 0.02 0.42 -0.11 0.83 0.00 0.00 0.00 176.54 177.71 3kur h GLU 564 N 1.18 0.00 0.17 4.80 5.08 -0.82 -1.74 114.58 123.25 3kur h GLU 564 Ca 0.35 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.37 3kur h GLU 564 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3kur h GLU 564 CO -0.10 0.11 -1.73 0.00 -1.00 0.00 0.00 179.01 176.29 3kur h ARG 565 N 0.00 0.36 -0.06 2.33 -0.00 -1.17 -3.40 114.38 112.44 3kur h ARG 565 Ca -0.00 -0.61 -0.17 0.00 -0.50 0.00 0.00 59.98 58.70 3kur h ARG 565 Cb 0.27 0.23 0.01 0.00 0.00 0.00 0.00 29.97 30.47 3kur h ARG 565 CO 0.01 1.26 -0.62 -0.07 0.00 0.00 0.00 179.97 180.56 3kur h LEU 566 N 0.10 0.64 0.25 3.04 3.38 -0.83 -3.33 115.31 118.55 3kur h LEU 566 Ca -0.33 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 56.95 3kur h LEU 566 Cb 2.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 3kur h LEU 566 CO 0.17 1.24 -0.47 0.15 0.09 0.00 0.00 178.44 179.62 3kur h PHE 567 N 0.09 -1.32 -0.90 1.13 3.57 -1.52 0.87 116.94 118.86 3kur h PHE 567 Ca -0.06 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.60 3kur h PHE 567 Cb 1.29 0.55 -0.09 0.00 2.79 0.00 0.00 35.95 40.48 3kur h PHE 567 CO 0.12 -0.59 0.51 -1.00 -2.23 0.00 0.00 178.31 175.13 3kur h PRO 568 N -0.79 0.73 -0.53 6.41 0.13 -1.76 0.31 132.00 136.50 3kur h PRO 568 Ca -0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3kur h PRO 568 Cb 0.76 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 3kur h PRO 568 CO -0.19 0.48 0.23 -0.07 -0.23 0.00 0.00 178.00 178.22 3kur h LEU 569 N 0.75 0.68 0.07 1.56 3.38 -1.43 0.15 115.31 120.47 3kur h LEU 569 Ca 0.47 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 58.10 3kur h LEU 569 Cb 0.60 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kur h LEU 569 CO -0.32 0.60 -1.19 0.40 0.09 0.00 0.00 178.44 178.01 3kur h ILE 570 N 0.75 1.46 -0.42 1.22 2.04 0.69 -3.05 117.51 120.20 3kur h ILE 570 Ca 0.18 -2.89 -0.03 0.00 1.00 0.00 0.00 64.86 63.12 3kur h ILE 570 Cb 0.12 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 3kur h ILE 570 CO -0.02 0.85 0.13 -0.61 0.00 0.00 0.00 178.15 178.50 3kur h GLN 571 N 0.11 0.61 -0.55 2.37 4.15 0.17 1.10 115.11 123.08 3kur h GLN 571 Ca -0.13 -0.10 0.06 0.00 0.77 0.00 0.00 58.65 59.25 3kur h GLN 571 Cb 1.90 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 29.43 3kur h GLN 571 CO 0.20 0.54 0.27 0.00 -1.93 0.00 0.00 178.83 177.91 3kur h ALA 572 N 1.54 0.71 0.08 3.38 0.00 -0.63 -3.10 119.26 121.25 3kur h ALA 572 Ca 0.14 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3kur h ALA 572 Cb 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kur h ALA 572 CO -0.01 -0.09 -0.92 0.52 0.00 0.00 0.00 179.25 178.75 3kur h MET 573 N 0.51 0.17 -2.06 0.00 2.86 -1.19 -3.44 114.93 111.78 3kur h MET 573 Ca 0.25 -0.29 -0.51 0.00 -2.06 0.00 0.00 59.70 57.09 3kur h MET 573 Cb 0.19 0.11 -0.40 0.00 0.06 0.00 0.00 31.60 31.55 3kur h MET 573 CO -0.19 1.14 -1.07 0.72 1.06 0.00 0.00 176.91 178.57 3kur n HIS 574 N -4.20 0.91 -0.10 -0.22 -0.00 0.37 -5.02 115.22 106.96 3kur n HIS 574 Ca -0.20 -3.83 0.26 0.00 -0.00 0.00 0.00 57.72 53.95 3kur n HIS 574 Cb 0.76 -0.43 0.72 0.00 -0.00 0.00 0.00 29.99 31.04 3kur n HIS 574 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kur h PRO 575 N 3.18 0.00 0.00 -0.41 0.11 -1.70 -2.06 132.00 131.12 3kur h PRO 575 Ca 0.10 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 3kur h PRO 575 Cb 0.86 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3kur h PRO 575 CO 0.56 0.00 -1.43 0.25 -0.21 0.00 0.00 178.00 177.18 3kur n THR 576 N -4.12 1.19 0.02 -1.15 -2.24 -1.26 -4.02 114.28 102.70 3kur n THR 576 Ca 0.15 -0.69 0.07 0.00 -2.27 0.00 0.00 64.05 61.31 3kur n THR 576 Cb 0.86 -0.74 0.16 0.00 -2.10 0.00 0.00 70.33 68.51 3kur n THR 576 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kur n LEU 577 N -2.89 2.92 -0.31 3.22 4.77 -1.03 -4.63 117.00 119.05 3kur n LEU 577 Ca -0.10 -1.70 0.12 0.00 -0.03 0.00 0.00 56.01 54.31 3kur n LEU 577 Cb 0.84 -0.21 0.30 0.00 -2.33 0.00 0.00 43.42 42.02 3kur n LEU 577 CO 0.43 0.68 1.06 0.00 -1.33 0.00 0.00 177.39 178.24 3kur h ALA 578 N 2.74 1.43 0.57 -1.18 0.00 -1.52 0.44 119.26 121.75 3kur h ALA 578 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kur h ALA 578 Cb 0.75 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kur h ALA 578 CO 0.00 -0.29 -0.27 0.78 0.00 0.00 0.00 179.25 179.47 3kur h GLY 579 N 0.46 -0.79 1.35 0.00 0.00 -1.87 -0.73 103.07 101.49 3kur h GLY 579 Ca 0.55 0.29 -0.07 0.00 0.00 0.00 0.00 47.33 48.11 3kur h GLY 579 CO -0.49 -0.29 0.03 0.50 0.00 0.00 0.00 176.54 176.29 3kur h LYS 580 N -0.79 0.80 -0.27 4.80 1.57 -1.38 -1.39 116.57 119.90 3kur h LYS 580 Ca -0.08 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3kur h LYS 580 Cb 0.59 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3kur h LYS 580 CO 0.13 0.78 0.10 0.82 -0.57 0.00 0.00 179.45 180.70 3kur h ILE 581 N 0.75 1.19 -0.28 1.86 2.04 -0.11 -0.14 117.51 122.82 3kur h ILE 581 Ca 0.15 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3kur h ILE 581 Cb 0.41 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3kur h ILE 581 CO 0.01 0.20 0.08 0.74 0.00 0.00 0.00 178.15 179.18 3kur h THR 582 N 0.28 1.20 -0.45 -0.27 2.02 -0.95 0.21 112.91 114.96 3kur h THR 582 Ca 0.09 -0.65 0.09 0.00 0.77 0.00 0.00 66.41 66.71 3kur h THR 582 Cb 0.21 1.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 3kur h THR 582 CO -0.00 0.22 -0.19 1.23 0.37 0.00 0.00 175.52 177.15 3kur h GLY 583 N 0.28 0.16 0.94 2.16 0.00 -1.11 0.93 103.07 106.43 3kur h GLY 583 Ca 0.09 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 3kur h GLY 583 CO -0.00 -0.20 -0.01 -0.33 0.00 0.00 0.00 176.54 176.00 3kur h MET 584 N -0.09 -0.02 -0.54 4.80 2.07 -0.34 -3.04 114.93 117.78 3kur h MET 584 Ca 0.21 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 3kur h MET 584 Cb 0.42 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 3kur h MET 584 CO -0.51 0.05 0.25 -0.07 1.07 0.00 0.00 176.91 177.71 3kur h LEU 585 N -0.08 0.68 -0.63 1.22 4.07 0.06 -2.08 115.31 118.55 3kur h LEU 585 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3kur h LEU 585 Cb 0.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3kur h LEU 585 CO 0.00 0.59 0.01 0.18 -1.08 0.00 0.00 178.44 178.14 3kur n LEU 586 N -4.37 0.25 0.20 1.67 4.77 0.26 -0.08 117.00 119.69 3kur n LEU 586 Ca 0.05 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 3kur n LEU 586 Cb 0.13 -0.64 0.36 0.00 -2.33 0.00 0.00 43.42 40.94 3kur n LEU 586 CO 0.38 -0.70 0.71 -0.08 -1.33 0.00 0.00 177.39 176.37 3kur h GLU 587 N 0.00 0.00 -7.25 3.23 4.57 -1.47 -3.45 114.58 110.20 3kur h GLU 587 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3kur h GLU 587 Cb 0.02 0.00 0.14 0.00 -0.16 0.00 0.00 28.75 28.75 3kur h GLU 587 CO 0.00 0.33 0.33 0.42 -1.18 0.00 0.00 179.01 178.90 3kur s ILE 588 N -3.59 2.92 0.67 2.32 1.01 0.88 -4.98 121.20 120.44 3kur s ILE 588 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 3kur s ILE 588 Cb 0.10 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3kur s ILE 588 CO 0.67 -0.34 1.28 -1.81 0.00 0.00 0.00 174.94 174.75 3kur s ASP 589 N -2.84 4.44 0.33 3.58 1.01 -1.26 -4.83 116.67 117.11 3kur s ASP 589 Ca 0.66 2.59 0.03 0.00 0.71 0.00 0.00 52.55 56.53 3kur s ASP 589 Cb -0.21 -2.61 0.58 0.00 1.01 0.00 0.00 42.92 41.69 3kur s ASP 589 CO 0.51 -2.11 1.92 0.78 0.21 0.00 0.00 175.17 176.47 3kur h ASN 590 N 0.33 0.63 0.69 0.27 2.35 -1.93 -1.66 115.58 116.25 3kur h ASN 590 Ca -0.50 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 54.98 3kur h ASN 590 Cb 1.33 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 3kur h ASN 590 CO 0.52 0.58 -0.88 0.77 -1.65 0.00 0.00 177.43 176.77 3kur h SER 591 N 0.68 0.16 0.22 5.81 4.64 -1.99 0.15 113.55 123.22 3kur h SER 591 Ca 0.16 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 3kur h SER 591 Cb 0.17 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3kur h SER 591 CO -0.01 0.96 -0.38 -0.08 -0.87 0.00 0.00 176.83 176.44 3kur h GLU 592 N 0.06 0.22 -0.32 4.77 4.57 -1.85 -2.14 114.58 119.89 3kur h GLU 592 Ca -0.03 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.95 3kur h GLU 592 Cb 1.52 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 3kur h GLU 592 CO 0.13 0.57 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.29 3kur h LEU 593 N 0.19 0.71 -1.45 1.64 4.07 -0.72 0.07 115.31 119.81 3kur h LEU 593 Ca 0.02 -0.41 0.09 0.00 0.08 0.00 0.00 57.88 57.65 3kur h LEU 593 Cb 0.76 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.26 3kur h LEU 593 CO 0.06 0.97 0.47 -0.07 -1.08 0.00 0.00 178.44 178.78 3kur h LEU 594 N 0.45 0.57 -0.14 1.67 3.38 -0.66 -1.68 115.31 118.89 3kur h LEU 594 Ca 0.07 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3kur h LEU 594 Cb 0.71 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kur h LEU 594 CO 0.05 0.35 -0.16 -0.74 0.09 0.00 0.00 178.44 178.02 3kur h HIS 595 N 0.63 0.44 -0.10 1.13 2.76 -0.76 -2.39 115.15 116.86 3kur h HIS 595 Ca 0.32 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3kur h HIS 595 Cb 0.42 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3kur h HIS 595 CO -0.00 0.77 0.23 0.52 -1.30 0.00 0.00 177.93 178.15 3kur h MET 596 N -0.02 0.00 0.00 5.26 2.86 -0.44 -0.31 114.93 122.29 3kur h MET 596 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kur h MET 596 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3kur h MET 596 CO 0.04 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.29 3kur n LEU 597 N -3.32 0.76 -0.12 1.22 4.77 -0.69 -3.97 117.00 115.65 3kur n LEU 597 Ca -0.00 0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 3kur n LEU 597 Cb 0.32 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 3kur n LEU 597 CO 0.21 -0.33 -1.30 -1.84 -1.33 0.00 0.00 177.39 172.79 3kur n GLU 598 N -2.26 0.53 -2.54 3.23 0.00 -0.16 -4.92 120.64 114.52 3kur n GLU 598 Ca 0.04 0.20 -0.41 0.00 0.00 0.00 0.00 57.16 56.98 3kur n GLU 598 Cb 0.35 -1.39 -0.03 0.00 0.00 0.00 0.00 31.44 30.38 3kur n GLU 598 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3kur s SER 599 N -6.87 6.24 0.41 -1.84 0.01 -1.02 -4.85 113.70 105.78 3kur s SER 599 Ca -0.33 -0.22 0.10 0.00 1.31 0.00 0.00 55.95 56.82 3kur s SER 599 Cb 0.11 -2.56 0.88 0.00 0.21 0.00 0.00 66.02 64.67 3kur s SER 599 CO 0.45 -1.73 1.98 -0.65 0.41 0.00 0.00 173.24 173.71 3kur h PRO 600 N 10.00 0.24 -0.86 12.44 0.11 -1.91 0.25 132.00 152.27 3kur h PRO 600 Ca -0.27 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3kur h PRO 600 Cb 1.06 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3kur h PRO 600 CO 1.24 0.31 0.43 0.93 -0.21 0.00 0.00 178.00 180.70 3kur h GLU 601 N 0.24 1.24 -0.14 1.05 4.39 -1.94 1.19 114.58 120.60 3kur h GLU 601 Ca 0.05 -0.17 -0.22 0.00 0.34 0.00 0.00 59.36 59.36 3kur h GLU 601 Cb 0.24 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3kur h GLU 601 CO 0.01 0.94 -0.78 0.66 -1.16 0.00 0.00 179.01 178.68 3kur h SER 602 N 1.23 0.88 -0.53 1.42 4.64 -1.80 -0.31 113.55 119.07 3kur h SER 602 Ca 0.30 -0.58 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3kur h SER 602 Cb 0.10 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 3kur h SER 602 CO -0.04 1.37 0.23 0.25 -0.87 0.00 0.00 176.83 177.77 3kur h LEU 603 N 0.50 0.29 -0.38 5.97 5.85 -0.16 -0.02 115.31 127.36 3kur h LEU 603 Ca -0.05 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kur h LEU 603 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3kur h LEU 603 CO 0.16 0.20 0.11 -0.09 -0.34 0.00 0.00 178.44 178.47 3kur h ARG 604 N 0.45 0.61 -0.24 1.25 2.43 0.16 0.37 114.38 119.41 3kur h ARG 604 Ca 0.25 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 3kur h ARG 604 Cb 0.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3kur h ARG 604 CO -0.22 0.63 -0.36 0.66 -1.51 0.00 0.00 179.97 179.17 3kur h SER 605 N 0.47 0.55 -0.54 -3.80 4.64 -0.87 0.21 113.55 114.22 3kur h SER 605 Ca 0.12 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 3kur h SER 605 Cb 0.28 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3kur h SER 605 CO -0.00 0.86 0.13 0.11 -0.87 0.00 0.00 176.83 177.06 3kur h LYS 606 N 0.45 0.91 -0.52 4.77 6.56 -0.56 -2.57 116.57 125.61 3kur h LYS 606 Ca 0.05 -0.20 -0.07 0.00 -1.06 0.00 0.00 60.65 59.36 3kur h LYS 606 Cb 0.83 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.34 3kur h LYS 606 CO 0.07 0.82 0.03 0.28 -2.06 0.00 0.00 179.45 178.60 3kur h VAL 607 N 0.87 1.26 -0.64 0.50 2.07 0.89 -2.51 116.25 118.70 3kur h VAL 607 Ca 0.19 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kur h VAL 607 Cb 0.34 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3kur h VAL 607 CO 0.00 0.37 0.38 0.44 0.02 0.00 0.00 177.57 178.79 3kur h ASP 608 N 0.77 0.77 0.62 0.57 3.32 -0.44 -0.56 116.42 121.46 3kur h ASP 608 Ca 0.15 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.94 3kur h ASP 608 Cb 0.48 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3kur h ASP 608 CO 0.02 0.60 -0.90 1.05 -1.72 0.00 0.00 179.24 178.29 3kur h GLU 609 N 0.86 0.18 -0.91 3.56 4.11 -1.47 -0.95 114.58 119.98 3kur h GLU 609 Ca 0.23 -0.21 0.11 0.00 0.07 0.00 0.00 59.36 59.56 3kur h GLU 609 Cb -0.03 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3kur h GLU 609 CO -0.04 0.96 0.54 0.00 0.07 0.00 0.00 179.01 180.54 3kur h ALA 610 N 0.97 1.33 -0.06 1.06 0.00 -1.19 -0.32 119.26 121.05 3kur h ALA 610 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kur h ALA 610 Cb 1.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3kur h ALA 610 CO 0.14 0.14 -0.35 0.28 0.00 0.00 0.00 179.25 179.45 3kur h VAL 611 N 0.87 1.27 -0.04 0.00 2.07 -0.43 -1.96 116.25 118.03 3kur h VAL 611 Ca 0.45 -1.30 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 3kur h VAL 611 Cb 0.44 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3kur h VAL 611 CO -0.27 0.38 -0.53 0.00 0.02 0.00 0.00 177.57 177.18 3kur h ALA 612 N 1.54 1.04 -0.37 1.67 0.00 0.16 -2.12 119.26 121.19 3kur h ALA 612 Ca 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3kur h ALA 612 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kur h ALA 612 CO 0.05 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.31 3kur h VAL 613 N 0.09 1.24 0.00 0.00 2.07 -0.49 -2.72 116.25 116.45 3kur h VAL 613 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kur h VAL 613 Cb 0.96 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3kur h VAL 613 CO 0.07 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.89 3kur h LEU 614 N 0.46 0.00 0.00 2.57 3.38 -1.00 -3.52 115.31 117.21 3kur h LEU 614 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kur h LEU 614 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kur h LEU 614 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54