#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 5.12 0.76 1.53 0.20 -1.26 -5.09 118.68 119.94 3kur s LEU 545 Ca 0.00 -1.89 -0.13 0.00 0.69 0.00 0.00 54.13 52.80 3kur s LEU 545 Cb 0.00 -1.84 0.06 0.00 -0.43 0.00 0.00 46.19 43.98 3kur s LEU 545 CO 0.00 -0.52 1.15 0.28 -0.29 0.00 0.00 176.35 176.97 3kur s THR 546 N 1.19 2.63 -0.11 3.68 -1.32 -1.26 -4.98 115.64 115.48 3kur s THR 546 Ca 0.06 0.26 0.15 0.00 -1.21 0.00 0.00 61.69 60.96 3kur s THR 546 Cb -0.23 -2.69 0.07 0.00 -1.51 0.00 0.00 72.50 68.14 3kur s THR 546 CO -0.03 -0.21 1.48 0.00 -2.21 0.00 0.00 174.62 173.64 3kur h ALA 547 N -0.72 0.70 0.00 11.08 0.00 -2.01 -3.34 119.26 124.96 3kur h ALA 547 Ca -0.46 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3kur h ALA 547 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kur h ALA 547 CO 0.49 0.63 -1.03 -1.13 0.00 0.00 0.00 179.25 178.20 3kur n SER 548 N -3.26 0.67 -0.09 0.00 3.41 -1.26 -3.62 113.62 109.46 3kur n SER 548 Ca 0.02 -0.46 0.14 0.00 -0.26 0.00 0.00 58.87 58.30 3kur n SER 548 Cb 0.71 0.90 0.53 0.00 -0.26 0.00 0.00 64.21 66.09 3kur n SER 548 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kur n MET 549 N -1.77 0.50 -0.01 4.33 2.00 -1.26 -2.91 117.12 118.00 3kur n MET 549 Ca 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 57.70 57.43 3kur n MET 549 Cb 0.40 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.04 3kur n MET 549 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3kur h LEU 550 N 0.46 -0.08 -1.68 4.03 5.85 -1.68 -3.37 115.31 118.85 3kur h LEU 550 Ca 0.00 -0.52 0.13 0.00 0.84 0.00 0.00 57.88 58.33 3kur h LEU 550 Cb 0.42 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3kur h LEU 550 CO 0.00 0.61 0.44 0.00 -0.34 0.00 0.00 178.44 179.15 3kur h ALA 551 N -0.25 2.14 0.00 1.25 0.00 -1.61 -1.40 119.26 119.38 3kur h ALA 551 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kur h ALA 551 Cb 0.59 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kur h ALA 551 CO 0.02 -0.30 -0.11 1.03 0.00 0.00 0.00 179.25 179.88 3kur h SER 552 N 0.34 0.00 -2.47 0.00 0.87 -1.68 -3.45 113.55 107.16 3kur h SER 552 Ca 0.31 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.32 3kur h SER 552 Cb 0.75 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 3kur h SER 552 CO -0.08 0.11 -0.57 0.00 -0.53 0.00 0.00 176.83 175.76 3kur s ALA 553 N -4.57 3.49 0.61 6.23 0.00 -0.53 -5.11 121.76 121.89 3kur s ALA 553 Ca -0.04 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.40 3kur s ALA 553 Cb 0.15 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3kur s ALA 553 CO 0.64 0.38 1.10 -2.14 0.00 0.00 0.00 175.76 175.73 3kur s PRO 554 N -3.44 3.08 0.34 0.00 0.02 -1.26 -4.72 135.00 129.03 3kur s PRO 554 Ca 0.31 1.39 0.12 0.00 0.02 0.00 0.00 61.00 62.85 3kur s PRO 554 Cb -0.09 -1.99 0.94 0.00 0.02 0.00 0.00 34.50 33.39 3kur s PRO 554 CO 0.23 -1.03 1.75 -1.35 -0.33 0.00 0.00 177.00 176.27 3kur h PRO 555 N 0.44 0.52 -0.22 5.54 0.11 -1.96 -1.44 132.00 134.99 3kur h PRO 555 Ca -0.48 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 3kur h PRO 555 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kur h PRO 555 CO 0.56 0.35 -0.54 0.37 -0.21 0.00 0.00 178.00 178.52 3kur h GLN 556 N 0.54 0.76 -0.68 1.05 5.75 -2.01 -2.64 115.11 117.88 3kur h GLN 556 Ca 0.62 -0.52 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3kur h GLN 556 Cb 1.29 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.88 3kur h GLN 556 CO -0.41 1.14 0.45 1.49 -2.65 0.00 0.00 178.83 178.85 3kur h GLU 557 N 0.49 0.88 -0.31 1.69 4.81 -1.71 -2.06 114.58 118.37 3kur h GLU 557 Ca -0.00 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3kur h GLU 557 Cb 1.15 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 3kur h GLU 557 CO 0.12 0.58 0.01 1.96 -0.73 0.00 0.00 179.01 180.95 3kur h GLN 558 N 0.90 0.10 -0.35 1.92 4.20 -0.94 -1.21 115.11 119.73 3kur h GLN 558 Ca 0.25 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.00 3kur h GLN 558 Cb -0.07 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3kur h GLN 558 CO -0.06 0.07 0.10 0.87 -0.67 0.00 0.00 178.83 179.13 3kur h LYS 559 N 0.10 0.22 -0.80 1.46 1.79 -1.15 -2.21 116.57 115.98 3kur h LYS 559 Ca 0.15 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.63 3kur h LYS 559 Cb 0.19 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3kur h LYS 559 CO -0.24 0.15 0.53 1.96 -1.08 0.00 0.00 179.45 180.77 3kur h GLN 560 N 0.23 1.00 -0.00 3.15 4.20 -1.00 0.55 115.11 123.24 3kur h GLN 560 Ca 0.16 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3kur h GLN 560 Cb 0.16 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3kur h GLN 560 CO -0.19 0.66 0.00 0.52 -0.67 0.00 0.00 178.83 179.15 3kur h MET 561 N 1.03 0.01 -0.04 1.46 2.86 -0.88 0.65 114.93 120.02 3kur h MET 561 Ca 0.31 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3kur h MET 561 Cb -0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3kur h MET 561 CO -0.08 0.29 0.03 -0.07 1.06 0.00 0.00 176.91 178.14 3kur h LEU 562 N -0.28 0.05 -0.30 1.22 3.38 -0.95 -2.76 115.31 115.66 3kur h LEU 562 Ca 0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3kur h LEU 562 Cb 0.29 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 3kur h LEU 562 CO 0.00 0.08 -0.30 1.23 0.09 0.00 0.00 178.44 179.54 3kur h GLY 563 N 0.02 -0.24 0.14 0.83 0.00 0.23 0.76 103.07 104.80 3kur h GLY 563 Ca 0.02 0.37 0.21 0.00 0.00 0.00 0.00 47.33 47.93 3kur h GLY 563 CO -0.00 -0.21 0.62 -2.09 0.00 0.00 0.00 176.54 174.86 3kur h GLU 564 N -0.27 0.56 0.11 4.80 4.81 -0.73 -0.49 114.58 123.37 3kur h GLU 564 Ca 0.15 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 59.08 3kur h GLU 564 Cb 0.52 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3kur h GLU 564 CO -0.46 0.37 -1.20 0.00 -0.73 0.00 0.00 179.01 177.00 3kur h ARG 565 N 0.58 0.29 -0.01 1.92 -0.00 -0.85 -3.36 114.38 112.95 3kur h ARG 565 Ca 0.55 -0.46 -0.23 0.00 -0.50 0.00 0.00 59.98 59.34 3kur h ARG 565 Cb 1.10 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.24 3kur h ARG 565 CO -0.30 1.20 -0.93 -0.07 0.00 0.00 0.00 179.97 179.88 3kur h LEU 566 N 0.10 0.59 -0.24 3.04 3.38 0.47 -3.38 115.31 119.26 3kur h LEU 566 Ca -0.13 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.45 3kur h LEU 566 Cb 1.91 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.41 3kur h LEU 566 CO 0.20 1.25 -0.26 0.15 0.09 0.00 0.00 178.44 179.87 3kur h PHE 567 N 0.27 -0.70 -0.50 1.13 3.57 -1.29 0.32 116.94 119.73 3kur h PHE 567 Ca -0.08 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3kur h PHE 567 Cb 1.56 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 3kur h PHE 567 CO 0.06 -0.34 -0.04 -1.35 -2.23 0.00 0.00 178.31 174.42 3kur h PRO 568 N -0.27 0.88 0.23 6.41 0.11 -1.78 0.87 132.00 138.44 3kur h PRO 568 Ca 0.14 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3kur h PRO 568 Cb 0.48 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3kur h PRO 568 CO -0.40 0.90 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.99 3kur h LEU 569 N 0.80 -0.60 -1.25 2.35 3.38 -1.46 0.06 115.31 118.59 3kur h LEU 569 Ca 0.14 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3kur h LEU 569 Cb 0.54 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3kur h LEU 569 CO 0.03 -0.33 0.52 0.40 0.09 0.00 0.00 178.44 179.15 3kur h ILE 570 N -0.49 1.15 -0.25 1.22 2.04 0.28 -2.05 117.51 119.41 3kur h ILE 570 Ca -0.00 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3kur h ILE 570 Cb 0.45 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3kur h ILE 570 CO -0.05 0.18 -0.19 -0.61 0.00 0.00 0.00 178.15 177.48 3kur h GLN 571 N 1.00 0.45 -0.46 2.37 4.15 0.12 -0.61 115.11 122.14 3kur h GLN 571 Ca 0.31 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.58 3kur h GLN 571 Cb -0.01 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3kur h GLN 571 CO -0.08 0.63 0.30 0.00 -1.93 0.00 0.00 178.83 177.75 3kur h ALA 572 N 1.39 1.68 0.13 3.38 0.00 -0.26 -1.89 119.26 123.70 3kur h ALA 572 Ca 0.07 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 3kur h ALA 572 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kur h ALA 572 CO 0.04 0.29 -1.31 0.52 0.00 0.00 0.00 179.25 178.79 3kur h MET 573 N 0.61 0.28 -1.61 0.00 2.86 -1.17 -3.43 114.93 112.48 3kur h MET 573 Ca 0.17 -0.48 -0.34 0.00 -2.06 0.00 0.00 59.70 56.99 3kur h MET 573 Cb -0.06 0.18 -0.26 0.00 0.06 0.00 0.00 31.60 31.52 3kur h MET 573 CO -0.04 1.21 -0.69 -1.01 1.06 0.00 0.00 176.91 177.44 3kur s HIS 574 N -2.65 -0.47 0.24 -0.22 3.76 -0.31 -5.03 115.29 110.62 3kur s HIS 574 Ca -0.05 -1.25 -0.05 0.00 -0.15 0.00 0.00 55.06 53.56 3kur s HIS 574 Cb 0.07 -0.22 0.41 0.00 1.11 0.00 0.00 32.58 33.95 3kur s HIS 574 CO 0.88 -1.08 1.75 -1.35 -0.85 0.00 0.00 174.74 174.09 3kur h PRO 575 N 5.49 0.48 0.00 8.40 0.11 -1.59 -2.04 132.00 142.84 3kur h PRO 575 Ca 0.14 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.04 3kur h PRO 575 Cb 1.03 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3kur h PRO 575 CO 0.17 0.32 -0.87 1.79 -0.21 0.00 0.00 178.00 179.20 3kur h THR 576 N 0.49 1.60 -0.25 -1.15 1.35 -1.96 -3.23 112.91 109.76 3kur h THR 576 Ca 0.39 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3kur h THR 576 Cb 0.52 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3kur h THR 576 CO -0.35 0.83 0.00 0.18 -0.25 0.00 0.00 175.52 175.93 3kur n LEU 577 N -3.54 2.36 0.03 3.87 4.32 -0.87 -4.64 117.00 118.53 3kur n LEU 577 Ca -0.01 -1.00 -0.14 0.00 -0.02 0.00 0.00 56.01 54.85 3kur n LEU 577 Cb 0.82 -0.16 -0.07 0.00 -1.62 0.00 0.00 43.42 42.39 3kur n LEU 577 CO 0.46 0.50 0.56 0.00 -1.22 0.00 0.00 177.39 177.69 3kur h ALA 578 N 4.22 -0.72 -0.21 -1.18 0.00 -1.41 -0.94 119.26 119.02 3kur h ALA 578 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kur h ALA 578 Cb 0.68 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 3kur h ALA 578 CO 0.00 -0.99 -0.52 0.78 0.00 0.00 0.00 179.25 178.52 3kur h GLY 579 N -0.57 -1.10 0.25 0.00 0.00 -1.86 -1.09 103.07 98.70 3kur h GLY 579 Ca 0.05 0.70 0.07 0.00 0.00 0.00 0.00 47.33 48.14 3kur h GLY 579 CO -0.36 -0.20 -0.14 0.50 0.00 0.00 0.00 176.54 176.34 3kur h LYS 580 N -0.49 -0.09 -0.45 4.80 1.57 -1.73 -0.95 116.57 119.22 3kur h LYS 580 Ca 0.04 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3kur h LYS 580 Cb 0.62 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3kur h LYS 580 CO -0.46 -0.06 0.18 0.82 -0.57 0.00 0.00 179.45 179.36 3kur h ILE 581 N -0.10 1.20 0.07 1.86 2.04 -1.00 -1.01 117.51 120.58 3kur h ILE 581 Ca 0.16 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3kur h ILE 581 Cb 0.33 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3kur h ILE 581 CO -0.37 0.23 -0.05 0.74 0.00 0.00 0.00 178.15 178.71 3kur h THR 582 N 0.59 0.90 -0.79 -0.27 2.02 -0.98 0.73 112.91 115.10 3kur h THR 582 Ca 0.15 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.52 3kur h THR 582 Cb 0.19 0.90 -0.12 0.00 -1.74 0.00 0.00 68.15 67.37 3kur h THR 582 CO -0.01 0.00 0.17 1.23 0.37 0.00 0.00 175.52 177.28 3kur h GLY 583 N -0.12 1.12 0.78 2.16 0.00 -0.91 -0.35 103.07 105.75 3kur h GLY 583 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3kur h GLY 583 CO 0.00 -0.27 0.01 -0.33 0.00 0.00 0.00 176.54 175.96 3kur h MET 584 N 0.23 0.09 -0.21 4.80 2.86 0.11 -3.07 114.93 119.73 3kur h MET 584 Ca 0.46 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.04 3kur h MET 584 Cb 0.85 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3kur h MET 584 CO -0.58 0.31 -0.06 -0.07 1.06 0.00 0.00 176.91 177.56 3kur h LEU 585 N -0.15 0.30 -1.60 1.22 4.07 -0.42 -1.30 115.31 117.44 3kur h LEU 585 Ca 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3kur h LEU 585 Cb 0.26 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3kur h LEU 585 CO 0.00 0.41 0.04 -0.07 -1.08 0.00 0.00 178.44 177.73 3kur h LEU 586 N 0.31 0.00 0.00 1.67 3.38 -0.97 0.84 115.31 120.54 3kur h LEU 586 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kur h LEU 586 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kur h LEU 586 CO 0.01 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3kur n GLU 587 N -2.36 0.04 -2.66 1.13 -0.58 -0.49 -4.76 120.64 110.95 3kur n GLU 587 Ca -0.02 0.14 -0.34 0.00 -0.42 0.00 0.00 57.16 56.53 3kur n GLU 587 Cb 0.07 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.39 3kur n GLU 587 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3kur s ILE 588 N -2.95 4.04 0.17 -3.67 1.01 0.29 -5.01 121.20 115.08 3kur s ILE 588 Ca 0.11 1.30 -0.32 0.00 0.00 0.00 0.00 60.65 61.74 3kur s ILE 588 Cb 0.13 -3.54 -0.16 0.00 0.01 0.00 0.00 42.46 38.90 3kur s ILE 588 CO 0.37 -0.24 0.97 0.47 0.00 0.00 0.00 174.94 176.51 3kur n ASP 589 N -0.72 0.50 -0.20 3.58 8.00 -1.26 -4.76 116.55 121.69 3kur n ASP 589 Ca 0.08 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3kur n ASP 589 Cb 0.53 -1.12 0.08 0.00 -0.02 0.00 0.00 41.12 40.59 3kur n ASP 589 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3kur h ASN 590 N 2.55 -0.37 -0.37 -2.24 2.35 -1.95 0.65 115.58 116.20 3kur h ASN 590 Ca -0.40 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.58 3kur h ASN 590 Cb 1.38 0.30 -0.09 0.00 0.05 0.00 0.00 38.32 39.96 3kur h ASN 590 CO 0.65 -0.14 -0.37 0.77 -1.65 0.00 0.00 177.43 176.68 3kur h SER 591 N 0.07 -1.23 -0.88 5.81 4.64 -2.00 0.31 113.55 120.27 3kur h SER 591 Ca 0.31 0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.83 3kur h SER 591 Cb 0.49 0.55 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 3kur h SER 591 CO -0.55 -0.35 0.58 -0.33 -0.87 0.00 0.00 176.83 175.31 3kur h GLU 592 N -0.30 1.17 -0.63 4.77 4.39 -1.72 -1.24 114.58 121.01 3kur h GLU 592 Ca 0.15 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3kur h GLU 592 Cb 0.57 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3kur h GLU 592 CO -0.54 0.77 0.36 -0.07 -1.16 0.00 0.00 179.01 178.38 3kur h LEU 593 N 1.20 0.77 -0.23 1.33 3.38 0.85 0.25 115.31 122.86 3kur h LEU 593 Ca 0.32 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3kur h LEU 593 Cb -0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3kur h LEU 593 CO -0.07 0.62 0.10 0.25 0.09 0.00 0.00 178.44 179.43 3kur h LEU 594 N 0.85 0.13 -0.99 1.67 7.12 0.31 -1.00 115.31 123.40 3kur h LEU 594 Ca 0.22 0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.31 3kur h LEU 594 Cb 0.01 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.07 3kur h LEU 594 CO -0.04 0.11 0.64 -0.74 -0.13 0.00 0.00 178.44 178.28 3kur h HIS 595 N 0.22 1.18 0.00 1.25 2.76 -0.83 -1.99 115.15 117.75 3kur h HIS 595 Ca 0.10 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3kur h HIS 595 Cb 0.05 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 3kur h HIS 595 CO -0.11 0.61 -0.19 0.52 -1.30 0.00 0.00 177.93 177.47 3kur h MET 596 N 1.16 0.00 0.00 5.26 2.86 0.76 -1.08 114.93 123.89 3kur h MET 596 Ca 0.43 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.93 3kur h MET 596 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3kur h MET 596 CO -0.17 0.19 -0.63 -0.07 1.06 0.00 0.00 176.91 177.28 3kur h LEU 597 N 0.00 0.00 0.00 1.22 3.38 -0.56 -2.95 115.31 116.40 3kur h LEU 597 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kur h LEU 597 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kur h LEU 597 CO 0.02 0.63 -0.44 -0.62 0.09 0.00 0.00 178.44 178.12 3kur n GLU 598 N -3.54 0.12 -3.68 1.13 1.02 -0.88 -4.69 120.64 110.12 3kur n GLU 598 Ca -0.00 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 3kur n GLU 598 Cb 0.68 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 30.39 3kur n GLU 598 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kur s SER 599 N -3.54 3.58 0.23 1.62 0.15 -0.46 -4.99 113.70 110.29 3kur s SER 599 Ca 0.10 -2.51 -0.07 0.00 0.70 0.00 0.00 55.95 54.17 3kur s SER 599 Cb 0.16 -0.94 0.37 0.00 -1.71 0.00 0.00 66.02 63.90 3kur s SER 599 CO 0.68 -0.28 1.72 -0.65 1.20 0.00 0.00 173.24 175.91 3kur h PRO 600 N 6.85 0.36 0.00 5.44 0.11 -1.84 0.17 132.00 143.10 3kur h PRO 600 Ca -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3kur h PRO 600 Cb 0.94 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kur h PRO 600 CO 0.45 0.24 -0.04 1.49 -0.21 0.00 0.00 178.00 179.93 3kur h GLU 601 N 0.37 0.00 -0.11 1.05 4.81 -1.94 0.62 114.58 119.39 3kur h GLU 601 Ca 0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3kur h GLU 601 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3kur h GLU 601 CO -0.39 0.04 -0.10 0.77 -0.73 0.00 0.00 179.01 178.61 3kur h SER 602 N 0.00 0.27 -0.60 1.04 0.02 -1.04 -2.19 113.55 111.05 3kur h SER 602 Ca -0.00 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 3kur h SER 602 Cb 0.08 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3kur h SER 602 CO 0.01 0.69 0.38 0.25 -1.14 0.00 0.00 176.83 177.01 3kur h LEU 603 N -0.15 0.63 -0.61 5.07 5.85 0.39 -1.58 115.31 124.91 3kur h LEU 603 Ca 0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kur h LEU 603 Cb 0.61 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3kur h LEU 603 CO 0.02 0.44 0.38 -0.09 -0.34 0.00 0.00 178.44 178.86 3kur h ARG 604 N 0.75 0.81 -0.30 1.25 2.43 0.19 -0.64 114.38 118.87 3kur h ARG 604 Ca 0.24 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3kur h ARG 604 Cb -0.01 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 3kur h ARG 604 CO -0.09 0.56 -0.12 0.77 -1.51 0.00 0.00 179.97 179.59 3kur h SER 605 N 0.82 -0.41 -0.81 -3.80 0.02 -0.75 -1.77 113.55 106.85 3kur h SER 605 Ca 0.22 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3kur h SER 605 Cb -0.06 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3kur h SER 605 CO -0.04 -0.15 0.38 0.11 -1.14 0.00 0.00 176.83 175.98 3kur h LYS 606 N -0.07 1.18 0.11 3.45 1.79 -0.77 -1.40 116.57 120.87 3kur h LYS 606 Ca 0.15 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3kur h LYS 606 Cb 0.30 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3kur h LYS 606 CO -0.34 0.92 -0.05 0.28 -1.08 0.00 0.00 179.45 179.17 3kur h VAL 607 N 1.17 0.97 -0.32 0.50 2.07 -0.67 0.51 116.25 120.48 3kur h VAL 607 Ca 0.28 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3kur h VAL 607 Cb 0.14 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3kur h VAL 607 CO -0.03 0.08 -0.06 0.44 0.02 0.00 0.00 177.57 178.02 3kur h ASP 608 N -0.29 -0.25 -1.01 0.57 3.32 -1.12 0.58 116.42 118.22 3kur h ASP 608 Ca -0.02 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3kur h ASP 608 Cb 0.24 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 3kur h ASP 608 CO 0.03 -0.08 0.65 -0.33 -1.72 0.00 0.00 179.24 177.78 3kur h GLU 609 N 0.03 1.15 -0.30 3.56 5.08 -1.15 -0.07 114.58 122.87 3kur h GLU 609 Ca 0.15 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3kur h GLU 609 Cb 0.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3kur h GLU 609 CO -0.31 0.76 -0.42 0.00 -1.00 0.00 0.00 179.01 178.04 3kur h ALA 610 N 1.46 0.70 -0.81 3.43 0.00 0.59 -2.74 119.26 121.89 3kur h ALA 610 Ca 0.44 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kur h ALA 610 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3kur h ALA 610 CO -0.18 0.67 0.53 0.28 0.00 0.00 0.00 179.25 180.55 3kur h VAL 611 N 0.60 1.20 -0.99 0.00 2.07 0.16 -1.02 116.25 118.26 3kur h VAL 611 Ca 0.04 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3kur h VAL 611 Cb 0.97 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3kur h VAL 611 CO 0.09 0.20 0.65 0.00 0.02 0.00 0.00 177.57 178.53 3kur h ALA 612 N 1.30 1.38 -0.91 1.67 0.00 -0.94 -1.05 119.26 120.71 3kur h ALA 612 Ca 0.30 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3kur h ALA 612 Cb -0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.30 3kur h ALA 612 CO -0.07 0.50 0.59 0.28 0.00 0.00 0.00 179.25 180.55 3kur h VAL 613 N 1.22 1.14 -0.03 0.00 2.07 -0.90 -3.00 116.25 116.75 3kur h VAL 613 Ca 0.41 -0.39 -0.25 0.00 0.82 0.00 0.00 66.70 67.30 3kur h VAL 613 Cb 0.08 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3kur h VAL 613 CO -0.14 0.21 -0.96 -0.07 0.02 0.00 0.00 177.57 176.62 3kur h LEU 614 N 1.13 0.82 -8.87 2.57 3.38 -0.87 -3.43 115.31 110.04 3kur h LEU 614 Ca 0.37 -0.63 -0.62 0.00 0.09 0.00 0.00 57.88 57.09 3kur h LEU 614 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kur h LEU 614 CO -0.13 1.43 1.42 0.00 0.09 0.00 0.00 178.44 181.26 3kur n GLN 615 N -3.84 1.70 0.00 1.13 3.00 -0.48 -5.13 117.38 113.76 3kur n GLN 615 Ca -0.09 0.49 0.14 0.00 -0.01 0.00 0.00 57.00 57.53 3kur n GLN 615 Cb 0.84 -2.91 0.86 0.00 0.00 0.00 0.00 30.24 29.04 3kur n GLN 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06