#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kut s THR 546 N 0.00 3.66 0.20 1.96 -4.23 -1.26 -5.01 115.64 110.97 3kut s THR 546 Ca 0.00 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3kut s THR 546 Cb 0.00 -3.32 0.14 0.00 1.34 0.00 0.00 72.50 70.66 3kut s THR 546 CO 0.00 -0.19 1.82 0.00 -0.54 0.00 0.00 174.62 175.71 3kut h ALA 547 N 0.48 0.95 -0.46 3.99 0.00 -2.05 -2.69 119.26 119.48 3kut h ALA 547 Ca -0.45 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 3kut h ALA 547 Cb 1.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kut h ALA 547 CO 0.54 0.47 -0.01 1.03 0.00 0.00 0.00 179.25 181.28 3kut h SER 548 N 1.03 0.73 0.50 0.00 0.87 -1.98 -1.32 113.55 113.38 3kut h SER 548 Ca 0.26 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3kut h SER 548 Cb 0.04 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3kut h SER 548 CO -0.04 0.80 -0.30 0.24 -0.53 0.00 0.00 176.83 177.00 3kut h MET 549 N 0.71 -0.73 -0.19 2.24 2.07 -1.89 -2.40 114.93 114.74 3kut h MET 549 Ca 0.14 0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.82 3kut h MET 549 Cb 0.45 0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 3kut h MET 549 CO 0.02 -0.48 0.11 -0.07 1.07 0.00 0.00 176.91 177.55 3kut h LEU 550 N -0.75 0.22 -1.66 1.22 3.38 -1.37 -1.56 115.31 114.79 3kut h LEU 550 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kut h LEU 550 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kut h LEU 550 CO 0.06 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.77 3kut h ALA 551 N 1.86 1.00 -0.12 1.53 0.00 -0.86 -2.76 119.26 119.92 3kut h ALA 551 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kut h ALA 551 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kut h ALA 551 CO -0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.67 3kut n SER 552 N -2.83 1.95 -4.11 0.00 7.64 -0.59 -4.92 113.62 110.76 3kut n SER 552 Ca -0.00 -1.70 -0.20 0.00 1.01 0.00 0.00 58.87 57.98 3kut n SER 552 Cb 0.21 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.20 3kut n SER 552 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kut s ALA 553 N -1.86 1.06 0.83 -0.43 0.00 -1.04 -5.10 121.76 115.21 3kut s ALA 553 Ca 0.35 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 3kut s ALA 553 Cb 0.20 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.21 3kut s ALA 553 CO 0.30 0.21 1.10 -1.25 0.00 0.00 0.00 175.76 176.12 3kut s PRO 554 N -0.83 1.81 0.24 0.00 0.04 -1.26 -4.59 135.00 130.41 3kut s PRO 554 Ca 0.02 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 3kut s PRO 554 Cb -0.07 -1.85 0.34 0.00 0.04 0.00 0.00 34.50 32.97 3kut s PRO 554 CO 0.01 -1.94 1.60 -1.35 0.04 0.00 0.00 177.00 175.35 3kut h PRO 555 N -1.35 0.00 -0.09 0.56 0.11 -1.99 0.51 132.00 129.76 3kut h PRO 555 Ca -0.45 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3kut h PRO 555 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kut h PRO 555 CO 0.51 0.00 -0.28 1.96 -0.21 0.00 0.00 178.00 179.98 3kut h GLN 556 N 0.00 0.17 -0.00 1.05 1.08 -2.00 -1.71 115.11 113.70 3kut h GLN 556 Ca 0.39 -0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 57.33 3kut h GLN 556 Cb 0.59 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3kut h GLN 556 CO -0.82 0.44 -0.86 0.93 -0.95 0.00 0.00 178.83 177.57 3kut h GLU 557 N 0.15 0.22 -0.43 1.46 5.08 -1.48 -1.90 114.58 117.67 3kut h GLU 557 Ca 0.02 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3kut h GLU 557 Cb 0.58 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3kut h GLU 557 CO 0.04 0.95 0.17 1.96 -1.00 0.00 0.00 179.01 181.14 3kut h GLN 558 N 0.12 0.35 -0.69 2.33 4.20 -0.40 0.13 115.11 121.15 3kut h GLN 558 Ca -0.04 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.66 3kut h GLN 558 Cb 1.48 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 3kut h GLN 558 CO 0.13 0.23 0.44 0.87 -0.67 0.00 0.00 178.83 179.84 3kut h LYS 559 N 0.36 0.86 -0.66 1.46 1.79 -1.19 -1.41 116.57 117.79 3kut h LYS 559 Ca 0.20 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3kut h LYS 559 Cb 0.16 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 3kut h LYS 559 CO -0.18 0.57 0.43 0.37 -1.08 0.00 0.00 179.45 179.56 3kut h GLN 560 N 0.89 0.87 -0.46 3.15 5.75 -0.94 0.15 115.11 124.52 3kut h GLN 560 Ca 0.26 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3kut h GLN 560 Cb -0.05 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3kut h GLN 560 CO -0.08 0.59 0.30 0.52 -2.65 0.00 0.00 178.83 177.51 3kut h MET 561 N 0.89 0.59 -0.50 1.69 2.86 -0.52 -0.75 114.93 119.18 3kut h MET 561 Ca 0.24 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3kut h MET 561 Cb -0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 3kut h MET 561 CO -0.05 0.39 0.03 -0.07 1.06 0.00 0.00 176.91 178.27 3kut h LEU 562 N 0.61 0.85 -1.18 1.22 3.38 -0.97 -2.96 115.31 116.25 3kut h LEU 562 Ca 0.17 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kut h LEU 562 Cb -0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3kut h LEU 562 CO -0.05 0.93 0.49 1.23 0.09 0.00 0.00 178.44 181.13 3kut h GLY 563 N 0.74 1.12 1.87 0.83 0.00 -0.33 -1.03 103.07 106.26 3kut h GLY 563 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3kut h GLY 563 CO 0.02 0.43 -0.11 0.83 0.00 0.00 0.00 176.54 177.71 3kut h GLU 564 N 1.07 0.17 0.11 4.80 4.39 -0.97 0.14 114.58 124.29 3kut h GLU 564 Ca 0.28 -0.03 -0.30 0.00 0.34 0.00 0.00 59.36 59.65 3kut h GLU 564 Cb -0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3kut h GLU 564 CO -0.06 0.29 -1.54 0.00 -1.16 0.00 0.00 179.01 176.55 3kut h ARG 565 N 0.16 0.24 -0.19 2.33 2.47 -1.36 -3.37 114.38 114.67 3kut h ARG 565 Ca 0.04 -0.41 -0.19 0.00 -1.26 0.00 0.00 59.98 58.16 3kut h ARG 565 Cb 0.30 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3kut h ARG 565 CO 0.02 1.10 -0.65 -0.07 0.56 0.00 0.00 179.97 180.92 3kut h LEU 566 N 0.07 0.80 -0.32 3.04 3.38 -0.85 -3.38 115.31 118.05 3kut h LEU 566 Ca -0.24 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.30 3kut h LEU 566 Cb 2.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.48 3kut h LEU 566 CO 0.16 1.25 0.02 0.15 0.09 0.00 0.00 178.44 180.11 3kut h PHE 567 N 0.51 0.03 -0.08 1.13 3.57 -0.89 -0.69 116.94 120.52 3kut h PHE 567 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kut h PHE 567 Cb 1.25 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3kut h PHE 567 CO 0.07 -0.03 -0.03 -1.35 -2.23 0.00 0.00 178.31 174.74 3kut h PRO 568 N 0.12 0.11 -0.06 6.41 0.11 -1.77 0.27 132.00 137.19 3kut h PRO 568 Ca 0.15 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 3kut h PRO 568 Cb 0.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3kut h PRO 568 CO -0.23 0.16 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.55 3kut h LEU 569 N 0.11 0.19 -0.80 2.35 3.38 -1.51 -2.16 115.31 116.88 3kut h LEU 569 Ca 0.03 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 3kut h LEU 569 Cb 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kut h LEU 569 CO 0.01 0.69 -0.05 0.40 0.09 0.00 0.00 178.44 179.57 3kut h ILE 570 N -0.30 1.26 -0.83 1.22 2.04 -0.81 -2.45 117.51 117.64 3kut h ILE 570 Ca 0.01 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3kut h ILE 570 Cb 0.64 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3kut h ILE 570 CO 0.02 0.39 0.50 -0.61 0.00 0.00 0.00 178.15 178.45 3kut h GLN 571 N 0.79 1.12 -0.78 2.37 4.15 -0.53 0.62 115.11 122.85 3kut h GLN 571 Ca 0.14 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3kut h GLN 571 Cb 0.54 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 3kut h GLN 571 CO 0.03 0.79 0.45 0.00 -1.93 0.00 0.00 178.83 178.17 3kut h ALA 572 N 1.41 0.99 -0.18 3.38 0.00 -0.94 -1.57 119.26 122.35 3kut h ALA 572 Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3kut h ALA 572 Cb -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3kut h ALA 572 CO -0.06 0.48 -0.18 0.52 0.00 0.00 0.00 179.25 180.01 3kut h MET 573 N 1.07 0.44 -2.14 0.00 2.86 -0.94 -3.40 114.93 112.82 3kut h MET 573 Ca 0.28 -0.23 -0.56 0.00 -2.06 0.00 0.00 59.70 57.13 3kut h MET 573 Cb -0.01 0.01 -0.37 0.00 0.06 0.00 0.00 31.60 31.29 3kut h MET 573 CO -0.05 0.80 -0.99 0.72 1.06 0.00 0.00 176.91 178.45 3kut n HIS 574 N -4.48 -0.93 -0.34 -0.22 8.25 0.14 -5.02 115.22 112.61 3kut n HIS 574 Ca -0.06 -3.27 0.19 0.00 -0.26 0.00 0.00 57.72 54.32 3kut n HIS 574 Cb 0.39 0.15 0.42 0.00 1.12 0.00 0.00 29.99 32.06 3kut n HIS 574 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kut h PRO 575 N 5.05 0.51 0.00 -0.41 0.11 -1.51 -0.99 132.00 134.77 3kut h PRO 575 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kut h PRO 575 Cb 0.91 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3kut h PRO 575 CO 0.38 0.34 -0.11 0.25 -0.21 0.00 0.00 178.00 178.66 3kut n THR 576 N -4.83 0.11 -0.00 -1.15 -2.24 -1.26 -3.65 114.28 101.25 3kut n THR 576 Ca 0.27 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3kut n THR 576 Cb 0.79 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3kut n THR 576 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kut n LEU 577 N -1.64 1.85 -0.00 3.22 4.77 -0.43 -4.88 117.00 119.88 3kut n LEU 577 Ca 0.06 -1.82 -0.09 0.00 -0.03 0.00 0.00 56.01 54.13 3kut n LEU 577 Cb 0.36 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3kut n LEU 577 CO 0.29 0.46 0.75 0.00 -1.33 0.00 0.00 177.39 177.56 3kut h ALA 578 N 0.07 -0.10 -0.53 -1.18 0.00 -1.47 -0.41 119.26 115.64 3kut h ALA 578 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kut h ALA 578 Cb 0.42 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kut h ALA 578 CO 0.00 -0.62 0.03 0.78 0.00 0.00 0.00 179.25 179.43 3kut h GLY 579 N -0.21 0.99 0.73 0.00 0.00 -1.90 -1.01 103.07 101.67 3kut h GLY 579 Ca 0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3kut h GLY 579 CO -0.26 0.65 0.00 1.70 0.00 0.00 0.00 176.54 178.64 3kut h LYS 580 N 0.79 0.07 -0.53 4.80 1.63 -1.82 -1.24 116.57 120.27 3kut h LYS 580 Ca 0.15 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3kut h LYS 580 Cb 0.49 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3kut h LYS 580 CO 0.02 0.34 0.28 0.82 -3.45 0.00 0.00 179.45 177.46 3kut h ILE 581 N -0.21 1.18 -0.63 2.00 2.04 -1.07 -0.98 117.51 119.85 3kut h ILE 581 Ca 0.01 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3kut h ILE 581 Cb 0.30 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3kut h ILE 581 CO 0.00 0.20 0.41 0.74 0.00 0.00 0.00 178.15 179.50 3kut h THR 582 N 0.71 1.14 -0.88 -0.27 2.02 -1.17 -0.78 112.91 113.68 3kut h THR 582 Ca 0.19 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3kut h THR 582 Cb 0.06 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 3kut h THR 582 CO -0.03 0.15 0.58 1.23 0.37 0.00 0.00 175.52 177.82 3kut h GLY 583 N 0.84 1.26 0.92 2.16 0.00 -0.83 -0.43 103.07 107.00 3kut h GLY 583 Ca 0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3kut h GLY 583 CO -0.06 0.42 0.03 -0.33 0.00 0.00 0.00 176.54 176.59 3kut h MET 584 N 1.16 0.06 -0.46 4.80 2.07 -0.66 -2.95 114.93 118.96 3kut h MET 584 Ca 0.34 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.94 3kut h MET 584 Cb -0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.62 3kut h MET 584 CO -0.09 0.12 0.20 -0.07 1.07 0.00 0.00 176.91 178.14 3kut h LEU 585 N -0.01 0.58 -1.24 1.22 4.07 -0.76 -2.75 115.31 116.41 3kut h LEU 585 Ca 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3kut h LEU 585 Cb 0.08 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3kut h LEU 585 CO -0.00 0.51 0.00 0.18 -1.08 0.00 0.00 178.44 178.05 3kut n LEU 586 N -4.38 0.63 0.08 1.67 4.77 -0.20 -1.36 117.00 118.20 3kut n LEU 586 Ca 0.03 0.74 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 3kut n LEU 586 Cb 0.14 -0.76 0.44 0.00 -2.33 0.00 0.00 43.42 40.91 3kut n LEU 586 CO 0.37 -0.84 0.87 -0.62 -1.33 0.00 0.00 177.39 175.84 3kut n GLU 587 N -2.29 0.20 -1.75 3.23 1.02 -1.04 -4.84 120.64 115.17 3kut n GLU 587 Ca -0.00 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 3kut n GLU 587 Cb 0.10 -1.72 0.10 0.00 -0.02 0.00 0.00 31.44 29.90 3kut n GLU 587 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kut s ILE 588 N -3.08 2.25 0.45 -3.67 -4.36 -0.46 -4.98 121.20 107.35 3kut s ILE 588 Ca 0.11 0.08 -0.25 0.00 -0.26 0.00 0.00 60.65 60.33 3kut s ILE 588 Cb 0.14 -2.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.79 3kut s ILE 588 CO 0.59 -0.11 1.44 -0.62 0.24 0.00 0.00 174.94 176.48 3kut s ASP 589 N -4.32 5.86 0.32 4.36 2.15 -1.26 -4.84 116.67 118.94 3kut s ASP 589 Ca 0.62 2.95 0.03 0.00 0.43 0.00 0.00 52.55 56.58 3kut s ASP 589 Cb -0.13 -2.66 0.63 0.00 -0.30 0.00 0.00 42.92 40.47 3kut s ASP 589 CO 0.51 -1.19 1.91 0.78 -0.17 0.00 0.00 175.17 177.01 3kut h ASN 590 N 2.33 0.81 -0.59 -0.34 -0.26 -1.93 -1.89 115.58 113.71 3kut h ASN 590 Ca -0.51 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 55.28 3kut h ASN 590 Cb 1.27 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 38.33 3kut h ASN 590 CO 0.61 0.50 0.35 0.77 -1.06 0.00 0.00 177.43 178.60 3kut h SER 591 N 0.91 0.56 -0.55 5.81 4.64 -1.99 0.40 113.55 123.33 3kut h SER 591 Ca 0.39 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 3kut h SER 591 Cb 0.33 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3kut h SER 591 CO -0.16 0.39 0.21 -0.33 -0.87 0.00 0.00 176.83 176.08 3kut h GLU 592 N 0.69 0.82 -0.60 4.77 5.08 -1.74 -1.81 114.58 121.79 3kut h GLU 592 Ca 0.24 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kut h GLU 592 Cb 0.05 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3kut h GLU 592 CO -0.11 0.72 0.35 -0.07 -1.00 0.00 0.00 179.01 178.90 3kut h LEU 593 N 0.74 0.73 -0.96 1.33 3.38 -0.93 -0.29 115.31 119.31 3kut h LEU 593 Ca 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kut h LEU 593 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3kut h LEU 593 CO -0.01 0.58 0.34 -0.07 0.09 0.00 0.00 178.44 179.37 3kut h LEU 594 N 0.81 0.99 -0.50 1.67 3.38 -0.80 -2.17 115.31 118.69 3kut h LEU 594 Ca 0.21 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3kut h LEU 594 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3kut h LEU 594 CO -0.04 0.85 -0.07 -0.74 0.09 0.00 0.00 178.44 178.53 3kut h HIS 595 N 1.07 1.03 0.00 1.13 2.76 -0.97 -2.78 115.15 117.39 3kut h HIS 595 Ca 0.26 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 3kut h HIS 595 Cb 0.14 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 3kut h HIS 595 CO 0.01 0.98 -0.17 0.52 -1.30 0.00 0.00 177.93 177.98 3kut h MET 596 N 0.79 0.00 0.00 5.26 2.86 -0.74 -0.29 114.93 122.81 3kut h MET 596 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kut h MET 596 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3kut h MET 596 CO 0.04 0.17 0.00 1.28 1.06 0.00 0.00 176.91 179.46 3kut n LEU 597 N -4.28 0.48 -0.01 1.22 4.77 -0.84 -2.70 117.00 115.64 3kut n LEU 597 Ca -0.02 0.61 0.01 0.00 -0.03 0.00 0.00 56.01 56.57 3kut n LEU 597 Cb 0.24 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3kut n LEU 597 CO 0.36 -0.42 0.49 -1.84 -1.33 0.00 0.00 177.39 174.65 3kut n GLU 598 N -2.01 2.70 -3.55 3.23 0.28 -0.33 -4.91 120.64 116.05 3kut n GLU 598 Ca 0.03 -1.50 -0.29 0.00 -0.16 0.00 0.00 57.16 55.24 3kut n GLU 598 Cb 0.24 -1.00 -0.12 0.00 1.43 0.00 0.00 31.44 31.99 3kut n GLU 598 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3kut s SER 599 N -1.05 3.22 0.37 -1.84 0.15 -0.27 -5.01 113.70 109.26 3kut s SER 599 Ca 0.02 -2.29 0.11 0.00 0.70 0.00 0.00 55.95 54.49 3kut s SER 599 Cb 0.02 -0.60 0.89 0.00 -1.71 0.00 0.00 66.02 64.62 3kut s SER 599 CO 0.00 -0.30 1.85 -0.65 1.20 0.00 0.00 173.24 175.34 3kut h PRO 600 N 6.98 0.59 -0.68 5.44 0.11 -1.88 -1.08 132.00 141.48 3kut h PRO 600 Ca 0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3kut h PRO 600 Cb 0.96 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3kut h PRO 600 CO 0.34 0.39 0.31 0.93 -0.21 0.00 0.00 178.00 179.76 3kut h GLU 601 N 0.61 1.00 -0.44 1.05 5.08 -1.95 0.09 114.58 120.02 3kut h GLU 601 Ca 0.48 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3kut h GLU 601 Cb 0.91 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3kut h GLU 601 CO -0.23 0.81 0.18 0.77 -1.00 0.00 0.00 179.01 179.54 3kut h SER 602 N 0.96 0.60 -0.39 1.42 0.02 -1.59 -1.18 113.55 113.39 3kut h SER 602 Ca 0.23 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3kut h SER 602 Cb 0.15 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kut h SER 602 CO -0.03 0.60 0.08 0.25 -1.14 0.00 0.00 176.83 176.59 3kut h LEU 603 N 0.57 0.61 -0.42 5.07 5.85 -1.12 -1.92 115.31 123.94 3kut h LEU 603 Ca 0.15 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3kut h LEU 603 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3kut h LEU 603 CO -0.01 0.70 0.21 -0.09 -0.34 0.00 0.00 178.44 178.90 3kut h ARG 604 N 0.49 0.40 -0.46 1.25 9.65 -0.81 0.48 114.38 125.38 3kut h ARG 604 Ca 0.12 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3kut h ARG 604 Cb 0.34 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3kut h ARG 604 CO 0.00 0.27 0.26 0.77 2.80 0.00 0.00 179.97 184.07 3kut h SER 605 N 0.42 0.57 -0.41 -3.80 0.02 -1.09 0.02 113.55 109.27 3kut h SER 605 Ca 0.18 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 3kut h SER 605 Cb 0.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3kut h SER 605 CO -0.13 0.48 -0.27 0.50 -1.14 0.00 0.00 176.83 176.27 3kut h LYS 606 N 0.61 0.93 -0.52 3.45 1.63 -1.02 -1.43 116.57 120.23 3kut h LYS 606 Ca 0.16 -0.43 -0.06 0.00 -0.85 0.00 0.00 60.65 59.48 3kut h LYS 606 Cb 0.03 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3kut h LYS 606 CO -0.03 1.09 0.08 0.28 -3.45 0.00 0.00 179.45 177.42 3kut h VAL 607 N 0.79 1.25 -0.83 2.00 2.07 -0.74 -0.02 116.25 120.77 3kut h VAL 607 Ca 0.09 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3kut h VAL 607 Cb 0.85 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3kut h VAL 607 CO 0.07 0.34 0.53 0.44 0.02 0.00 0.00 177.57 178.98 3kut h ASP 608 N 0.74 0.90 -0.06 0.57 3.32 -0.77 0.68 116.42 121.79 3kut h ASP 608 Ca 0.16 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kut h ASP 608 Cb 0.41 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kut h ASP 608 CO 0.01 0.63 0.03 -0.08 -1.72 0.00 0.00 179.24 178.11 3kut h GLU 609 N 1.06 0.09 -0.60 3.56 4.81 -0.97 -1.94 114.58 120.59 3kut h GLU 609 Ca 0.32 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 3kut h GLU 609 Cb -0.03 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 3kut h GLU 609 CO -0.10 0.16 0.23 0.00 -0.73 0.00 0.00 179.01 178.57 3kut h ALA 610 N 0.92 0.77 -0.52 2.92 0.00 -0.40 -0.21 119.26 122.74 3kut h ALA 610 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kut h ALA 610 Cb 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kut h ALA 610 CO -0.00 -0.18 0.29 0.28 0.00 0.00 0.00 179.25 179.63 3kut h VAL 611 N 0.41 1.17 -0.44 0.00 2.07 -0.74 0.13 116.25 118.86 3kut h VAL 611 Ca 0.30 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3kut h VAL 611 Cb 0.36 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3kut h VAL 611 CO -0.29 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.47 3kut h ALA 612 N 1.13 0.59 -0.20 1.67 0.00 -0.75 -1.12 119.26 120.58 3kut h ALA 612 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kut h ALA 612 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kut h ALA 612 CO -0.03 0.39 0.05 0.28 0.00 0.00 0.00 179.25 179.94 3kut h VAL 613 N 0.62 1.21 -0.19 0.00 2.07 -0.88 -2.03 116.25 117.05 3kut h VAL 613 Ca 0.12 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3kut h VAL 613 Cb 0.50 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3kut h VAL 613 CO 0.02 0.21 0.12 0.25 0.02 0.00 0.00 177.57 178.20 3kut h LEU 614 N 0.14 0.21 -0.41 2.57 5.85 -0.64 -1.54 115.31 121.49 3kut h LEU 614 Ca 0.06 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kut h LEU 614 Cb 0.27 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3kut h LEU 614 CO 0.00 0.16 0.23 -0.61 -0.34 0.00 0.00 178.44 177.88 3kut h GLN 615 N 0.25 0.46 -0.55 1.25 -0.00 -1.18 -0.74 115.11 114.60 3kut h GLN 615 Ca 0.07 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.61 3kut h GLN 615 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.33 3kut h GLN 615 CO -0.02 0.30 -0.00 0.00 0.00 0.00 0.00 178.83 179.11 3kut h ALA 616 N 1.19 0.96 -0.43 3.38 0.00 -1.21 -1.34 119.26 121.80 3kut h ALA 616 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3kut h ALA 616 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kut h ALA 616 CO -0.09 0.63 -0.20 1.25 0.00 0.00 0.00 179.25 180.85 3kut h HIS 617 N 0.87 1.03 -0.27 0.00 -0.00 -1.00 -2.29 115.15 113.49 3kut h HIS 617 Ca 0.16 -0.25 -0.12 0.00 -0.00 0.00 0.00 60.37 60.16 3kut h HIS 617 Cb 0.52 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 3kut h HIS 617 CO 0.03 1.04 -0.34 1.96 -0.00 0.00 0.00 177.93 180.62 3kut h GLN 618 N 0.73 0.58 -0.41 5.26 4.20 -0.99 -0.95 115.11 123.53 3kut h GLN 618 Ca 0.10 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 3kut h GLN 618 Cb 0.76 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3kut h GLN 618 CO 0.06 0.84 0.13 0.00 -0.67 0.00 0.00 178.83 179.19 3kut h ALA 619 N 1.14 0.54 -0.13 3.87 0.00 -1.19 -1.39 119.26 122.09 3kut h ALA 619 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3kut h ALA 619 Cb 0.82 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kut h ALA 619 CO 0.07 0.18 -0.48 -0.22 0.00 0.00 0.00 179.25 178.80 3kut h LYS 620 N 0.52 0.35 -0.01 0.00 3.11 -1.24 -2.81 116.57 116.49 3kut h LYS 620 Ca 0.13 -0.19 -0.20 0.00 -2.81 0.00 0.00 60.65 57.58 3kut h LYS 620 Cb 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 3kut h LYS 620 CO -0.00 0.75 -0.85 0.93 -2.81 0.00 0.00 179.45 177.46 3kut h GLU 621 N 0.28 0.29 0.00 1.90 4.39 -1.09 -3.09 114.58 117.26 3kut h GLU 621 Ca 0.02 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 3kut h GLU 621 Cb 0.95 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3kut h GLU 621 CO 0.08 0.98 -0.25 0.00 -1.16 0.00 0.00 179.01 178.67 3kut h ALA 622 N 0.92 1.57 -0.00 3.43 0.00 -1.16 -3.51 119.26 120.50 3kut h ALA 622 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kut h ALA 622 Cb 1.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kut h ALA 622 CO 0.14 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.69