#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khh s LEU 544 N 0.00 2.46 -0.11 6.15 2.96 -1.26 -5.13 118.68 123.75 2khh s LEU 544 Ca 0.00 -0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 2khh s LEU 544 Cb 0.00 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2khh s LEU 544 CO 0.00 0.04 0.32 0.21 -1.32 0.00 0.00 176.35 175.60 2khh s ASN 545 N -2.80 6.55 0.60 3.68 2.47 -1.26 -4.92 114.94 119.26 2khh s ASN 545 Ca 0.20 0.65 0.31 0.00 0.42 0.00 0.00 52.86 54.44 2khh s ASN 545 Cb -0.06 -2.20 1.11 0.00 -1.45 0.00 0.00 41.25 38.65 2khh s ASN 545 CO 0.09 0.18 1.40 -0.65 -3.72 0.00 0.00 177.10 174.41 2khh h PRO 546 N 5.97 0.00 0.14 0.43 0.11 -2.00 0.61 132.00 137.26 2khh h PRO 546 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2khh h PRO 546 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2khh h PRO 546 CO 0.70 0.00 -0.07 0.28 -0.21 0.00 0.00 178.00 178.70 2khh h VAL 547 N 0.00 0.91 -0.92 3.15 2.07 -1.99 -1.17 116.25 118.30 2khh h VAL 547 Ca 0.55 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2khh h VAL 547 Cb 2.95 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 34.22 2khh h VAL 547 CO -0.01 0.24 0.57 1.56 0.02 0.00 0.00 177.57 179.96 2khh h GLN 548 N -0.86 1.23 0.14 1.57 4.20 -0.33 -0.81 115.11 120.25 2khh h GLN 548 Ca -0.02 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2khh h GLN 548 Cb 0.54 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2khh h GLN 548 CO 0.03 0.85 -0.24 1.25 -0.67 0.00 0.00 178.83 180.05 2khh h LEU 549 N 1.26 -0.66 -0.94 1.46 7.12 -0.73 0.15 115.31 122.97 2khh h LEU 549 Ca 0.33 0.07 0.16 0.00 0.13 0.00 0.00 57.88 58.58 2khh h LEU 549 Cb -0.08 0.25 -0.10 0.00 -0.53 0.00 0.00 40.66 40.19 2khh h LEU 549 CO -0.07 -0.33 0.54 -0.33 -0.13 0.00 0.00 178.44 178.13 2khh h GLU 550 N -0.45 0.72 -0.23 1.25 5.08 -0.68 0.19 114.58 120.46 2khh h GLU 550 Ca 0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2khh h GLU 550 Cb 0.46 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2khh h GLU 550 CO -0.12 0.48 0.10 1.25 -1.00 0.00 0.00 179.01 179.72 2khh h LEU 551 N 0.74 0.14 -0.87 1.33 5.85 0.31 -0.52 115.31 122.29 2khh h LEU 551 Ca 0.52 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.41 2khh h LEU 551 Cb 0.74 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2khh h LEU 551 CO -0.36 0.11 0.45 -0.07 -0.34 0.00 0.00 178.44 178.24 2khh h LEU 552 N 0.22 0.54 0.04 2.25 3.38 0.20 0.63 115.31 122.57 2khh h LEU 552 Ca 0.10 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2khh h LEU 552 Cb 0.04 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2khh h LEU 552 CO -0.08 0.20 -0.02 0.78 0.09 0.00 0.00 178.44 179.42 2khh h ASN 553 N 0.62 -0.04 -0.29 -0.43 -0.26 0.01 0.80 115.58 115.98 2khh h ASN 553 Ca 0.49 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 56.16 2khh h ASN 553 Cb 0.73 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.98 2khh h ASN 553 CO -0.38 0.04 0.16 0.11 -1.06 0.00 0.00 177.43 176.30 2khh h LYS 554 N -0.12 0.44 -0.11 0.81 1.79 0.34 0.72 116.57 120.44 2khh h LYS 554 Ca -0.01 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.27 2khh h LYS 554 Cb 0.10 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2khh h LYS 554 CO 0.01 0.34 -0.60 1.25 -1.08 0.00 0.00 179.45 179.37 2khh h LEU 555 N 0.45 0.41 -0.21 2.94 5.85 0.11 1.05 115.31 125.90 2khh h LEU 555 Ca 0.12 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2khh h LEU 555 Cb 0.03 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2khh h LEU 555 CO -0.02 0.91 -0.19 1.57 -0.34 0.00 0.00 178.44 180.37 2khh n HIS 556 N -3.90 0.00 0.44 1.25 -0.00 0.27 -0.40 115.22 112.89 2khh n HIS 556 Ca -0.03 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.20 2khh n HIS 556 Cb 0.62 -0.22 -0.05 0.00 -0.12 0.00 0.00 29.99 30.21 2khh n HIS 556 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2khh n LEU 557 N -1.06 0.45 -0.06 0.27 7.99 0.23 -3.14 117.00 121.67 2khh n LEU 557 Ca 0.12 -0.50 -0.12 0.00 -0.01 0.00 0.00 56.01 55.49 2khh n LEU 557 Cb 0.31 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.57 2khh n LEU 557 CO 0.26 0.11 -0.92 1.21 -1.51 0.00 0.00 177.39 176.54 2khh n GLU 558 N -1.22 0.28 0.02 3.23 2.13 0.36 -4.61 120.64 120.82 2khh n GLU 558 Ca 0.02 0.10 0.11 0.00 0.66 0.00 0.00 57.16 58.05 2khh n GLU 558 Cb 0.15 -1.04 -0.04 0.00 0.27 0.00 0.00 31.44 30.78 2khh n GLU 558 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2khh n THR 559 N -3.35 0.14 -3.34 6.31 -2.24 0.47 -4.93 114.28 107.34 2khh n THR 559 Ca -0.24 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 2khh n THR 559 Cb 0.69 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 2khh n THR 559 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2khh n LYS 560 N -1.99 -1.38 -3.45 -0.78 5.02 -0.71 -4.56 118.16 110.30 2khh n LYS 560 Ca 0.01 0.08 -0.44 0.00 -2.02 0.00 0.00 58.31 55.94 2khh n LYS 560 Cb 0.45 -3.74 -0.04 0.00 -0.02 0.00 0.00 35.03 31.68 2khh n LYS 560 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2khh s LEU 561 N -5.36 6.28 0.00 -0.35 0.05 -1.26 -3.31 118.68 114.73 2khh s LEU 561 Ca 0.45 -2.75 0.00 0.00 0.05 0.00 0.00 54.13 51.88 2khh s LEU 561 Cb -0.26 -2.10 0.00 0.00 -2.05 0.00 0.00 46.19 41.78 2khh s LEU 561 CO 0.55 -0.51 0.00 -3.20 -0.55 0.00 0.00 176.35 172.65 2khh n ASN 562 N 3.80 0.00 -0.36 1.48 5.15 0.35 -1.63 115.26 124.06 2khh n ASN 562 Ca 0.12 0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 54.40 2khh n ASN 562 Cb 0.44 -0.62 -0.09 0.00 -0.53 0.00 0.00 39.78 38.98 2khh n ASN 562 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khh h ALA 563 N 2.67 -0.57 -0.91 5.20 0.00 -1.92 1.30 119.26 125.04 2khh h ALA 563 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2khh h ALA 563 Cb 0.00 1.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 2khh h ALA 563 CO 0.00 -0.97 -0.43 0.39 0.00 0.00 0.00 179.25 178.23 2khh n GLU 564 N -5.29 -0.29 -0.02 0.00 1.02 -1.26 0.10 120.64 114.90 2khh n GLU 564 Ca 0.01 1.38 -0.12 0.00 -0.02 0.00 0.00 57.16 58.41 2khh n GLU 564 Cb 0.28 -2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 29.58 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2khh h TYR 565 N 0.00 0.11 -1.18 -0.32 -1.99 -0.90 -1.64 116.97 111.06 2khh h TYR 565 Ca 0.24 -0.02 0.36 0.00 2.00 0.00 0.00 58.73 61.31 2khh h TYR 565 Cb 0.47 -0.03 -0.12 0.00 2.00 0.00 0.00 36.73 39.05 2khh h TYR 565 CO -0.86 0.41 0.75 0.00 -0.00 0.00 0.00 178.16 178.46 2khh h THR 566 N -0.22 0.28 0.07 -2.88 1.03 0.57 1.43 112.91 113.19 2khh h THR 566 Ca 0.01 -0.08 -0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2khh h THR 566 Cb 0.37 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.49 2khh h THR 566 CO 0.00 0.04 -0.03 0.15 -0.01 0.00 0.00 175.52 175.67 2khh h PHE 567 N 0.22 -0.08 -0.92 0.00 3.57 0.12 0.33 116.94 120.17 2khh h PHE 567 Ca 0.73 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.49 2khh h PHE 567 Cb 2.08 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.81 2khh h PHE 567 CO -0.01 0.32 0.88 1.98 -2.23 0.00 0.00 178.31 179.26 2khh h MET 568 N -0.52 0.00 0.06 1.11 4.05 0.27 2.25 114.93 122.16 2khh h MET 568 Ca -0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.12 2khh h MET 568 Cb 0.45 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 2khh h MET 568 CO 0.02 0.00 -1.54 1.25 0.23 0.00 0.00 176.91 176.86 2khh h LEU 569 N 0.00 0.19 -1.72 3.39 6.46 0.51 0.64 115.31 124.78 2khh h LEU 569 Ca 0.44 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2khh h LEU 569 Cb 2.19 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 42.05 2khh h LEU 569 CO -0.00 1.26 0.00 0.00 -0.62 0.00 0.00 178.44 179.08 2khh h ALA 570 N 0.71 1.00 0.00 1.25 0.00 0.75 0.44 119.26 123.41 2khh h ALA 570 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 2khh h ALA 570 Cb 1.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 2khh h ALA 570 CO 0.12 0.00 -2.22 -0.85 0.00 0.00 0.00 179.25 176.31 2khh n GLU 571 N -2.83 0.53 0.00 0.00 0.28 0.15 -1.01 120.64 117.76 2khh n GLU 571 Ca -0.00 0.12 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.20 -1.43 0.49 0.00 1.43 0.00 0.00 31.44 32.13 2khh n GLU 571 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2khh n GLN 572 N -3.13 0.13 -0.35 3.44 6.02 0.21 -2.30 117.38 121.39 2khh n GLN 572 Ca -0.38 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 56.81 2khh n GLN 572 Cb 0.90 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.91 2khh n GLN 572 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2khh n SER 573 N -1.41 3.67 -0.50 1.08 3.41 0.15 -4.93 113.62 115.09 2khh n SER 573 Ca 0.07 -2.27 -0.06 0.00 -0.26 0.00 0.00 58.87 56.35 2khh n SER 573 Cb 0.21 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2khh n SER 573 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2khh n ASN 574 N 0.67 -4.69 -2.52 4.04 3.02 -0.97 -2.64 115.26 112.17 2khh n ASN 574 Ca 0.19 0.16 -0.20 0.00 -0.03 0.00 0.00 54.58 54.70 2khh n ASN 574 Cb 0.64 -2.76 -0.00 0.00 -0.61 0.00 0.00 39.78 37.04 2khh n ASN 574 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2khh n TRP 575 N -2.51 -1.23 0.00 3.10 7.02 -0.18 -4.92 117.44 118.73 2khh n TRP 575 Ca -0.06 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2khh n TRP 575 Cb 0.36 -3.86 0.00 0.00 -2.42 0.00 0.00 31.31 25.40 2khh n TRP 575 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2khh n ASN 576 N -2.07 0.00 0.00 -0.99 2.85 -1.08 -5.05 115.26 108.92 2khh n ASN 576 Ca -0.21 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2khh n ASN 576 Cb 0.66 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2khh n ASN 576 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2khh n TYR 577 N -1.31 0.00 -0.33 1.20 9.36 -1.26 -4.88 117.16 119.94 2khh n TYR 577 Ca 0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 2khh n TYR 577 Cb 0.00 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.91 2khh n TYR 577 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2khh h GLU 578 N 0.00 0.01 -0.33 2.98 5.08 -1.96 2.26 114.58 122.62 2khh h GLU 578 Ca 0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2khh h GLU 578 CO 0.00 0.01 -0.35 -0.24 -1.00 0.00 0.00 179.01 177.43 2khh h VAL 579 N 0.01 1.28 0.06 3.13 3.04 -1.89 -1.60 116.25 120.28 2khh h VAL 579 Ca 0.51 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2khh h VAL 579 Cb 0.91 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 2khh h VAL 579 CO -0.93 0.49 -0.17 0.00 -1.01 0.00 0.00 177.57 175.96 2khh h ALA 580 N 0.97 -0.72 -0.95 3.17 0.00 0.33 5.25 119.26 127.31 2khh h ALA 580 Ca 0.06 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2khh h ALA 580 Cb 0.89 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 2khh h ALA 580 CO 0.08 -0.76 -0.54 -0.89 0.00 0.00 0.00 179.25 177.13 2khh n ILE 581 N -3.39 -0.63 -0.18 0.00 2.08 0.12 0.27 119.36 117.63 2khh n ILE 581 Ca -0.03 2.29 -0.01 0.00 0.56 0.00 0.00 62.75 65.56 2khh n ILE 581 Cb 0.13 -2.85 0.07 0.00 -0.75 0.00 0.00 39.64 36.25 2khh n ILE 581 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2khh h LYS 582 N 0.00 0.11 -0.74 0.38 3.64 -0.36 -0.98 116.57 118.62 2khh h LYS 582 Ca 0.17 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2khh h LYS 582 Cb 0.40 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 2khh h LYS 582 CO -0.90 0.07 -0.54 0.78 -2.27 0.00 0.00 179.45 176.60 2khh h GLY 583 N 0.12 -1.02 0.00 5.01 0.00 2.68 3.61 103.07 113.47 2khh h GLY 583 Ca 0.28 0.80 0.00 0.00 0.00 0.00 0.00 47.33 48.40 2khh h GLY 583 CO -0.46 -0.08 0.00 0.33 0.00 0.00 0.00 176.54 176.33 2khh n PHE 584 N -5.11 0.00 0.43 5.60 7.35 0.32 0.90 117.46 126.96 2khh n PHE 584 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2khh n PHE 584 Cb 0.27 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.66 2khh n PHE 584 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khh n GLN 585 N -2.37 0.32 0.00 -4.13 10.64 -0.53 -2.60 117.38 118.71 2khh n GLN 585 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2khh n GLN 585 Cb 0.00 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 2khh n GLN 585 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2khh n SER 586 N 0.06 0.00 0.17 2.61 2.88 1.19 -4.53 113.62 115.99 2khh n SER 586 Ca 0.00 0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 2khh n SER 586 Cb 0.05 -0.18 0.59 0.00 -0.75 0.00 0.00 64.21 63.92 2khh n SER 586 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2khh h SER 587 N 0.00 0.00 0.00 -3.46 0.02 -1.48 -3.44 113.55 105.19 2khh h SER 587 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2khh h SER 587 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2khh h SER 587 CO 0.00 0.00 0.43 0.80 -1.14 0.00 0.00 176.83 176.92 2khh n MET 588 N -2.34 0.00 0.00 3.45 0.00 -1.07 -3.20 117.12 113.97 2khh n MET 588 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2khh n MET 588 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.07 2khh n MET 588 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2khh n ASN 589 N 1.40 0.00 0.00 6.12 4.05 -1.26 -4.97 115.26 120.60 2khh n ASN 589 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2khh n ASN 589 Cb 0.08 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.09 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2khh n GLY 590 N 0.00 0.00 3.61 8.20 0.00 -1.19 -5.07 105.19 110.74 2khh n GLY 590 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2khh n GLY 590 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2khh n ILE 591 N -1.01 0.06 -1.35 -0.61 -5.35 -1.26 -4.93 119.36 104.91 2khh n ILE 591 Ca 0.00 -0.01 -0.30 0.00 -0.27 0.00 0.00 62.75 62.17 2khh n ILE 591 Cb 0.11 -0.84 0.24 0.00 -1.74 0.00 0.00 39.64 37.40 2khh n ILE 591 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2khh s PRO 592 N 1.11 -0.96 0.28 6.28 0.04 -1.26 -4.80 135.00 135.69 2khh s PRO 592 Ca 0.88 -0.31 0.26 0.00 0.04 0.00 0.00 61.00 61.87 2khh s PRO 592 Cb -1.01 -1.65 0.89 0.00 0.04 0.00 0.00 34.50 32.77 2khh s PRO 592 CO 0.52 -3.50 1.76 0.00 0.04 0.00 0.00 177.00 175.82 2khh h ARG 593 N -2.42 0.00 0.11 4.56 3.08 -1.92 -1.40 114.38 116.40 2khh h ARG 593 Ca -0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.44 2khh h ARG 593 Cb 1.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.32 2khh h ARG 593 CO 0.29 0.00 -0.84 0.93 -1.07 0.00 0.00 179.97 179.29 2khh h GLU 594 N 0.00 0.24 -0.27 0.04 5.08 -2.01 -3.35 114.58 114.32 2khh h GLU 594 Ca 0.00 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2khh h GLU 594 Cb 0.60 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2khh h GLU 594 CO 0.00 1.20 -0.13 0.00 -1.00 0.00 0.00 179.01 179.07 2khh h ALA 595 N 0.03 0.38 -1.95 3.43 0.00 -1.90 -3.39 119.26 115.86 2khh h ALA 595 Ca -0.16 -0.32 -0.71 0.00 0.00 0.00 0.00 54.91 53.72 2khh h ALA 595 Cb 1.57 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 19.07 2khh h ALA 595 CO 0.10 0.26 0.07 -0.59 0.00 0.00 0.00 179.25 179.09 2khh s PHE 596 N -4.59 3.06 -1.06 0.00 -0.12 -0.53 0.13 117.98 114.86 2khh s PHE 596 Ca -0.13 -1.05 -0.11 0.00 -0.05 0.00 0.00 56.93 55.59 2khh s PHE 596 Cb 0.08 -3.98 0.25 0.00 -0.63 0.00 0.00 43.02 38.73 2khh s PHE 596 CO 0.79 -1.25 1.09 0.14 -0.05 0.00 0.00 175.22 175.94 2khh s VAL 597 N 2.44 5.75 0.00 -2.49 -7.23 -1.21 -4.48 120.40 113.18 2khh s VAL 597 Ca 0.10 -3.05 0.00 0.00 -1.81 0.00 0.00 61.98 57.22 2khh s VAL 597 Cb -0.25 -4.63 0.00 0.00 0.56 0.00 0.00 36.38 32.07 2khh s VAL 597 CO 0.05 -1.23 0.00 1.67 -0.31 0.00 0.00 175.10 175.28 2khh n GLN 598 N 3.51 -0.37 0.00 4.82 -0.06 -1.26 -4.86 117.38 119.17 2khh n GLN 598 Ca 0.24 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 2khh n GLN 598 Cb 0.42 -3.36 0.00 0.00 -4.06 0.00 0.00 30.24 23.23 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05