#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 3.84 -0.10 0.55 2.96 -1.26 -5.07 118.68 119.61 2khh s LEU 544 Ca 0.00 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 2khh s LEU 544 Cb 0.00 -3.77 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 2khh s LEU 544 CO 0.00 -0.39 0.42 0.21 -1.32 0.00 0.00 176.35 175.26 2khh s ASN 545 N -3.56 6.66 0.61 3.68 2.47 -1.26 -4.91 114.94 118.63 2khh s ASN 545 Ca 0.47 0.78 0.25 0.00 0.42 0.00 0.00 52.86 54.78 2khh s ASN 545 Cb -0.10 -2.25 0.86 0.00 -1.45 0.00 0.00 41.25 38.30 2khh s ASN 545 CO 0.36 0.11 1.29 -0.65 -3.72 0.00 0.00 177.10 174.49 2khh h PRO 546 N 6.18 0.00 0.10 0.43 0.11 -1.98 0.69 132.00 137.53 2khh h PRO 546 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.72 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 178.74 2khh h VAL 547 N 0.00 0.91 -0.34 3.15 2.07 -1.99 -1.23 116.25 118.83 2khh h VAL 547 Ca 0.45 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2khh h VAL 547 Cb 2.82 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 34.19 2khh h VAL 547 CO -0.00 0.27 0.12 1.56 0.02 0.00 0.00 177.57 179.53 2khh h GLN 548 N -0.91 0.48 0.38 1.57 4.20 -0.18 -0.82 115.11 119.84 2khh h GLN 548 Ca -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2khh h GLN 548 Cb 0.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2khh h GLN 548 CO 0.02 0.42 -0.18 1.25 -0.67 0.00 0.00 178.83 179.67 2khh h LEU 549 N 0.48 -0.43 -1.08 1.46 7.12 -0.65 -0.57 115.31 121.65 2khh h LEU 549 Ca 0.12 -0.07 0.19 0.00 0.13 0.00 0.00 57.88 58.24 2khh h LEU 549 Cb 0.13 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.27 2khh h LEU 549 CO -0.01 -0.19 0.61 -0.33 -0.13 0.00 0.00 178.44 178.40 2khh h GLU 550 N -0.66 0.72 -0.13 1.25 4.39 -0.75 0.27 114.58 119.67 2khh h GLU 550 Ca -0.05 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2khh h GLU 550 Cb 0.48 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2khh h GLU 550 CO 0.09 0.48 0.00 1.25 -1.16 0.00 0.00 179.01 179.67 2khh h LEU 551 N 0.74 -0.04 -0.79 1.33 5.85 -0.61 -0.60 115.31 121.19 2khh h LEU 551 Ca 0.56 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.45 2khh h LEU 551 Cb 0.90 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 2khh h LEU 551 CO -0.34 -0.00 0.36 -0.07 -0.34 0.00 0.00 178.44 178.04 2khh h LEU 552 N 0.05 0.37 0.22 2.25 3.38 0.11 0.79 115.31 122.48 2khh h LEU 552 Ca 0.06 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2khh h LEU 552 Cb 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2khh h LEU 552 CO -0.10 0.14 -0.17 0.78 0.09 0.00 0.00 178.44 179.19 2khh h ASN 553 N 0.51 -0.43 -0.82 -0.43 2.35 -0.11 2.23 115.58 118.87 2khh h ASN 553 Ca 0.44 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.24 2khh h ASN 553 Cb 0.66 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 2khh h ASN 553 CO -0.39 -0.26 0.55 0.11 -1.65 0.00 0.00 177.43 175.78 2khh h LYS 554 N -0.39 1.05 -0.43 0.81 1.79 0.10 0.72 116.57 120.22 2khh h LYS 554 Ca -0.01 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2khh h LYS 554 Cb 0.35 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2khh h LYS 554 CO -0.01 0.69 -0.13 1.25 -1.08 0.00 0.00 179.45 180.17 2khh h LEU 555 N 1.08 0.86 0.00 2.94 5.85 0.16 0.84 115.31 127.04 2khh h LEU 555 Ca 0.31 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2khh h LEU 555 Cb -0.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2khh h LEU 555 CO -0.08 1.04 0.00 1.57 -0.34 0.00 0.00 178.44 180.63 2khh n HIS 556 N -4.26 0.00 0.49 1.25 -0.00 0.74 -0.56 115.22 112.88 2khh n HIS 556 Ca -0.01 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.22 2khh n HIS 556 Cb 0.39 -0.30 -0.05 0.00 -0.12 0.00 0.00 29.99 29.92 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 -1.30 0.66 -0.07 0.27 7.99 0.24 -3.27 117.00 121.53 2khh n LEU 557 Ca 0.13 -0.56 -0.12 0.00 -0.01 0.00 0.00 56.01 55.45 2khh n LEU 557 Cb 0.22 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.48 2khh n LEU 557 CO 0.21 0.15 -0.96 -0.62 -1.51 0.00 0.00 177.39 174.66 2khh n GLU 558 N -1.03 0.32 -0.01 3.23 -0.58 0.29 -4.67 120.64 118.18 2khh n GLU 558 Ca 0.03 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 2khh n GLU 558 Cb 0.18 -1.14 -0.14 0.00 -0.57 0.00 0.00 31.44 29.77 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2khh n THR 559 N -3.24 0.00 -2.09 2.62 5.66 0.27 -4.95 114.28 112.55 2khh n THR 559 Ca -0.26 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 2khh n THR 559 Cb 0.72 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 2khh n THR 559 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2khh n LYS 560 N -1.97 -2.55 -1.38 1.09 5.02 -0.83 -4.62 118.16 112.92 2khh n LYS 560 Ca -0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 2khh n LYS 560 Cb 0.44 -3.78 -0.08 0.00 -0.02 0.00 0.00 35.03 31.59 2khh n LYS 560 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2khh n LEU 561 N -2.02 6.56 -1.73 -0.35 -0.00 -1.26 -3.59 117.00 114.62 2khh n LEU 561 Ca 0.00 -3.92 0.00 0.00 -0.00 0.00 0.00 56.01 52.09 2khh n LEU 561 Cb 0.39 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 2khh n LEU 561 CO 0.00 1.81 -0.39 -3.20 -0.00 0.00 0.00 177.39 175.61 2khh n ASN 562 N 1.88 -7.81 0.00 1.45 5.15 0.28 -3.25 115.26 112.95 2khh n ASN 562 Ca 0.53 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.63 2khh n ASN 562 Cb 0.59 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 2khh n ASN 562 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khh n ALA 563 N 1.30 -0.02 -0.15 5.20 0.00 -1.26 0.29 120.51 125.87 2khh n ALA 563 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2khh n ALA 563 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 2khh n ALA 563 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2khh n GLU 564 N -1.58 -0.13 -0.03 0.00 2.13 -1.26 0.31 120.64 120.08 2khh n GLU 564 Ca 0.00 0.56 -0.12 0.00 0.66 0.00 0.00 57.16 58.26 2khh n GLU 564 Cb 0.00 -0.83 -0.07 0.00 0.27 0.00 0.00 31.44 30.81 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2khh h TYR 565 N 0.00 0.18 -0.90 4.31 -1.99 -1.49 -1.52 116.97 115.56 2khh h TYR 565 Ca 0.09 -0.03 0.24 0.00 2.00 0.00 0.00 58.73 61.03 2khh h TYR 565 Cb 0.18 -0.05 -0.14 0.00 2.00 0.00 0.00 36.73 38.73 2khh h TYR 565 CO -0.36 0.45 0.33 0.00 -0.00 0.00 0.00 178.16 178.59 2khh h THR 566 N -0.14 0.36 -0.35 -2.88 1.03 2.24 1.83 112.91 115.00 2khh h THR 566 Ca 0.02 -0.10 -0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2khh h THR 566 Cb 0.38 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.50 2khh h THR 566 CO 0.01 0.05 0.20 0.15 -0.01 0.00 0.00 175.52 175.92 2khh h PHE 567 N 0.28 0.47 -1.29 0.00 3.04 0.11 0.31 116.94 119.86 2khh h PHE 567 Ca 0.58 -0.01 0.38 0.00 3.98 0.00 0.00 57.97 62.90 2khh h PHE 567 Cb 1.19 -0.15 -0.08 0.00 2.56 0.00 0.00 35.95 39.47 2khh h PHE 567 CO -0.19 0.35 0.89 1.98 -2.02 0.00 0.00 178.31 179.33 2khh h MET 568 N 0.45 0.11 0.06 1.11 4.05 0.38 1.92 114.93 123.00 2khh h MET 568 Ca 0.12 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.28 2khh h MET 568 Cb 0.03 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 2khh h MET 568 CO -0.02 0.07 -1.26 1.25 0.23 0.00 0.00 176.91 177.18 2khh h LEU 569 N 0.11 0.19 -1.82 3.39 6.46 0.17 0.15 115.31 123.96 2khh h LEU 569 Ca 0.67 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 2khh h LEU 569 Cb 2.36 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 42.23 2khh h LEU 569 CO -0.15 1.18 0.00 0.00 -0.62 0.00 0.00 178.44 178.85 2khh h ALA 570 N 0.79 1.00 0.00 1.25 0.00 0.63 0.46 119.26 123.38 2khh h ALA 570 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 2khh h ALA 570 Cb 1.90 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.63 2khh h ALA 570 CO 0.15 0.00 -2.27 -0.85 0.00 0.00 0.00 179.25 176.28 2khh n GLU 571 N -2.96 0.63 0.00 0.00 0.28 0.36 -1.04 120.64 117.91 2khh n GLU 571 Ca -0.00 0.11 0.11 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.22 -1.45 0.50 0.00 1.43 0.00 0.00 31.44 32.14 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 -3.10 0.10 -0.35 3.44 6.02 0.51 -2.39 117.38 121.62 2khh n GLN 572 Ca -0.39 0.10 0.08 0.00 -0.01 0.00 0.00 57.00 56.79 2khh n GLN 572 Cb 0.94 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.95 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 -1.43 3.66 -0.45 1.08 3.41 0.16 -4.93 113.62 115.11 2khh n SER 573 Ca 0.07 -2.23 -0.06 0.00 -0.26 0.00 0.00 58.87 56.39 2khh n SER 573 Cb 0.23 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.73 -4.93 -2.51 4.04 3.02 -1.01 -2.41 115.26 112.20 2khh n ASN 574 Ca 0.19 0.14 -0.21 0.00 -0.03 0.00 0.00 54.58 54.67 2khh n ASN 574 Cb 0.63 -2.94 -0.00 0.00 -0.61 0.00 0.00 39.78 36.85 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 -2.42 -1.18 0.00 3.10 7.02 -0.21 -4.92 117.44 118.83 2khh n TRP 575 Ca -0.06 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2khh n TRP 575 Cb 0.40 -4.04 0.00 0.00 -2.42 0.00 0.00 31.31 25.25 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 -2.10 0.00 0.00 -0.99 4.05 -1.01 -5.04 115.26 110.17 2khh n ASN 576 Ca -0.22 0.47 0.00 0.00 0.45 0.00 0.00 54.58 55.28 2khh n ASN 576 Cb 0.68 -0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.36 2khh n ASN 576 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2khh n TYR 577 N -1.47 0.00 -0.34 1.20 9.36 -1.26 -4.87 117.16 119.78 2khh n TYR 577 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2khh n TYR 577 Cb 0.00 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.93 2khh n TYR 577 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2khh h GLU 578 N 0.00 0.01 -0.27 2.98 4.81 -1.97 2.30 114.58 122.45 2khh h GLU 578 Ca 0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2khh h GLU 578 CO 0.00 0.01 -0.48 -0.24 -0.73 0.00 0.00 179.01 177.57 2khh h VAL 579 N 0.01 1.29 0.05 0.32 3.04 -1.89 -1.51 116.25 117.57 2khh h VAL 579 Ca 0.53 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 2khh h VAL 579 Cb 0.98 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 2khh h VAL 579 CO -0.93 0.54 -0.21 0.00 -1.01 0.00 0.00 177.57 175.96 2khh h ALA 580 N 0.89 -0.73 -0.37 3.17 0.00 0.33 6.24 119.26 128.79 2khh h ALA 580 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2khh h ALA 580 Cb 1.04 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 2khh h ALA 580 CO 0.10 -0.79 -0.27 0.82 0.00 0.00 0.00 179.25 179.12 2khh h ILE 581 N -0.30 0.00 -1.07 0.00 1.08 -0.19 2.57 117.51 119.59 2khh h ILE 581 Ca -0.00 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.75 2khh h ILE 581 Cb 0.30 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.97 2khh h ILE 581 CO -0.12 0.00 0.71 0.50 -0.69 0.00 0.00 178.15 178.55 2khh h LYS 582 N -0.06 0.29 -0.04 2.37 3.64 -0.69 0.19 116.57 122.27 2khh h LYS 582 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2khh h LYS 582 Cb 0.22 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2khh h LYS 582 CO -0.38 0.19 -0.53 0.78 -2.27 0.00 0.00 179.45 177.24 2khh h GLY 583 N 0.30 -1.09 0.16 5.01 0.00 3.08 3.80 103.07 114.33 2khh h GLY 583 Ca 0.59 0.66 0.03 0.00 0.00 0.00 0.00 47.33 48.61 2khh h GLY 583 CO -0.24 -0.22 -0.44 -2.75 0.00 0.00 0.00 176.54 172.88 2khh h PHE 584 N -0.64 -1.26 0.00 5.60 3.57 0.11 1.41 116.94 125.73 2khh h PHE 584 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2khh h PHE 584 Cb 0.71 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2khh h PHE 584 CO -0.53 -0.52 0.00 1.04 -2.23 0.00 0.00 178.31 176.07 2khh n GLN 585 N -5.46 0.03 0.00 1.11 1.13 -0.37 -2.96 117.38 110.86 2khh n GLN 585 Ca -0.06 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2khh n GLN 585 Cb 0.38 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2khh n GLN 585 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2khh n SER 586 N -1.18 0.00 -0.31 1.08 2.88 1.24 -4.61 113.62 112.73 2khh n SER 586 Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2khh n SER 586 Cb 0.01 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.46 2khh n SER 586 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2khh h SER 587 N 0.00 -1.55 -5.58 -3.46 0.87 -1.59 -3.43 113.55 98.80 2khh h SER 587 Ca 0.00 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2khh h SER 587 Cb 0.00 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2khh h SER 587 CO 0.00 -0.30 0.00 0.80 -0.53 0.00 0.00 176.83 176.80 2khh n MET 588 N -5.41 -0.78 0.00 2.24 0.00 -1.16 -4.25 117.12 107.76 2khh n MET 588 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 57.70 57.36 2khh n MET 588 Cb 0.35 0.69 0.00 0.00 0.00 0.00 0.00 33.22 34.27 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 0.69 0.00 0.00 6.12 2.85 -1.26 -4.95 115.26 118.71 2khh n ASN 589 Ca 0.00 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.93 2khh n ASN 589 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2khh n GLY 590 N 0.00 0.00 3.63 8.20 0.00 -1.26 -5.08 105.19 110.68 2khh n GLY 590 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.34 0.10 -1.36 -0.61 -5.35 -1.26 -4.94 119.36 105.59 2khh n ILE 591 Ca 0.00 -0.02 -0.23 0.00 -0.27 0.00 0.00 62.75 62.23 2khh n ILE 591 Cb 0.00 -1.06 0.17 0.00 -1.74 0.00 0.00 39.64 37.01 2khh n ILE 591 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2khh n PRO 592 N 3.47 -1.74 0.10 6.28 -0.04 -1.26 -4.81 135.00 137.00 2khh n PRO 592 Ca 0.20 -1.49 0.13 0.00 -0.04 0.00 0.00 63.50 62.31 2khh n PRO 592 Cb 0.20 -1.15 0.43 0.00 -0.04 0.00 0.00 33.50 32.93 2khh n PRO 592 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2khh n ARG 593 N -3.58 0.24 0.09 0.54 1.74 -1.26 -1.42 116.66 113.01 2khh n ARG 593 Ca 0.12 0.22 -0.19 0.00 -0.77 0.00 0.00 57.85 57.23 2khh n ARG 593 Cb 0.45 -1.79 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 2khh n ARG 593 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2khh h GLU 594 N 0.00 0.35 0.20 5.56 5.08 -1.99 -3.35 114.58 120.43 2khh h GLU 594 Ca 0.00 -0.59 -0.26 0.00 -1.00 0.00 0.00 59.36 57.51 2khh h GLU 594 Cb 0.68 0.22 0.03 0.00 0.50 0.00 0.00 28.75 30.18 2khh h GLU 594 CO 0.00 1.25 -1.13 0.00 -1.00 0.00 0.00 179.01 178.13 2khh h ALA 595 N 0.37 -0.13 -1.80 3.43 0.00 -1.81 -3.41 119.26 115.92 2khh h ALA 595 Ca -0.24 -0.77 -0.66 0.00 0.00 0.00 0.00 54.91 53.23 2khh h ALA 595 Cb 2.06 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 19.82 2khh h ALA 595 CO 0.20 0.52 0.53 0.12 0.00 0.00 0.00 179.25 180.63 2khh s PHE 596 N -2.51 2.88 -1.13 0.00 5.36 -0.51 -0.56 117.98 121.51 2khh s PHE 596 Ca -0.11 -0.89 -0.08 0.00 -0.96 0.00 0.00 56.93 54.88 2khh s PHE 596 Cb 0.02 -4.23 0.27 0.00 -0.34 0.00 0.00 43.02 38.74 2khh s PHE 596 CO 0.89 -1.52 1.32 1.33 -1.46 0.00 0.00 175.22 175.77 2khh n VAL 597 N 5.70 4.74 -0.99 3.12 0.24 -1.24 -4.51 118.33 125.38 2khh n VAL 597 Ca 0.03 -5.39 0.00 0.00 -2.04 0.00 0.00 64.34 56.94 2khh n VAL 597 Cb 0.46 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 2khh n VAL 597 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2khh n GLN 598 N 2.77 -0.13 0.00 7.34 7.27 -1.26 -4.90 117.38 128.48 2khh n GLN 598 Ca 0.27 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.38 2khh n GLN 598 Cb 0.38 -3.06 0.00 0.00 2.41 0.00 0.00 30.24 29.97 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32