#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 -0.13 -0.10 6.15 2.96 -1.26 -5.14 118.68 121.16 2khh s LEU 544 Ca 0.00 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.89 2khh s LEU 544 Cb 0.00 2.19 -0.05 0.00 0.50 0.00 0.00 46.19 48.83 2khh s LEU 544 CO 0.00 -0.77 0.32 0.21 -1.32 0.00 0.00 176.35 174.79 2khh s ASN 545 N -2.16 6.56 0.60 3.68 2.47 -1.26 -4.92 114.94 119.91 2khh s ASN 545 Ca -0.04 0.66 0.29 0.00 0.42 0.00 0.00 52.86 54.20 2khh s ASN 545 Cb -0.00 -2.19 1.06 0.00 -1.45 0.00 0.00 41.25 38.66 2khh s ASN 545 CO -0.04 0.20 1.40 -0.65 -3.72 0.00 0.00 177.10 174.30 2khh h PRO 546 N 5.85 0.00 0.07 0.43 0.11 -2.01 0.64 132.00 137.08 2khh h PRO 546 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.69 0.00 -0.03 0.28 -0.21 0.00 0.00 178.00 178.72 2khh h VAL 547 N 0.00 1.19 -0.79 3.15 2.07 -1.99 -1.20 116.25 118.68 2khh h VAL 547 Ca 0.49 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2khh h VAL 547 Cb 2.77 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 34.55 2khh h VAL 547 CO -0.01 0.33 0.36 1.56 0.02 0.00 0.00 177.57 179.83 2khh h GLN 548 N -0.80 1.14 0.34 1.57 4.20 -0.27 -0.72 115.11 120.57 2khh h GLN 548 Ca -0.01 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2khh h GLN 548 Cb 0.61 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2khh h GLN 548 CO 0.02 0.89 -0.29 1.25 -0.67 0.00 0.00 178.83 180.03 2khh h LEU 549 N 1.13 -0.75 -0.99 1.46 7.12 -0.72 0.94 115.31 123.49 2khh h LEU 549 Ca 0.27 0.06 0.17 0.00 0.13 0.00 0.00 57.88 58.51 2khh h LEU 549 Cb 0.14 0.25 -0.10 0.00 -0.53 0.00 0.00 40.66 40.42 2khh h LEU 549 CO -0.03 -0.42 0.60 -0.33 -0.13 0.00 0.00 178.44 178.13 2khh h GLU 550 N -0.63 0.78 -0.15 1.25 5.08 -0.87 0.21 114.58 120.26 2khh h GLU 550 Ca -0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2khh h GLU 550 Cb 0.56 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2khh h GLU 550 CO -0.03 0.52 0.00 1.25 -1.00 0.00 0.00 179.01 179.76 2khh h LEU 551 N 0.81 -0.04 -0.78 1.33 5.85 0.07 0.11 115.31 122.65 2khh h LEU 551 Ca 0.55 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.46 2khh h LEU 551 Cb 0.79 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 2khh h LEU 551 CO -0.36 -0.00 0.29 -0.07 -0.34 0.00 0.00 178.44 177.96 2khh h LEU 552 N 0.06 0.23 -0.02 2.25 3.38 0.18 0.87 115.31 122.26 2khh h LEU 552 Ca 0.07 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2khh h LEU 552 Cb 0.08 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2khh h LEU 552 CO -0.11 0.05 0.01 0.78 0.09 0.00 0.00 178.44 179.26 2khh h ASN 553 N 0.40 0.03 -0.38 -0.43 -0.26 -0.15 0.86 115.58 115.64 2khh h ASN 553 Ca 0.44 -0.13 0.03 0.00 -0.56 0.00 0.00 56.30 56.08 2khh h ASN 553 Cb 0.72 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 2khh h ASN 553 CO -0.45 0.15 0.26 0.11 -1.06 0.00 0.00 177.43 176.44 2khh h LYS 554 N -0.10 0.38 -0.14 0.81 1.79 0.80 0.71 116.57 120.81 2khh h LYS 554 Ca 0.01 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 2khh h LYS 554 Cb 0.13 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2khh h LYS 554 CO -0.00 0.25 -0.68 1.25 -1.08 0.00 0.00 179.45 179.19 2khh h LEU 555 N 0.39 0.68 -0.11 2.94 5.85 0.17 0.68 115.31 125.90 2khh h LEU 555 Ca 0.16 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2khh h LEU 555 Cb 0.14 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2khh h LEU 555 CO -0.04 1.17 -0.05 1.57 -0.34 0.00 0.00 178.44 180.75 2khh n HIS 556 N -3.91 0.00 0.27 1.25 -0.00 0.29 -0.20 115.22 112.92 2khh n HIS 556 Ca -0.05 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.18 2khh n HIS 556 Cb 0.68 -0.20 -0.07 0.00 -0.12 0.00 0.00 29.99 30.28 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 -1.09 0.27 -0.09 0.27 7.99 0.22 -3.19 117.00 121.39 2khh n LEU 557 Ca 0.16 -0.28 -0.18 0.00 -0.01 0.00 0.00 56.01 55.70 2khh n LEU 557 Cb 0.24 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.48 2khh n LEU 557 CO 0.23 0.07 -1.11 -0.62 -1.51 0.00 0.00 177.39 174.44 2khh n GLU 558 N -1.53 0.39 0.04 3.23 -0.58 0.23 -4.58 120.64 117.85 2khh n GLU 558 Ca 0.00 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 57.01 2khh n GLU 558 Cb 0.22 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 2khh n GLU 558 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2khh n THR 559 N -3.66 0.28 -4.09 2.62 -2.24 0.72 -4.93 114.28 102.98 2khh n THR 559 Ca -0.35 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 2khh n THR 559 Cb 0.77 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.26 -0.87 -3.59 -0.78 5.02 -0.66 -4.66 118.16 110.36 2khh n LYS 560 Ca 0.00 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 2khh n LYS 560 Cb 0.50 -4.19 -0.08 0.00 -0.02 0.00 0.00 35.03 31.25 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 -6.43 5.71 0.00 -0.35 0.05 -1.26 -3.46 118.68 112.95 2khh s LEU 561 Ca 0.70 -2.58 0.00 0.00 0.05 0.00 0.00 54.13 52.30 2khh s LEU 561 Cb -0.41 -1.97 0.00 0.00 -2.05 0.00 0.00 46.19 41.76 2khh s LEU 561 CO 0.86 -0.50 0.00 -3.20 -0.55 0.00 0.00 176.35 172.96 2khh n ASN 562 N 3.96 0.00 -0.24 1.48 5.15 0.32 -1.70 115.26 124.23 2khh n ASN 562 Ca 0.05 0.44 -0.08 0.00 -0.60 0.00 0.00 54.58 54.39 2khh n ASN 562 Cb 0.41 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.97 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 2.25 -0.32 -0.99 5.20 0.00 -1.93 1.37 119.26 124.84 2khh h ALA 563 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2khh h ALA 563 Cb 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2khh h ALA 563 CO 0.00 -0.83 -0.53 0.39 0.00 0.00 0.00 179.25 178.28 2khh n GLU 564 N -5.40 -0.38 -0.04 0.00 1.02 -1.26 0.79 120.64 115.37 2khh n GLU 564 Ca 0.02 1.50 -0.12 0.00 -0.02 0.00 0.00 57.16 58.54 2khh n GLU 564 Cb 0.35 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.22 -1.11 -0.32 -1.99 -1.21 -1.54 116.97 111.03 2khh h TYR 565 Ca 0.21 -0.04 0.35 0.00 2.00 0.00 0.00 58.73 61.25 2khh h TYR 565 Cb 0.45 -0.06 -0.13 0.00 2.00 0.00 0.00 36.73 38.99 2khh h TYR 565 CO -0.98 0.44 0.67 0.00 -0.00 0.00 0.00 178.16 178.30 2khh h THR 566 N -0.06 0.27 -0.03 -2.88 1.03 0.47 1.80 112.91 113.52 2khh h THR 566 Ca 0.03 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.34 2khh h THR 566 Cb 0.35 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.43 2khh h THR 566 CO 0.01 0.05 -0.01 0.15 -0.01 0.00 0.00 175.52 175.70 2khh h PHE 567 N 0.25 0.07 -1.42 0.00 3.57 0.89 0.27 116.94 120.57 2khh h PHE 567 Ca 0.74 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 62.63 2khh h PHE 567 Cb 1.95 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.61 2khh h PHE 567 CO -0.01 0.45 1.03 1.98 -2.23 0.00 0.00 178.31 179.54 2khh h MET 568 N -0.34 0.00 0.08 1.11 4.05 0.35 2.15 114.93 122.34 2khh h MET 568 Ca 0.01 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 2khh h MET 568 Cb 0.43 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 2khh h MET 568 CO 0.00 0.00 -1.43 1.25 0.23 0.00 0.00 176.91 176.97 2khh h LEU 569 N 0.00 0.26 -1.69 3.39 6.46 0.68 0.13 115.31 124.53 2khh h LEU 569 Ca 0.67 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2khh h LEU 569 Cb 2.73 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 42.58 2khh h LEU 569 CO -0.01 1.29 0.00 0.00 -0.62 0.00 0.00 178.44 179.11 2khh h ALA 570 N 0.67 1.00 0.00 1.25 0.00 0.69 0.43 119.26 123.30 2khh h ALA 570 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 2khh h ALA 570 Cb 1.96 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 2khh h ALA 570 CO 0.15 0.00 -2.14 -0.85 0.00 0.00 0.00 179.25 176.41 2khh n GLU 571 N -2.78 0.62 0.00 0.00 0.28 0.18 -1.08 120.64 117.86 2khh n GLU 571 Ca -0.00 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.19 -1.40 0.61 0.00 1.43 0.00 0.00 31.44 32.26 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 -3.03 0.27 -0.31 3.44 6.02 0.44 -2.58 117.38 121.63 2khh n GLN 572 Ca -0.34 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 56.77 2khh n GLN 572 Cb 0.90 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.88 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 -1.34 3.47 -0.43 1.08 3.41 0.15 -4.94 113.62 115.01 2khh n SER 573 Ca 0.10 -2.27 -0.06 0.00 -0.26 0.00 0.00 58.87 56.39 2khh n SER 573 Cb 0.22 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.48 -4.46 -2.43 4.04 3.02 -1.07 -2.81 115.26 112.04 2khh n ASN 574 Ca 0.17 0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.67 2khh n ASN 574 Cb 0.60 -2.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.58 -1.16 0.00 3.10 7.02 -0.24 -4.91 117.44 118.67 2khh n TRP 575 Ca -0.06 0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2khh n TRP 575 Cb 0.32 -3.62 0.00 0.00 -2.42 0.00 0.00 31.31 25.59 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 -1.97 0.00 0.00 -0.99 4.05 -1.12 -5.05 115.26 110.18 2khh n ASN 576 Ca -0.21 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.21 2khh n ASN 576 Cb 0.66 -0.28 0.00 0.00 1.23 0.00 0.00 39.78 41.39 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 -1.34 0.00 -0.34 1.20 9.36 -1.26 -4.88 117.16 119.89 2khh n TYR 577 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 2khh n TYR 577 Cb 0.00 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 38.85 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 0.00 -0.40 2.98 4.81 -1.96 2.15 114.58 122.16 2khh h GLU 578 Ca 0.00 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 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 0.00 -0.29 -0.24 -0.73 0.00 0.00 179.01 177.75 2khh h VAL 579 N 0.00 1.27 0.03 0.32 3.04 -1.89 -1.60 116.25 117.42 2khh h VAL 579 Ca 0.46 -1.44 0.01 0.00 -1.01 0.00 0.00 66.70 64.72 2khh h VAL 579 Cb 0.71 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2khh h VAL 579 CO -0.98 0.48 -0.23 0.00 -1.01 0.00 0.00 177.57 175.83 2khh h ALA 580 N 0.94 -0.73 -0.58 3.17 0.00 0.30 5.89 119.26 128.25 2khh h ALA 580 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2khh h ALA 580 Cb 0.84 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 2khh h ALA 580 CO 0.07 -0.79 -0.39 0.82 0.00 0.00 0.00 179.25 178.96 2khh h ILE 581 N -0.32 0.00 -0.79 0.00 1.08 -0.10 1.40 117.51 118.79 2khh h ILE 581 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.64 2khh h ILE 581 Cb 0.33 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.97 2khh h ILE 581 CO -0.14 0.00 0.29 0.11 -0.69 0.00 0.00 178.15 177.72 2khh h LYS 582 N -0.06 0.38 -0.87 2.37 1.79 -0.58 -0.53 116.57 119.07 2khh h LYS 582 Ca 0.09 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.62 2khh h LYS 582 Cb 0.30 -0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 30.75 2khh h LYS 582 CO -0.58 0.25 -0.57 0.78 -1.08 0.00 0.00 179.45 178.26 2khh h GLY 583 N 0.39 -0.92 0.22 3.86 0.00 2.26 5.89 103.07 114.78 2khh h GLY 583 Ca 0.45 0.80 -0.00 0.00 0.00 0.00 0.00 47.33 48.57 2khh h GLY 583 CO -0.46 -0.01 -0.35 -2.75 0.00 0.00 0.00 176.54 172.98 2khh h PHE 584 N -0.07 -0.98 0.00 5.60 3.57 0.41 0.78 116.94 126.25 2khh h PHE 584 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2khh h PHE 584 Cb 0.43 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2khh h PHE 584 CO -0.98 -0.43 0.03 1.04 -2.23 0.00 0.00 178.31 175.75 2khh n GLN 585 N -4.45 0.00 0.00 1.11 1.13 0.35 -2.24 117.38 113.29 2khh n GLN 585 Ca -0.07 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2khh n GLN 585 Cb 0.29 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 -1.11 0.00 0.01 1.08 2.88 1.89 -4.43 113.62 113.93 2khh n SER 586 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2khh n SER 586 Cb 0.03 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 2khh n SER 586 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2khh n SER 587 N 0.00 0.01 -3.35 -3.46 7.64 -0.79 -4.57 113.62 109.10 2khh n SER 587 Ca 0.00 0.23 -0.07 0.00 1.01 0.00 0.00 58.87 60.03 2khh n SER 587 Cb 0.00 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 2khh n SER 587 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2khh n MET 588 N -1.25 0.00 0.00 1.43 0.00 -0.95 -2.87 117.12 113.47 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 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 33.22 32.72 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 3.91 0.00 0.00 6.12 4.05 -1.26 -4.98 115.26 123.10 2khh n ASN 589 Ca 0.23 -0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.23 2khh n ASN 589 Cb 0.28 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.29 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 3.51 8.20 0.00 -1.14 -5.07 105.19 110.70 2khh n GLY 590 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.57 0.14 -1.45 -0.61 -5.35 -1.26 -4.92 119.36 104.33 2khh n ILE 591 Ca 0.00 -0.03 -0.29 0.00 -0.27 0.00 0.00 62.75 62.16 2khh n ILE 591 Cb 0.19 -0.18 0.22 0.00 -1.74 0.00 0.00 39.64 38.13 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 1.67 -2.21 0.14 6.28 -0.04 -1.26 -4.82 135.00 134.77 2khh n PRO 592 Ca 0.19 -1.85 0.13 0.00 -0.04 0.00 0.00 63.50 61.93 2khh n PRO 592 Cb 0.12 -1.47 0.41 0.00 -0.04 0.00 0.00 33.50 32.52 2khh n PRO 592 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khh h ARG 593 N 0.00 0.00 0.14 0.54 3.08 -1.91 -1.38 114.38 114.84 2khh h ARG 593 Ca -0.41 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.45 2khh h ARG 593 Cb 1.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.26 2khh h ARG 593 CO 0.28 0.00 -0.82 0.93 -1.07 0.00 0.00 179.97 179.28 2khh h GLU 594 N 0.00 0.32 -0.22 0.04 5.08 -2.01 -3.33 114.58 114.46 2khh h GLU 594 Ca 0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 2khh h GLU 594 Cb 0.67 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2khh h GLU 594 CO 0.00 1.24 -0.28 0.00 -1.00 0.00 0.00 179.01 178.97 2khh h ALA 595 N 0.10 0.33 -2.01 3.43 0.00 -1.90 -3.39 119.26 115.82 2khh h ALA 595 Ca -0.14 -0.40 -0.73 0.00 0.00 0.00 0.00 54.91 53.64 2khh h ALA 595 Cb 1.64 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 19.15 2khh h ALA 595 CO 0.16 0.34 -0.06 -0.59 0.00 0.00 0.00 179.25 179.10 2khh s PHE 596 N -4.24 3.12 -0.84 0.00 -0.12 -0.53 0.12 117.98 115.49 2khh s PHE 596 Ca -0.13 -1.09 -0.17 0.00 -0.05 0.00 0.00 56.93 55.49 2khh s PHE 596 Cb 0.07 -3.87 0.17 0.00 -0.63 0.00 0.00 43.02 38.76 2khh s PHE 596 CO 0.81 -1.14 0.92 0.14 -0.05 0.00 0.00 175.22 175.89 2khh s VAL 597 N 2.15 5.14 -0.90 -2.49 -7.23 -1.22 -4.46 120.40 111.38 2khh s VAL 597 Ca 0.07 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2khh s VAL 597 Cb -0.27 -4.61 0.00 0.00 0.56 0.00 0.00 36.38 32.07 2khh s VAL 597 CO 0.05 -1.25 0.00 0.00 -0.31 0.00 0.00 175.10 173.59 2khh n GLN 598 N 5.37 -1.76 0.00 4.82 1.13 -1.26 -4.86 117.38 120.83 2khh n GLN 598 Ca 0.15 0.77 0.00 0.00 -1.94 0.00 0.00 57.00 55.98 2khh n GLN 598 Cb 0.47 -5.15 0.00 0.00 0.11 0.00 0.00 30.24 25.68 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81