#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 -0.21 -0.14 0.55 2.96 -1.26 -5.13 118.68 115.46 2khh s LEU 544 Ca 0.00 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 2khh s LEU 544 Cb 0.00 1.58 -0.05 0.00 0.50 0.00 0.00 46.19 48.22 2khh s LEU 544 CO 0.00 -0.34 0.35 0.21 -1.32 0.00 0.00 176.35 175.25 2khh s ASN 545 N -2.20 6.52 0.58 3.68 2.47 -1.26 -4.92 114.94 119.81 2khh s ASN 545 Ca 0.08 0.61 0.32 0.00 0.42 0.00 0.00 52.86 54.29 2khh s ASN 545 Cb -0.01 -2.21 1.11 0.00 -1.45 0.00 0.00 41.25 38.69 2khh s ASN 545 CO -0.06 0.08 1.33 -2.65 -3.72 0.00 0.00 177.10 172.08 2khh n PRO 546 N 3.53 0.01 0.03 0.43 -0.02 -1.26 0.74 135.00 138.46 2khh n PRO 546 Ca -0.11 1.01 -0.11 0.00 -2.02 0.00 0.00 63.50 62.27 2khh n PRO 546 Cb 0.52 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 2khh n PRO 546 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khh h VAL 547 N 0.00 0.97 -0.80 -1.45 2.07 -1.99 -1.41 116.25 113.64 2khh h VAL 547 Ca 0.60 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2khh h VAL 547 Cb 3.09 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 34.47 2khh h VAL 547 CO -0.01 0.26 0.39 1.56 0.02 0.00 0.00 177.57 179.79 2khh h GLN 548 N -0.84 1.14 0.17 1.57 4.20 -0.07 -1.21 115.11 120.07 2khh h GLN 548 Ca -0.02 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.54 2khh h GLN 548 Cb 0.55 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2khh h GLN 548 CO 0.03 0.87 -0.25 1.25 -0.67 0.00 0.00 178.83 180.06 2khh h LEU 549 N 1.13 -0.68 -0.74 1.46 7.12 -0.72 0.15 115.31 123.02 2khh h LEU 549 Ca 0.28 0.07 0.14 0.00 0.13 0.00 0.00 57.88 58.49 2khh h LEU 549 Cb 0.11 0.25 -0.09 0.00 -0.53 0.00 0.00 40.66 40.39 2khh h LEU 549 CO -0.04 -0.34 0.30 -0.33 -0.13 0.00 0.00 178.44 177.90 2khh h GLU 550 N -0.48 0.43 -0.13 1.25 4.39 -0.85 0.96 114.58 120.15 2khh h GLU 550 Ca 0.01 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2khh h GLU 550 Cb 0.48 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2khh h GLU 550 CO -0.10 0.29 -0.16 1.25 -1.16 0.00 0.00 179.01 179.12 2khh h LEU 551 N 0.44 -0.51 -0.80 1.33 5.85 0.00 0.19 115.31 121.82 2khh h LEU 551 Ca 0.40 0.09 0.19 0.00 0.84 0.00 0.00 57.88 59.41 2khh h LEU 551 Cb 0.60 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 2khh h LEU 551 CO -0.39 -0.21 0.18 -0.07 -0.34 0.00 0.00 178.44 177.60 2khh h LEU 552 N -0.21 -0.04 0.32 2.25 3.38 0.17 1.27 115.31 122.46 2khh h LEU 552 Ca 0.10 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2khh h LEU 552 Cb 0.35 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2khh h LEU 552 CO -0.25 -0.10 -0.15 0.78 0.09 0.00 0.00 178.44 178.81 2khh h ASN 553 N 0.23 -0.36 -0.59 -0.43 -0.26 0.11 2.13 115.58 116.41 2khh h ASN 553 Ca 0.47 -0.02 0.13 0.00 -0.56 0.00 0.00 56.30 56.32 2khh h ASN 553 Cb 0.86 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.18 2khh h ASN 553 CO -0.59 -0.22 0.41 0.50 -1.06 0.00 0.00 177.43 176.47 2khh h LYS 554 N -0.48 0.21 0.07 0.81 1.63 0.16 1.06 116.57 120.03 2khh h LYS 554 Ca -0.04 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.48 2khh h LYS 554 Cb 0.36 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 31.96 2khh h LYS 554 CO 0.07 0.14 -1.12 1.25 -3.45 0.00 0.00 179.45 176.34 2khh h LEU 555 N 0.22 0.70 -0.12 5.20 5.85 0.29 0.28 115.31 127.73 2khh h LEU 555 Ca 0.28 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2khh h LEU 555 Cb 0.81 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2khh h LEU 555 CO -0.05 1.44 -0.00 1.57 -0.34 0.00 0.00 178.44 181.05 2khh n HIS 556 N -3.75 0.00 -0.00 1.25 -0.00 0.71 -0.32 115.22 113.11 2khh n HIS 556 Ca -0.10 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.12 2khh n HIS 556 Cb 0.93 -0.01 -0.07 0.00 -0.12 0.00 0.00 29.99 30.71 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 -0.87 0.00 -0.13 0.27 7.99 0.33 -3.39 117.00 121.20 2khh n LEU 557 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.96 2khh n LEU 557 Cb 0.15 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.36 2khh n LEU 557 CO 0.18 0.00 -1.38 -0.62 -1.51 0.00 0.00 177.39 174.07 2khh n GLU 558 N -1.82 0.55 0.06 3.23 -0.58 0.96 -4.50 120.64 118.54 2khh n GLU 558 Ca -0.02 0.23 0.11 0.00 -0.42 0.00 0.00 57.16 57.07 2khh n GLU 558 Cb 0.24 -1.42 0.01 0.00 -0.57 0.00 0.00 31.44 29.70 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 -4.07 0.34 -3.68 2.62 -2.24 0.56 -4.92 114.28 102.90 2khh n THR 559 Ca -0.50 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 2khh n THR 559 Cb 0.87 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.29 -1.16 -3.54 -0.78 5.02 -0.74 -4.63 118.16 110.04 2khh n LYS 560 Ca 0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 2khh n LYS 560 Cb 0.50 -3.94 -0.06 0.00 -0.02 0.00 0.00 35.03 31.50 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 -5.84 5.92 0.00 -0.35 0.05 -1.26 -3.44 118.68 113.77 2khh s LEU 561 Ca 0.56 -2.69 0.00 0.00 0.05 0.00 0.00 54.13 52.04 2khh s LEU 561 Cb -0.33 -2.02 0.00 0.00 -2.05 0.00 0.00 46.19 41.80 2khh s LEU 561 CO 0.69 -0.49 0.00 -3.20 -0.55 0.00 0.00 176.35 172.80 2khh n ASN 562 N 3.83 0.00 -0.24 1.48 5.15 0.26 -1.54 115.26 124.20 2khh n ASN 562 Ca 0.09 0.54 -0.11 0.00 -0.60 0.00 0.00 54.58 54.50 2khh n ASN 562 Cb 0.42 -0.81 -0.07 0.00 -0.53 0.00 0.00 39.78 38.79 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 2.49 -0.52 -0.96 5.20 0.00 -1.93 1.68 119.26 125.22 2khh h ALA 563 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2khh h ALA 563 Cb 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2khh h ALA 563 CO 0.00 -0.93 -0.42 -1.91 0.00 0.00 0.00 179.25 175.98 2khh n GLU 564 N -5.36 -0.28 -0.03 0.00 2.13 -1.26 0.14 120.64 115.98 2khh n GLU 564 Ca 0.00 1.47 -0.13 0.00 0.66 0.00 0.00 57.16 59.17 2khh n GLU 564 Cb 0.33 -2.18 -0.08 0.00 0.27 0.00 0.00 31.44 29.78 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 -1.13 4.31 -1.99 -1.08 -1.67 116.97 115.59 2khh h TYR 565 Ca 0.29 -0.05 0.34 0.00 2.00 0.00 0.00 58.73 61.31 2khh h TYR 565 Cb 0.53 -0.04 -0.11 0.00 2.00 0.00 0.00 36.73 39.10 2khh h TYR 565 CO -0.88 0.55 0.72 0.00 -0.00 0.00 0.00 178.16 178.55 2khh h THR 566 N -0.25 0.34 0.02 -2.88 1.03 0.59 1.28 112.91 113.05 2khh h THR 566 Ca 0.01 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2khh h THR 566 Cb 0.51 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 2khh h THR 566 CO 0.01 0.05 -0.01 0.15 -0.01 0.00 0.00 175.52 175.71 2khh h PHE 567 N 0.27 -0.03 -1.44 0.00 3.04 0.16 0.26 116.94 119.21 2khh h PHE 567 Ca 0.70 -0.00 0.42 0.00 3.98 0.00 0.00 57.97 63.06 2khh h PHE 567 Cb 1.91 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 40.37 2khh h PHE 567 CO -0.00 0.37 1.03 0.52 -2.02 0.00 0.00 178.31 178.21 2khh h MET 568 N -0.44 0.00 0.10 1.11 2.86 0.24 2.29 114.93 121.09 2khh h MET 568 Ca -0.00 -0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 2khh h MET 568 Cb 0.41 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2khh h MET 568 CO 0.01 0.00 -1.33 1.25 1.06 0.00 0.00 176.91 177.90 2khh h LEU 569 N 0.00 0.32 -2.08 1.22 6.46 0.52 0.44 115.31 122.20 2khh h LEU 569 Ca 0.68 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2khh h LEU 569 Cb 2.74 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 42.57 2khh h LEU 569 CO -0.01 1.31 0.00 0.00 -0.62 0.00 0.00 178.44 179.12 2khh h ALA 570 N 0.64 1.00 0.00 1.25 0.00 0.72 0.40 119.26 123.27 2khh h ALA 570 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 2khh h ALA 570 Cb 1.96 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 2khh h ALA 570 CO 0.17 0.00 -2.22 -0.85 0.00 0.00 0.00 179.25 176.35 2khh n GLU 571 N -3.05 0.53 0.00 0.00 0.28 0.19 0.07 120.64 118.66 2khh n GLU 571 Ca -0.01 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.21 2khh n GLU 571 Cb 0.20 -1.42 0.41 0.00 1.43 0.00 0.00 31.44 32.07 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 -3.22 0.08 -0.29 3.44 6.02 0.16 -2.06 117.38 121.51 2khh n GLN 572 Ca -0.39 0.17 0.07 0.00 -0.01 0.00 0.00 57.00 56.84 2khh n GLN 572 Cb 0.89 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.86 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 -1.44 3.35 -0.72 1.08 3.41 0.14 -4.95 113.62 114.50 2khh n SER 573 Ca 0.06 -2.28 -0.09 0.00 -0.26 0.00 0.00 58.87 56.30 2khh n SER 573 Cb 0.19 -0.35 -0.04 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 0.38 -4.47 -2.30 4.04 3.02 -0.87 -2.74 115.26 112.32 2khh n ASN 574 Ca 0.16 0.23 -0.17 0.00 -0.03 0.00 0.00 54.58 54.77 2khh n ASN 574 Cb 0.58 -2.79 -0.02 0.00 -0.61 0.00 0.00 39.78 36.95 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 -2.61 -1.07 0.00 3.10 7.02 0.11 -4.90 117.44 119.09 2khh n TRP 575 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 2khh n TRP 575 Cb 0.36 -3.34 0.00 0.00 -2.42 0.00 0.00 31.31 25.91 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 -1.78 0.00 0.00 -0.99 2.85 -1.11 -5.04 115.26 109.19 2khh n ASN 576 Ca -0.20 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2khh n ASN 576 Cb 0.64 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 -0.97 0.00 -0.34 1.20 9.36 -1.26 -4.89 117.16 120.26 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 0.13 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.46 2.98 4.81 -1.97 1.79 114.58 121.74 2khh h GLU 578 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 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 -0.18 -0.24 -0.73 0.00 0.00 179.01 177.86 2khh h VAL 579 N 0.00 1.27 -0.04 0.32 3.04 -1.90 -1.64 116.25 117.31 2khh h VAL 579 Ca 0.45 -1.32 0.01 0.00 -1.01 0.00 0.00 66.70 64.83 2khh h VAL 579 Cb 0.69 1.15 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 2khh h VAL 579 CO -0.97 0.45 -0.16 0.00 -1.01 0.00 0.00 177.57 175.89 2khh h ALA 580 N 0.86 -0.56 -0.53 3.17 0.00 0.22 6.01 119.26 128.43 2khh h ALA 580 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2khh h ALA 580 Cb 0.74 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2khh h ALA 580 CO 0.06 -0.62 -0.31 -0.89 0.00 0.00 0.00 179.25 177.48 2khh n ILE 581 N -3.41 -0.36 -0.29 0.00 2.08 0.15 0.24 119.36 117.77 2khh n ILE 581 Ca -0.02 1.97 0.11 0.00 0.56 0.00 0.00 62.75 65.36 2khh n ILE 581 Cb 0.11 -2.50 0.27 0.00 -0.75 0.00 0.00 39.64 36.77 2khh n ILE 581 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2khh h LYS 582 N 0.00 0.43 -0.72 0.38 1.57 -0.41 -0.01 116.57 117.81 2khh h LYS 582 Ca 0.08 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2khh h LYS 582 Cb 0.22 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.33 2khh h LYS 582 CO -0.50 0.28 -0.54 0.78 -0.57 0.00 0.00 179.45 178.91 2khh h GLY 583 N 0.44 -1.01 0.16 3.86 0.00 2.67 7.36 103.07 116.55 2khh h GLY 583 Ca 0.51 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.63 2khh h GLY 583 CO -0.48 -0.07 -0.33 -2.75 0.00 0.00 0.00 176.54 172.90 2khh h PHE 584 N -0.15 -0.95 0.00 5.60 3.57 0.72 0.86 116.94 126.60 2khh h PHE 584 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2khh h PHE 584 Cb 0.45 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2khh h PHE 584 CO -0.90 -0.39 0.10 1.04 -2.23 0.00 0.00 178.31 175.93 2khh n GLN 585 N -4.35 0.00 0.00 1.11 1.13 0.07 -2.13 117.38 113.21 2khh n GLN 585 Ca -0.06 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 2khh n GLN 585 Cb 0.27 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.36 0.00 0.00 1.08 2.88 2.34 -4.28 113.62 114.28 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 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.00 -3.47 -3.46 7.64 -0.77 -4.57 113.62 108.98 2khh n SER 587 Ca 0.00 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 60.00 2khh n SER 587 Cb 0.00 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.20 0.00 0.00 1.43 0.00 -0.90 -2.93 117.12 113.51 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 0.29 -0.82 0.00 0.00 0.00 0.00 0.00 33.22 32.69 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 4.08 0.00 0.00 6.12 2.85 -1.26 -4.98 115.26 122.06 2khh n ASN 589 Ca 0.26 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 2khh n ASN 589 Cb 0.27 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.29 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 3.52 8.20 0.00 -1.15 -5.07 105.19 110.69 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 -1.42 0.01 -1.37 -0.61 -5.35 -1.26 -4.92 119.36 104.43 2khh n ILE 591 Ca 0.00 -0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 2khh n ILE 591 Cb 0.16 -0.19 0.15 0.00 -1.74 0.00 0.00 39.64 38.03 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 1.73 -1.47 0.16 6.28 -0.04 -1.26 -4.82 135.00 135.58 2khh n PRO 592 Ca 0.20 -1.36 0.13 0.00 -0.04 0.00 0.00 63.50 62.43 2khh n PRO 592 Cb 0.11 -1.02 0.36 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.12 0.54 3.08 -1.92 -1.30 114.38 114.90 2khh h ARG 593 Ca -0.30 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.50 2khh h ARG 593 Cb 0.84 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.92 2khh h ARG 593 CO 0.20 0.00 -1.08 0.93 -1.07 0.00 0.00 179.97 178.95 2khh h GLU 594 N 0.00 0.52 -0.04 0.04 5.08 -2.01 -3.32 114.58 114.85 2khh h GLU 594 Ca 0.00 -0.72 -0.21 0.00 -1.00 0.00 0.00 59.36 57.43 2khh h GLU 594 Cb 0.77 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.28 2khh h GLU 594 CO 0.00 1.32 -0.78 0.00 -1.00 0.00 0.00 179.01 178.55 2khh h ALA 595 N 0.24 0.15 -2.00 3.43 0.00 -1.90 -3.40 119.26 115.78 2khh h ALA 595 Ca -0.17 -0.61 -0.72 0.00 0.00 0.00 0.00 54.91 53.41 2khh h ALA 595 Cb 1.79 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 19.40 2khh h ALA 595 CO 0.21 0.54 -0.01 -0.59 0.00 0.00 0.00 179.25 179.39 2khh s PHE 596 N -3.42 3.08 -0.98 0.00 -0.12 -0.50 0.89 117.98 116.95 2khh s PHE 596 Ca -0.11 -1.00 -0.12 0.00 -0.05 0.00 0.00 56.93 55.64 2khh s PHE 596 Cb 0.06 -3.85 0.24 0.00 -0.63 0.00 0.00 43.02 38.83 2khh s PHE 596 CO 0.87 -1.16 0.97 0.14 -0.05 0.00 0.00 175.22 175.99 2khh s VAL 597 N 2.33 5.69 0.00 -2.49 -7.23 -1.22 -4.49 120.40 112.98 2khh s VAL 597 Ca 0.09 -2.83 0.00 0.00 -1.81 0.00 0.00 61.98 57.44 2khh s VAL 597 Cb -0.25 -4.57 0.00 0.00 0.56 0.00 0.00 36.38 32.12 2khh s VAL 597 CO 0.06 -1.16 0.00 1.67 -0.31 0.00 0.00 175.10 175.36 2khh n GLN 598 N 3.70 -0.66 0.00 4.82 -0.06 -1.26 -4.86 117.38 119.06 2khh n GLN 598 Ca 0.20 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 2khh n GLN 598 Cb 0.44 -3.74 0.00 0.00 -4.06 0.00 0.00 30.24 22.88 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05