#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khh n LEU 544 N 0.00 -1.02 -4.73 2.89 7.94 -1.26 -4.85 117.00 115.97 2khh n LEU 544 Ca 0.00 2.11 -0.36 0.00 -1.11 0.00 0.00 56.01 56.65 2khh n LEU 544 Cb 0.00 -2.47 -0.07 0.00 0.53 0.00 0.00 43.42 41.41 2khh n LEU 544 CO 0.00 -1.42 -0.02 0.21 -1.11 0.00 0.00 177.39 175.04 2khh s ASN 545 N -6.16 6.44 0.57 1.96 2.47 -1.26 -4.92 114.94 114.03 2khh s ASN 545 Ca 0.00 0.51 0.25 0.00 0.42 0.00 0.00 52.86 54.04 2khh s ASN 545 Cb 0.00 -2.18 0.85 0.00 -1.45 0.00 0.00 41.25 38.47 2khh s ASN 545 CO 0.00 0.11 1.21 -2.65 -3.72 0.00 0.00 177.10 172.06 2khh n PRO 546 N 3.49 0.01 0.01 0.43 -0.02 -1.26 0.93 135.00 138.59 2khh n PRO 546 Ca -0.12 0.96 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2khh n PRO 546 Cb 0.52 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.02 -0.70 -1.45 2.07 -1.99 -1.22 116.25 113.98 2khh h VAL 547 Ca 0.46 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2khh h VAL 547 Cb 2.76 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 34.27 2khh h VAL 547 CO -0.00 0.29 0.36 1.56 0.02 0.00 0.00 177.57 179.79 2khh h GLN 548 N -0.86 0.98 0.43 1.57 4.20 0.16 -1.06 115.11 120.53 2khh h GLN 548 Ca -0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 2khh h GLN 548 Cb 0.57 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2khh h GLN 548 CO 0.02 0.74 -0.24 1.25 -0.67 0.00 0.00 178.83 179.93 2khh h LEU 549 N 0.98 -0.59 -0.89 1.46 7.12 -0.86 0.10 115.31 122.62 2khh h LEU 549 Ca 0.25 0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.46 2khh h LEU 549 Cb 0.06 0.17 -0.10 0.00 -0.53 0.00 0.00 40.66 40.26 2khh h LEU 549 CO -0.04 -0.39 0.47 -0.33 -0.13 0.00 0.00 178.44 178.02 2khh h GLU 550 N -0.63 0.59 -0.37 1.25 4.39 -0.82 0.32 114.58 119.31 2khh h GLU 550 Ca -0.05 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2khh h GLU 550 Cb 0.51 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2khh h GLU 550 CO 0.07 0.39 0.13 1.25 -1.16 0.00 0.00 179.01 179.69 2khh h LEU 551 N 0.61 0.13 -0.76 1.33 5.85 -0.38 -0.35 115.31 121.75 2khh h LEU 551 Ca 0.51 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.40 2khh h LEU 551 Cb 0.79 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 2khh h LEU 551 CO -0.40 0.11 0.34 -0.07 -0.34 0.00 0.00 178.44 178.08 2khh h LEU 552 N 0.28 0.36 0.05 2.25 3.38 0.16 0.61 115.31 122.40 2khh h LEU 552 Ca 0.17 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2khh h LEU 552 Cb 0.15 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2khh h LEU 552 CO -0.17 0.16 -0.13 0.78 0.09 0.00 0.00 178.44 179.17 2khh h ASN 553 N 0.51 -0.36 -0.80 -0.43 -0.26 0.04 1.97 115.58 116.25 2khh h ASN 553 Ca 0.41 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 56.20 2khh h ASN 553 Cb 0.57 0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.94 2khh h ASN 553 CO -0.37 -0.19 0.53 0.11 -1.06 0.00 0.00 177.43 176.46 2khh h LYS 554 N -0.24 1.06 -0.47 0.81 1.79 0.04 0.86 116.57 120.42 2khh h LYS 554 Ca 0.03 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 2khh h LYS 554 Cb 0.27 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2khh h LYS 554 CO -0.09 0.70 -0.20 1.25 -1.08 0.00 0.00 179.45 180.03 2khh h LEU 555 N 1.09 0.96 -0.07 2.94 5.85 0.14 1.02 115.31 127.24 2khh h LEU 555 Ca 0.29 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2khh h LEU 555 Cb -0.12 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.64 2khh h LEU 555 CO -0.06 1.13 -0.05 1.57 -0.34 0.00 0.00 178.44 180.68 2khh n HIS 556 N -4.12 0.00 0.43 1.25 -0.00 0.66 -0.66 115.22 112.79 2khh n HIS 556 Ca 0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 2khh n HIS 556 Cb 0.44 -0.26 -0.02 0.00 -0.12 0.00 0.00 29.99 30.03 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 -1.19 0.86 -0.06 0.27 7.99 0.28 -3.26 117.00 121.89 2khh n LEU 557 Ca 0.14 -0.65 -0.10 0.00 -0.01 0.00 0.00 56.01 55.39 2khh n LEU 557 Cb 0.26 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.52 2khh n LEU 557 CO 0.24 0.18 -0.88 1.21 -1.51 0.00 0.00 177.39 176.63 2khh n GLU 558 N -0.69 0.26 -0.01 3.23 2.13 0.35 -4.68 120.64 121.22 2khh n GLU 558 Ca 0.03 0.09 0.10 0.00 0.66 0.00 0.00 57.16 58.04 2khh n GLU 558 Cb 0.18 -1.06 -0.16 0.00 0.27 0.00 0.00 31.44 30.67 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2khh n THR 559 N -3.20 0.00 -2.60 6.31 5.66 0.17 -4.95 114.28 115.67 2khh n THR 559 Ca -0.21 -0.45 -0.04 0.00 -3.05 0.00 0.00 64.05 60.30 2khh n THR 559 Cb 0.68 0.09 -0.01 0.00 -1.55 0.00 0.00 70.33 69.54 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 -2.18 -2.67 -1.33 1.09 5.02 -0.83 -4.68 118.16 112.58 2khh n LYS 560 Ca -0.03 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 2khh n LYS 560 Cb 0.53 -4.28 -0.09 0.00 -0.02 0.00 0.00 35.03 31.17 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 -2.52 6.12 -1.57 -0.35 -0.00 -1.25 -3.46 117.00 113.96 2khh n LEU 561 Ca 0.01 -3.79 0.00 0.00 -0.00 0.00 0.00 56.01 52.23 2khh n LEU 561 Cb 0.47 -1.28 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 2khh n LEU 561 CO 0.09 1.71 -0.35 -3.20 -0.00 0.00 0.00 177.39 175.64 2khh n ASN 562 N 1.32 -7.17 0.00 1.45 5.15 0.39 -3.37 115.26 113.03 2khh n ASN 562 Ca 0.47 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 55.44 2khh n ASN 562 Cb 0.65 -3.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 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 1.10 -0.00 -0.13 5.20 0.00 -1.26 0.28 120.51 125.69 2khh n ALA 563 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2khh n ALA 563 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 2khh n ALA 563 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2khh n GLU 564 N -1.08 -0.11 0.02 0.00 -0.58 -1.26 0.33 120.64 117.96 2khh n GLU 564 Ca 0.00 0.51 -0.13 0.00 -0.42 0.00 0.00 57.16 57.12 2khh n GLU 564 Cb 0.00 -0.75 -0.09 0.00 -0.57 0.00 0.00 31.44 30.04 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2khh h TYR 565 N 0.00 -0.04 -0.93 -0.32 -1.99 -1.54 -1.46 116.97 110.70 2khh h TYR 565 Ca 0.08 -0.00 0.26 0.00 2.00 0.00 0.00 58.73 61.08 2khh h TYR 565 Cb 0.17 0.01 -0.14 0.00 2.00 0.00 0.00 36.73 38.77 2khh h TYR 565 CO -0.32 0.23 0.37 0.00 -0.00 0.00 0.00 178.16 178.45 2khh h THR 566 N -0.30 0.33 -0.42 -2.88 1.03 2.27 1.91 112.91 114.84 2khh h THR 566 Ca -0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2khh h THR 566 Cb 0.28 0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.37 2khh h THR 566 CO 0.01 0.05 0.24 0.15 -0.01 0.00 0.00 175.52 175.95 2khh h PHE 567 N 0.28 0.58 -1.14 0.00 3.57 0.96 0.33 116.94 121.52 2khh h PHE 567 Ca 0.62 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.43 2khh h PHE 567 Cb 1.30 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 2khh h PHE 567 CO -0.16 0.43 0.81 1.98 -2.23 0.00 0.00 178.31 179.14 2khh h MET 568 N 0.55 0.05 0.06 1.11 4.05 0.40 1.40 114.93 122.55 2khh h MET 568 Ca 0.15 -0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.31 2khh h MET 568 Cb 0.04 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2khh h MET 568 CO -0.02 0.04 -1.28 1.25 0.23 0.00 0.00 176.91 177.12 2khh h LEU 569 N 0.06 0.19 -2.07 3.39 6.46 0.16 0.13 115.31 123.62 2khh h LEU 569 Ca 0.56 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 2khh h LEU 569 Cb 2.11 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.97 2khh h LEU 569 CO -0.05 1.19 -0.03 0.00 -0.62 0.00 0.00 178.44 178.93 2khh h ALA 570 N 0.78 1.05 0.00 1.25 0.00 0.52 0.46 119.26 123.32 2khh h ALA 570 Ca -0.13 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 2khh h ALA 570 Cb 1.91 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2khh h ALA 570 CO 0.15 0.03 -2.41 -0.85 0.00 0.00 0.00 179.25 176.18 2khh n GLU 571 N -3.19 0.63 0.00 0.00 0.28 0.17 -1.02 120.64 117.51 2khh n GLU 571 Ca -0.01 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 2khh n GLU 571 Cb 0.22 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.08 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 -3.20 0.15 -0.28 3.44 6.02 0.43 -2.25 117.38 121.69 2khh n GLN 572 Ca -0.43 0.12 0.07 0.00 -0.01 0.00 0.00 57.00 56.75 2khh n GLN 572 Cb 0.97 -1.50 0.22 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 -1.40 3.39 -0.45 1.08 3.41 0.16 -4.94 113.62 114.88 2khh n SER 573 Ca 0.07 -2.13 -0.06 0.00 -0.26 0.00 0.00 58.87 56.49 2khh n SER 573 Cb 0.21 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.71 -5.01 -2.94 4.04 3.02 -0.95 -2.49 115.26 111.64 2khh n ASN 574 Ca 0.16 0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2khh n ASN 574 Cb 0.55 -3.03 0.03 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.39 -1.84 0.00 3.10 7.02 -0.19 -4.93 117.44 118.21 2khh n TRP 575 Ca -0.06 0.45 -0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2khh n TRP 575 Cb 0.41 -4.40 -0.00 0.00 -2.42 0.00 0.00 31.31 24.89 2khh n TRP 575 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2khh h ASN 576 N -1.19 -0.02 0.00 -0.99 -0.73 -1.76 -3.50 115.58 107.39 2khh h ASN 576 Ca -0.53 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2khh h ASN 576 Cb 1.37 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.96 2khh h ASN 576 CO 0.57 0.06 0.00 0.00 -0.37 0.00 0.00 177.43 177.69 2khh n TYR 577 N -2.47 0.00 -0.34 0.67 9.36 -1.26 -4.86 117.16 118.26 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 0.01 0.00 0.21 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 -0.23 2.98 4.81 -1.97 2.49 114.58 122.67 2khh h GLU 578 Ca 0.00 -0.00 -0.15 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 -0.49 -0.24 -0.73 0.00 0.00 179.01 177.56 2khh h VAL 579 N 0.01 1.31 0.09 0.32 3.04 -1.89 -1.52 116.25 117.60 2khh h VAL 579 Ca 0.53 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 2khh h VAL 579 Cb 0.97 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 2khh h VAL 579 CO -0.94 0.54 -0.19 0.00 -1.01 0.00 0.00 177.57 175.97 2khh h ALA 580 N 0.96 -0.77 -0.26 3.17 0.00 0.37 5.73 119.26 128.46 2khh h ALA 580 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2khh h ALA 580 Cb 1.03 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2khh h ALA 580 CO 0.10 -0.81 -0.16 0.82 0.00 0.00 0.00 179.25 179.20 2khh h ILE 581 N -0.30 0.00 -1.06 0.00 1.08 -0.07 2.64 117.51 119.80 2khh h ILE 581 Ca -0.01 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.74 2khh h ILE 581 Cb 0.28 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.94 2khh h ILE 581 CO -0.08 0.00 0.70 0.11 -0.69 0.00 0.00 178.15 178.19 2khh h LYS 582 N -0.01 0.31 -0.19 2.37 1.57 -0.88 0.23 116.57 119.98 2khh h LYS 582 Ca 0.04 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2khh h LYS 582 Cb 0.12 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 2khh h LYS 582 CO -0.25 0.21 -0.48 0.78 -0.57 0.00 0.00 179.45 179.14 2khh h GLY 583 N 0.32 -0.85 0.38 3.86 0.00 3.00 4.59 103.07 114.38 2khh h GLY 583 Ca 0.60 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.53 2khh h GLY 583 CO -0.26 -0.20 -0.47 -2.75 0.00 0.00 0.00 176.54 172.86 2khh h PHE 584 N -0.50 -1.30 0.00 5.60 3.57 0.14 0.72 116.94 125.16 2khh h PHE 584 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2khh h PHE 584 Cb 0.64 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2khh h PHE 584 CO -0.56 -0.59 0.00 1.04 -2.23 0.00 0.00 178.31 175.97 2khh n GLN 585 N -5.51 0.05 0.00 1.11 1.13 -0.38 -3.03 117.38 110.75 2khh n GLN 585 Ca -0.10 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2khh n GLN 585 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -1.15 0.00 -0.18 1.08 2.88 1.49 -4.61 113.62 113.13 2khh n SER 586 Ca 0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 2khh n SER 586 Cb 0.01 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.62 -6.24 -3.46 0.02 -1.61 -3.44 113.55 97.19 2khh h SER 587 Ca 0.00 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2khh h SER 587 Cb 0.00 0.71 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2khh h SER 587 CO 0.00 -0.36 -0.02 0.80 -1.14 0.00 0.00 176.83 176.11 2khh n MET 588 N -5.39 -0.54 0.00 3.45 0.00 -1.17 -4.41 117.12 109.05 2khh n MET 588 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.44 2khh n MET 588 Cb 0.34 0.43 0.00 0.00 0.00 0.00 0.00 33.22 34.00 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 0.67 0.00 0.00 6.12 4.05 -1.26 -4.96 115.26 119.88 2khh n ASN 589 Ca -0.00 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.86 2khh n ASN 589 Cb 0.01 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.02 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 3.68 8.20 0.00 -1.26 -5.06 105.19 110.74 2khh n GLY 590 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.57 0.12 -1.26 -0.61 -5.35 -1.26 -4.97 119.36 105.46 2khh n ILE 591 Ca 0.00 -0.02 -0.19 0.00 -0.27 0.00 0.00 62.75 62.27 2khh n ILE 591 Cb 0.05 -1.68 0.14 0.00 -1.74 0.00 0.00 39.64 36.41 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 4.13 -1.48 0.11 6.28 -0.04 -1.26 -4.81 135.00 137.94 2khh n PRO 592 Ca 0.18 -1.20 0.13 0.00 -0.04 0.00 0.00 63.50 62.56 2khh n PRO 592 Cb 0.30 -0.93 0.39 0.00 -0.04 0.00 0.00 33.50 33.23 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 0.25 0.54 3.08 -1.93 -1.09 114.38 115.22 2khh h ARG 593 Ca -0.26 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.45 2khh h ARG 593 Cb 0.76 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.85 2khh h ARG 593 CO 0.18 0.00 -1.51 0.93 -1.07 0.00 0.00 179.97 178.50 2khh h GLU 594 N 0.00 0.53 0.14 0.04 5.08 -1.99 -3.34 114.58 115.04 2khh h GLU 594 Ca 0.00 -0.90 -0.25 0.00 -1.00 0.00 0.00 59.36 57.21 2khh h GLU 594 Cb 0.74 0.34 0.03 0.00 0.50 0.00 0.00 28.75 30.35 2khh h GLU 594 CO 0.00 1.43 -1.06 0.00 -1.00 0.00 0.00 179.01 178.38 2khh h ALA 595 N 0.16 -0.06 -1.86 3.43 0.00 -1.80 -3.41 119.26 115.72 2khh h ALA 595 Ca -0.26 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.23 2khh h ALA 595 Cb 2.17 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.89 2khh h ALA 595 CO 0.27 0.54 0.34 0.12 0.00 0.00 0.00 179.25 180.51 2khh s PHE 596 N -2.76 2.93 -0.75 0.00 5.36 -0.42 -0.46 117.98 121.88 2khh s PHE 596 Ca -0.11 -0.92 -0.15 0.00 -0.96 0.00 0.00 56.93 54.79 2khh s PHE 596 Cb 0.03 -4.13 0.19 0.00 -0.34 0.00 0.00 43.02 38.77 2khh s PHE 596 CO 0.89 -1.42 0.71 0.14 -1.46 0.00 0.00 175.22 174.08 2khh s VAL 597 N 3.04 5.45 -0.92 3.12 -7.23 -1.22 -4.51 120.40 118.13 2khh s VAL 597 Ca 0.18 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2khh s VAL 597 Cb -0.19 -4.45 0.00 0.00 0.56 0.00 0.00 36.38 32.30 2khh s VAL 597 CO 0.05 -1.01 0.00 0.00 -0.31 0.00 0.00 175.10 173.83 2khh n GLN 598 N 4.48 -1.77 0.00 4.82 1.13 -1.26 -4.86 117.38 119.92 2khh n GLN 598 Ca 0.06 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2khh n GLN 598 Cb 0.45 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.55 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81