#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x79 h THR 553 N 0.00 0.99 -0.93 6.31 2.02 -2.04 0.19 112.91 119.44 1x79 h THR 553 Ca 0.00 -0.31 0.22 0.00 0.77 0.00 0.00 66.41 67.09 1x79 h THR 553 Cb 0.00 0.01 -0.12 0.00 -1.74 0.00 0.00 68.15 66.30 1x79 h THR 553 CO 0.00 0.16 0.48 0.03 0.37 0.00 0.00 175.52 176.57 1x79 h ARG 554 N 0.90 0.50 0.01 6.66 3.08 -2.05 1.00 114.38 124.48 1x79 h ARG 554 Ca 0.38 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 60.18 1x79 h ARG 554 Cb 0.25 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1x79 h ARG 554 CO -0.20 0.33 -1.08 -0.44 -1.07 0.00 0.00 179.97 177.50 1x79 h ASP 555 N 0.51 0.04 0.46 7.04 5.19 -1.79 -1.23 116.42 126.64 1x79 h ASP 555 Ca 0.58 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.93 1x79 h ASP 555 Cb 1.06 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1x79 h ASP 555 CO -0.48 1.04 -0.44 -0.61 -3.12 0.00 0.00 179.24 175.63 1x79 h GLN 556 N 0.01 -0.86 -0.32 3.56 5.75 0.19 -1.82 115.11 121.62 1x79 h GLN 556 Ca -0.05 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1x79 h GLN 556 Cb 1.81 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 30.50 1x79 h GLN 556 CO 0.13 -0.57 -0.04 0.28 -2.65 0.00 0.00 178.83 175.98 1x79 h VAL 557 N -0.89 0.73 -0.80 2.39 2.07 0.84 -1.84 116.25 118.74 1x79 h VAL 557 Ca -0.06 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1x79 h VAL 557 Cb 0.76 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1x79 h VAL 557 CO -0.04 0.01 0.43 0.50 0.02 0.00 0.00 177.57 178.49 1x79 h LYS 558 N 0.05 0.66 -0.04 1.57 3.64 -1.16 0.80 116.57 122.09 1x79 h LYS 558 Ca 0.15 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.25 1x79 h LYS 558 Cb 0.22 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1x79 h LYS 558 CO -0.29 0.44 -0.95 0.87 -2.27 0.00 0.00 179.45 177.24 1x79 h LYS 559 N 0.68 0.66 -0.44 1.90 1.57 -0.94 -1.36 116.57 118.64 1x79 h LYS 559 Ca 0.41 -0.66 0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1x79 h LYS 559 Cb 0.46 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1x79 h LYS 559 CO -0.29 1.26 0.09 -0.07 -0.57 0.00 0.00 179.45 179.87 1x79 h LEU 560 N 0.39 0.02 -1.54 2.94 3.38 -1.09 0.12 115.31 119.53 1x79 h LEU 560 Ca -0.10 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1x79 h LEU 560 Cb 1.59 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1x79 h LEU 560 CO 0.18 0.04 0.38 1.56 0.09 0.00 0.00 178.44 180.69 1x79 h GLN 561 N 0.23 0.56 -0.21 1.13 4.20 -0.44 0.58 115.11 121.16 1x79 h GLN 561 Ca 0.22 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1x79 h GLN 561 Cb 0.27 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1x79 h GLN 561 CO -0.28 0.37 -0.42 1.25 -0.67 0.00 0.00 178.83 179.08 1x79 h LEU 562 N 0.58 0.74 -0.53 1.46 7.12 -0.55 -2.16 115.31 121.97 1x79 h LEU 562 Ca 0.24 -0.55 0.06 0.00 0.13 0.00 0.00 57.88 57.76 1x79 h LEU 562 Cb 0.21 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 1x79 h LEU 562 CO -0.07 1.15 0.25 0.24 -0.13 0.00 0.00 178.44 179.88 1x79 h MET 563 N 0.36 0.47 -0.52 1.25 2.86 0.11 -1.40 114.93 118.05 1x79 h MET 563 Ca 0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1x79 h MET 563 Cb 1.03 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1x79 h MET 563 CO 0.09 0.31 0.28 1.25 1.06 0.00 0.00 176.91 179.90 1x79 h LEU 564 N 0.48 0.42 -0.78 1.22 5.85 -0.53 0.42 115.31 122.39 1x79 h LEU 564 Ca 0.24 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1x79 h LEU 564 Cb 0.19 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1x79 h LEU 564 CO -0.19 0.29 0.36 -0.09 -0.34 0.00 0.00 178.44 178.48 1x79 h ARG 565 N 0.55 1.14 -0.70 1.25 9.65 -1.02 -0.77 114.38 124.48 1x79 h ARG 565 Ca 0.22 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1x79 h ARG 565 Cb 0.10 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 1x79 h ARG 565 CO -0.14 0.89 0.45 1.96 2.80 0.00 0.00 179.97 185.93 1x79 h GLN 566 N 1.11 0.93 -0.46 0.20 4.20 0.01 0.47 115.11 121.57 1x79 h GLN 566 Ca 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1x79 h GLN 566 Cb 0.14 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1x79 h GLN 566 CO -0.03 0.63 0.18 0.00 -0.67 0.00 0.00 178.83 178.94 1x79 h ALA 567 N 1.24 0.60 -0.25 3.87 0.00 0.19 -0.91 119.26 124.01 1x79 h ALA 567 Ca 0.25 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1x79 h ALA 567 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1x79 h ALA 567 CO -0.05 0.21 -0.09 -0.97 0.00 0.00 0.00 179.25 178.35 1x79 h ASN 568 N 0.60 -0.30 -0.76 0.00 -1.24 -0.66 0.30 115.58 113.53 1x79 h ASN 568 Ca 0.15 0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 1x79 h ASN 568 Cb 0.20 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1x79 h ASN 568 CO -0.01 -0.11 0.31 0.44 -1.29 0.00 0.00 177.43 176.76 1x79 h ASP 569 N -0.04 1.05 0.03 1.15 3.32 -0.69 -1.04 116.42 120.20 1x79 h ASP 569 Ca 0.13 -0.16 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1x79 h ASP 569 Cb 0.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1x79 h ASP 569 CO -0.28 0.93 -0.78 -0.61 -1.72 0.00 0.00 179.24 176.77 1x79 h GLN 570 N 1.11 0.63 -0.69 3.56 4.15 -0.62 -1.65 115.11 121.60 1x79 h GLN 570 Ca 0.26 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1x79 h GLN 570 Cb 0.20 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1x79 h GLN 570 CO -0.02 1.15 0.44 1.25 -1.93 0.00 0.00 178.83 179.71 1x79 h LEU 571 N 0.42 0.80 -0.13 -2.39 6.46 -0.13 0.93 115.31 121.27 1x79 h LEU 571 Ca -0.05 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1x79 h LEU 571 Cb 1.39 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1x79 h LEU 571 CO 0.15 0.60 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.46 1x79 h GLU 572 N 0.94 0.25 -0.41 1.25 4.81 -0.84 -0.30 114.58 120.27 1x79 h GLU 572 Ca 0.25 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1x79 h GLU 572 Cb -0.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1x79 h GLU 572 CO -0.05 0.54 0.11 -0.22 -0.73 0.00 0.00 179.01 178.66 1x79 h LYS 573 N -0.05 0.65 -0.51 1.92 3.64 -1.01 -1.53 116.57 119.67 1x79 h LYS 573 Ca 0.03 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1x79 h LYS 573 Cb 0.44 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1x79 h LYS 573 CO 0.01 0.66 0.19 1.15 -2.27 0.00 0.00 179.45 179.19 1x79 h THR 574 N 0.52 1.19 -0.25 1.00 2.02 -0.66 0.18 112.91 116.92 1x79 h THR 574 Ca 0.13 -0.62 -0.17 0.00 0.77 0.00 0.00 66.41 66.52 1x79 h THR 574 Cb 0.30 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1x79 h THR 574 CO -0.00 0.24 -0.52 0.24 0.37 0.00 0.00 175.52 175.85 1x79 h MET 575 N 0.73 0.71 0.20 6.66 2.86 -0.76 -0.38 114.93 124.96 1x79 h MET 575 Ca 0.17 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1x79 h MET 575 Cb 0.17 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1x79 h MET 575 CO -0.01 1.06 -0.15 -0.22 1.06 0.00 0.00 176.91 178.64 1x79 h LYS 576 N 0.55 -0.35 -0.31 1.72 3.64 -0.58 -2.27 116.57 118.98 1x79 h LYS 576 Ca 0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1x79 h LYS 576 Cb 1.09 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1x79 h LYS 576 CO 0.11 -0.23 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.61 1x79 h ASP 577 N -0.36 -0.14 -0.98 4.20 3.32 -0.53 -1.27 116.42 120.65 1x79 h ASP 577 Ca -0.01 0.07 0.17 0.00 0.02 0.00 0.00 57.03 57.28 1x79 h ASP 577 Cb 0.32 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 1x79 h ASP 577 CO -0.01 -0.03 0.61 0.50 -1.72 0.00 0.00 179.24 178.59 1x79 h LYS 578 N 0.08 0.77 -0.09 3.56 3.64 -0.94 -1.18 116.57 122.41 1x79 h LYS 578 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1x79 h LYS 578 Cb 0.20 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1x79 h LYS 578 CO -0.25 0.51 -0.14 0.37 -2.27 0.00 0.00 179.45 177.67 1x79 h GLN 579 N 0.79 0.24 -0.67 1.90 5.75 -0.69 -1.54 115.11 120.90 1x79 h GLN 579 Ca 0.53 -0.15 0.14 0.00 -0.15 0.00 0.00 58.65 59.02 1x79 h GLN 579 Cb 0.79 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.25 1x79 h GLN 579 CO -0.31 0.72 0.15 0.93 -2.65 0.00 0.00 178.83 177.67 1x79 h GLU 580 N -0.21 0.26 -0.09 1.69 5.08 -0.58 0.39 114.58 121.13 1x79 h GLU 580 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x79 h GLU 580 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1x79 h GLU 580 CO 0.03 0.17 0.06 -0.07 -1.00 0.00 0.00 179.01 178.20 1x79 h LEU 581 N 0.27 0.10 -1.69 1.33 3.38 -1.01 0.23 115.31 117.92 1x79 h LEU 581 Ca 0.37 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1x79 h LEU 581 Cb 0.58 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1x79 h LEU 581 CO -0.46 0.07 0.28 -0.33 0.09 0.00 0.00 178.44 178.10 1x79 h GLU 582 N 0.12 0.38 0.10 1.13 5.08 -0.24 0.15 114.58 121.31 1x79 h GLU 582 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x79 h GLU 582 Cb -0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1x79 h GLU 582 CO -0.01 0.25 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.77 1x79 h ASP 583 N 0.39 -0.11 0.01 1.42 3.32 0.79 -2.10 116.42 120.15 1x79 h ASP 583 Ca 0.18 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1x79 h ASP 583 Cb 0.21 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1x79 h ASP 583 CO -0.04 0.31 -0.13 0.15 -1.72 0.00 0.00 179.24 177.80 1x79 h PHE 584 N -0.55 0.27 0.17 4.55 3.04 -0.02 0.79 116.94 125.18 1x79 h PHE 584 Ca -0.01 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1x79 h PHE 584 Cb 0.45 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1x79 h PHE 584 CO 0.06 0.39 -0.08 0.82 -2.02 0.00 0.00 178.31 177.48 1x79 h ILE 585 N 0.25 0.92 -0.11 1.41 2.04 -0.72 -1.86 117.51 119.43 1x79 h ILE 585 Ca 0.05 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1x79 h ILE 585 Cb 0.39 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1x79 h ILE 585 CO 0.02 0.09 -0.08 0.50 0.00 0.00 0.00 178.15 178.68 1x79 h LYS 586 N -0.41 -0.09 0.25 2.37 3.64 -0.68 0.17 116.57 121.83 1x79 h LYS 586 Ca -0.02 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1x79 h LYS 586 Cb 0.32 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1x79 h LYS 586 CO 0.04 -0.06 -0.28 0.37 -2.27 0.00 0.00 179.45 177.25 1x79 h GLN 587 N -0.09 -0.52 -0.51 1.90 5.75 -0.91 -1.40 115.11 119.32 1x79 h GLN 587 Ca 0.07 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1x79 h GLN 587 Cb 0.20 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1x79 h GLN 587 CO -0.17 -0.35 0.32 0.66 -2.65 0.00 0.00 178.83 176.64 1x79 h SER 588 N -0.54 0.60 -0.38 -0.69 4.64 -1.13 0.29 113.55 116.34 1x79 h SER 588 Ca -0.03 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1x79 h SER 588 Cb 0.48 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1x79 h SER 588 CO -0.05 0.45 0.03 -1.28 -0.87 0.00 0.00 176.83 175.12 1x79 h SER 589 N 0.70 -0.08 -0.46 4.97 0.87 -0.53 -1.74 113.55 117.27 1x79 h SER 589 Ca 0.19 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1x79 h SER 589 Cb -0.05 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1x79 h SER 589 CO -0.04 -0.01 0.10 -0.33 -0.53 0.00 0.00 176.83 176.03 1x79 h GLU 590 N 0.14 0.75 0.00 2.24 5.08 0.65 -2.45 114.58 121.00 1x79 h GLU 590 Ca 0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x79 h GLU 590 Cb 0.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x79 h GLU 590 CO -0.28 0.75 0.00 -0.25 -1.00 0.00 0.00 179.01 178.23 1x79 n ASP 591 N -4.48 0.00 -0.30 1.42 8.00 -0.37 -2.41 116.55 118.40 1x79 n ASP 591 Ca 0.01 0.91 0.22 0.00 0.71 0.00 0.00 54.79 56.64 1x79 n ASP 591 Cb 0.23 -0.41 0.51 0.00 -0.02 0.00 0.00 41.12 41.43 1x79 n ASP 591 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1x79 h SER 592 N 0.00 0.43 -0.66 -2.24 4.64 -1.30 1.53 113.55 115.94 1x79 h SER 592 Ca 0.00 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.50 1x79 h SER 592 Cb 0.00 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.00 1x79 h SER 592 CO 0.00 0.11 0.24 -1.28 -0.87 0.00 0.00 176.83 175.03 1x79 h SER 593 N 0.39 0.21 0.56 4.97 0.87 -1.32 0.23 113.55 119.46 1x79 h SER 593 Ca 0.56 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 61.18 1x79 h SER 593 Cb 1.42 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1x79 h SER 593 CO -0.25 0.11 -0.27 0.45 -0.53 0.00 0.00 176.83 176.34 1x79 h HIS 594 N 0.40 -0.69 -0.82 2.24 -0.00 0.25 -1.47 115.15 115.06 1x79 h HIS 594 Ca 0.34 -0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.82 1x79 h HIS 594 Cb 0.47 0.23 -0.13 0.00 -0.00 0.00 0.00 27.41 27.97 1x79 h HIS 594 CO -0.18 -0.37 -0.32 1.04 -0.00 0.00 0.00 177.93 178.10 1x79 n GLN 595 N -5.29 -0.19 -0.23 2.45 1.13 -0.93 -0.53 117.38 113.79 1x79 n GLN 595 Ca -0.11 1.27 -0.06 0.00 -1.94 0.00 0.00 57.00 56.16 1x79 n GLN 595 Cb 0.33 -1.88 0.04 0.00 0.11 0.00 0.00 30.24 28.84 1x79 n GLN 595 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1x79 h ILE 596 N 0.00 1.17 -0.31 5.09 2.04 -0.42 -0.44 117.51 124.63 1x79 h ILE 596 Ca 0.29 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1x79 h ILE 596 Cb 0.49 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1x79 h ILE 596 CO -0.82 0.16 0.07 0.28 0.00 0.00 0.00 178.15 177.85 1x79 h SER 597 N 0.87 0.03 0.25 1.72 0.02 0.30 0.24 113.55 116.98 1x79 h SER 597 Ca 0.23 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1x79 h SER 597 Cb -0.09 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1x79 h SER 597 CO -0.05 0.05 -0.37 0.00 -1.14 0.00 0.00 176.83 175.32 1x79 h ALA 598 N 1.22 -0.97 -0.95 3.77 0.00 -1.02 -0.48 119.26 120.83 1x79 h ALA 598 Ca 0.14 -0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.24 1x79 h ALA 598 Cb 0.15 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 1x79 h ALA 598 CO -0.18 -1.03 0.32 -0.07 0.00 0.00 0.00 179.25 178.29 1x79 h LEU 599 N -0.65 0.06 -0.41 0.00 3.38 -0.56 0.35 115.31 117.48 1x79 h LEU 599 Ca -0.03 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1x79 h LEU 599 Cb 0.60 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1x79 h LEU 599 CO -0.11 -0.25 0.03 0.58 0.09 0.00 0.00 178.44 178.77 1x79 h VAL 600 N 0.14 1.25 -0.40 1.22 2.07 -0.17 0.16 116.25 120.53 1x79 h VAL 600 Ca 0.66 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1x79 h VAL 600 Cb 1.48 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1x79 h VAL 600 CO -0.73 0.33 0.24 -0.07 0.02 0.00 0.00 177.57 177.36 1x79 h LEU 601 N 0.54 0.39 -0.02 2.57 3.38 0.13 -1.03 115.31 121.27 1x79 h LEU 601 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1x79 h LEU 601 Cb 0.43 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x79 h LEU 601 CO 0.02 0.28 0.01 0.03 0.09 0.00 0.00 178.44 178.87 1x79 h ARG 602 N 0.49 0.03 -0.99 1.13 2.47 -0.82 -1.36 114.38 115.32 1x79 h ARG 602 Ca 0.16 -0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.10 1x79 h ARG 602 Cb -0.00 -0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.22 1x79 h ARG 602 CO -0.07 0.10 0.63 0.00 0.56 0.00 0.00 179.97 181.19 1x79 h ALA 603 N 0.92 1.99 -0.10 0.04 0.00 -0.33 -0.56 119.26 121.22 1x79 h ALA 603 Ca 0.01 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1x79 h ALA 603 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1x79 h ALA 603 CO -0.00 -0.36 -0.58 1.96 0.00 0.00 0.00 179.25 180.27 1x79 h GLN 604 N 0.55 0.56 -0.89 0.00 4.20 -0.61 -1.41 115.11 117.52 1x79 h GLN 604 Ca 0.57 -0.48 0.19 0.00 0.06 0.00 0.00 58.65 58.99 1x79 h GLN 604 Cb 1.19 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 29.00 1x79 h GLN 604 CO -0.32 1.10 0.59 0.00 -0.67 0.00 0.00 178.83 179.54 1x79 h ALA 605 N 0.47 2.14 -0.35 3.87 0.00 -0.36 -1.38 119.26 123.65 1x79 h ALA 605 Ca -0.05 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1x79 h ALA 605 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x79 h ALA 605 CO 0.12 -0.41 -0.43 0.77 0.00 0.00 0.00 179.25 179.29 1x79 h SER 606 N 0.45 0.98 -0.38 0.00 0.02 -0.64 -1.70 113.55 112.29 1x79 h SER 606 Ca 0.46 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1x79 h SER 606 Cb 1.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1x79 h SER 606 CO -0.18 1.27 0.23 -0.08 -1.14 0.00 0.00 176.83 176.93 1x79 h GLU 607 N 0.71 0.45 0.09 3.45 4.81 -0.22 -1.28 114.58 122.59 1x79 h GLU 607 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1x79 h GLU 607 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1x79 h GLU 607 CO 0.10 0.30 -0.09 0.82 -0.73 0.00 0.00 179.01 179.41 1x79 h ILE 608 N 0.47 0.79 -0.48 2.32 2.04 -1.21 -0.18 117.51 121.27 1x79 h ILE 608 Ca 0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.10 1x79 h ILE 608 Cb -0.01 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1x79 h ILE 608 CO -0.06 0.00 -0.00 0.25 0.00 0.00 0.00 178.15 178.34 1x79 h LEU 609 N -0.20 -0.20 -1.15 1.44 5.85 -1.20 -0.88 115.31 118.97 1x79 h LEU 609 Ca 0.01 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1x79 h LEU 609 Cb 0.19 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1x79 h LEU 609 CO -0.03 -0.07 0.58 -0.07 -0.34 0.00 0.00 178.44 178.52 1x79 h LEU 610 N 0.11 0.94 -1.12 2.25 4.07 -0.69 -1.00 115.31 119.87 1x79 h LEU 610 Ca 0.24 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 1x79 h LEU 610 Cb 0.36 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1x79 h LEU 610 CO -0.40 0.63 -0.42 -0.33 -1.08 0.00 0.00 178.44 176.84 1x79 h GLU 611 N 1.08 0.04 0.00 1.13 5.08 0.25 -0.68 114.58 121.48 1x79 h GLU 611 Ca 0.36 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1x79 h GLU 611 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1x79 h GLU 611 CO -0.12 0.46 -0.47 0.93 -1.00 0.00 0.00 179.01 178.81 1x79 h GLU 612 N 0.04 0.00 0.00 2.33 5.08 -0.10 -2.42 114.58 119.50 1x79 h GLU 612 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1x79 h GLU 612 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1x79 h GLU 612 CO 0.06 0.47 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.73 1x79 h LEU 613 N 0.00 0.00 -0.83 1.33 3.38 -0.10 -2.12 115.31 116.97 1x79 h LEU 613 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1x79 h LEU 613 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1x79 h LEU 613 CO 0.06 0.73 -0.13 1.56 0.09 0.00 0.00 178.44 180.75 1x79 h GLN 614 N 0.00 0.73 -0.16 1.13 4.20 -0.73 0.14 115.11 120.41 1x79 h GLN 614 Ca -0.01 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1x79 h GLN 614 Cb 1.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 1x79 h GLN 614 CO 0.09 0.83 0.01 1.96 -0.67 0.00 0.00 178.83 181.05 1x79 h GLN 615 N 0.66 0.28 -0.24 1.46 4.20 -1.27 -1.23 115.11 118.97 1x79 h GLN 615 Ca 0.11 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1x79 h GLN 615 Cb 0.60 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.29 1x79 h GLN 615 CO 0.04 0.49 -0.16 0.78 -0.67 0.00 0.00 178.83 179.31 1x79 h GLY 616 N 0.03 0.00 1.23 3.46 0.00 -1.07 -1.99 103.07 104.73 1x79 h GLY 616 Ca 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1x79 h GLY 616 CO 0.01 -0.17 0.43 -2.00 0.00 0.00 0.00 176.54 174.81 1x79 h LEU 617 N -0.15 0.91 -0.94 3.11 5.85 -0.60 -0.65 115.31 122.83 1x79 h LEU 617 Ca 0.13 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1x79 h LEU 617 Cb 0.36 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1x79 h LEU 617 CO -0.33 0.71 0.62 0.28 -0.34 0.00 0.00 178.44 179.38 1x79 h SER 618 N 1.04 1.07 0.47 1.25 0.02 -0.84 0.34 113.55 116.90 1x79 h SER 618 Ca 0.27 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 1x79 h SER 618 Cb -0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1x79 h SER 618 CO -0.05 0.77 -0.51 -0.61 -1.14 0.00 0.00 176.83 175.29 1x79 h GLN 619 N 1.26 0.05 -0.14 3.45 5.75 -0.76 -2.00 115.11 122.72 1x79 h GLN 619 Ca 0.35 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.70 1x79 h GLN 619 Cb -0.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1x79 h GLN 619 CO -0.08 0.55 -0.45 0.00 -2.65 0.00 0.00 178.83 176.20 1x79 h ALA 620 N 1.44 0.96 -0.04 3.38 0.00 0.42 0.16 119.26 125.59 1x79 h ALA 620 Ca -0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 1x79 h ALA 620 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x79 h ALA 620 CO 0.07 0.64 -0.88 -0.22 0.00 0.00 0.00 179.25 178.86 1x79 h LYS 621 N 0.29 0.48 -0.11 0.00 3.64 -0.70 -2.70 116.57 117.47 1x79 h LYS 621 Ca 0.02 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1x79 h LYS 621 Cb 0.91 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1x79 h LYS 621 CO 0.08 1.11 -0.04 0.00 -2.27 0.00 0.00 179.45 178.33 1x79 h ARG 622 N 0.30 -0.02 -0.75 1.90 3.08 -1.11 -1.16 114.38 116.62 1x79 h ARG 622 Ca -0.07 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.09 1x79 h ARG 622 Cb 1.50 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.43 1x79 h ARG 622 CO 0.16 -0.01 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.17 1x79 h ASP 623 N -0.02 -1.53 -0.80 7.04 3.32 -0.87 0.74 116.42 124.30 1x79 h ASP 623 Ca 0.06 0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.40 1x79 h ASP 623 Cb 0.10 0.73 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1x79 h ASP 623 CO -0.12 -0.31 0.53 0.58 -1.72 0.00 0.00 179.24 178.20 1x79 h VAL 624 N -0.13 1.18 -0.46 -1.35 2.07 -1.18 -1.72 116.25 114.66 1x79 h VAL 624 Ca 0.23 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1x79 h VAL 624 Cb 0.55 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1x79 h VAL 624 CO -0.80 0.19 -0.20 1.56 0.02 0.00 0.00 177.57 178.34 1x79 h GLN 625 N 1.05 0.92 -0.49 1.57 4.20 0.27 -1.39 115.11 121.24 1x79 h GLN 625 Ca 0.30 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1x79 h GLN 625 Cb -0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1x79 h GLN 625 CO -0.08 1.03 0.14 0.93 -0.67 0.00 0.00 178.83 180.19 1x79 h GLU 626 N 0.80 0.77 -0.65 1.46 4.39 -0.58 0.08 114.58 120.84 1x79 h GLU 626 Ca 0.11 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1x79 h GLU 626 Cb 0.76 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1x79 h GLU 626 CO 0.06 0.74 0.30 0.37 -1.16 0.00 0.00 179.01 179.32 1x79 h GLN 627 N 0.67 0.95 -0.44 2.33 5.75 -1.14 -1.05 115.11 122.18 1x79 h GLN 627 Ca 0.16 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 1x79 h GLN 627 Cb 0.30 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1x79 h GLN 627 CO -0.00 0.77 0.06 1.98 -2.65 0.00 0.00 178.83 178.98 1x79 h MET 628 N 0.90 0.74 -0.52 1.69 4.05 -0.97 -1.44 114.93 119.38 1x79 h MET 628 Ca 0.22 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1x79 h MET 628 Cb 0.14 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1x79 h MET 628 CO -0.03 0.77 0.26 0.00 0.23 0.00 0.00 176.91 178.15 1x79 h ALA 629 N 0.93 1.48 0.72 0.39 0.00 -0.13 0.37 119.26 123.02 1x79 h ALA 629 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x79 h ALA 629 Cb 0.40 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x79 h ALA 629 CO 0.01 0.42 -0.35 0.28 0.00 0.00 0.00 179.25 179.61 1x79 h VAL 630 N 0.73 0.00 -1.02 0.00 2.07 -0.99 -2.25 116.25 114.79 1x79 h VAL 630 Ca 0.18 -0.29 0.34 0.00 0.82 0.00 0.00 66.70 67.76 1x79 h VAL 630 Cb 0.06 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.68 1x79 h VAL 630 CO -0.03 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.08 1x79 h LEU 631 N -1.25 0.48 0.03 2.57 3.38 -0.84 0.62 115.31 120.30 1x79 h LEU 631 Ca -0.10 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x79 h LEU 631 Cb 0.74 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1x79 h LEU 631 CO 0.16 -0.17 -0.02 0.24 0.09 0.00 0.00 178.44 178.75 1x79 h MET 632 N 0.27 -0.04 -0.92 1.13 2.86 -0.94 -2.40 114.93 114.89 1x79 h MET 632 Ca 0.75 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.56 1x79 h MET 632 Cb 1.79 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 33.30 1x79 h MET 632 CO -0.61 0.10 -0.28 0.94 1.06 0.00 0.00 176.91 178.12 1x79 n GLN 633 N -4.79 -0.13 0.12 1.72 0.00 -0.85 -0.35 117.38 113.10 1x79 n GLN 633 Ca -0.02 1.43 0.11 0.00 -0.00 0.00 0.00 57.00 58.53 1x79 n GLN 633 Cb 0.08 -2.14 0.47 0.00 0.00 0.00 0.00 30.24 28.66 1x79 n GLN 633 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1x79 n SER 634 N -5.45 0.59 0.05 1.69 3.41 0.22 -2.20 113.62 111.92 1x79 n SER 634 Ca 0.13 0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 59.19 1x79 n SER 634 Cb 0.43 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.46 1x79 n SER 634 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1x79 h ARG 635 N 0.00 0.31 -0.39 4.33 2.43 -0.16 -3.24 114.38 117.67 1x79 h ARG 635 Ca 0.00 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 1x79 h ARG 635 Cb 0.33 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1x79 h ARG 635 CO 0.00 1.20 0.09 0.93 -1.51 0.00 0.00 179.97 180.68 1x79 h GLU 636 N 0.08 0.58 0.00 0.20 4.39 -1.03 -2.77 114.58 116.03 1x79 h GLU 636 Ca -0.34 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1x79 h GLU 636 Cb 2.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1x79 h GLU 636 CO 0.15 0.54 -0.06 0.37 -1.16 0.00 0.00 179.01 178.85 1x79 h GLN 637 N 0.57 0.00 0.00 2.33 -0.00 -1.55 -0.62 115.11 115.84 1x79 h GLN 637 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.60 1x79 h GLN 637 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 1x79 h GLN 637 CO -0.00 0.00 -0.87 -0.39 0.00 0.00 0.00 178.83 177.57 1x79 h VAL 638 N 0.00 1.55 -0.56 2.39 -1.51 -1.52 -3.15 116.25 113.46 1x79 h VAL 638 Ca 0.00 -3.04 -0.06 0.00 -1.23 0.00 0.00 66.70 62.37 1x79 h VAL 638 Cb 0.99 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.79 1x79 h VAL 638 CO 0.00 0.85 0.12 -1.28 -1.23 0.00 0.00 177.57 176.03 1x79 h SER 639 N 0.00 0.88 -0.08 4.19 0.87 -1.19 -3.06 113.55 115.16 1x79 h SER 639 Ca -0.01 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 1x79 h SER 639 Cb 1.60 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 63.28 1x79 h SER 639 CO 0.11 0.90 -0.13 -0.62 -0.53 0.00 0.00 176.83 176.56 1x79 n GLU 640 N -4.37 1.56 0.00 2.24 1.02 -0.30 -5.12 120.64 115.67 1x79 n GLU 640 Ca 0.02 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1x79 n GLU 640 Cb 0.25 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1x79 n GLU 640 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70