#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itu h ASP 580 N 0.00 0.60 -0.87 1.67 3.58 -2.06 -1.53 116.42 117.81 3itu h ASP 580 Ca 0.00 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 3itu h ASP 580 Cb 0.00 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3itu h ASP 580 CO 0.00 0.94 0.50 -0.33 -2.88 0.00 0.00 179.24 177.47 3itu h GLU 581 N 0.46 1.20 0.14 0.28 5.08 -2.04 -2.08 114.58 117.62 3itu h GLU 581 Ca 0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3itu h GLU 581 Cb 0.92 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3itu h GLU 581 CO 0.08 0.86 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.90 3itu h TYR 582 N 1.21 -0.34 -0.91 4.33 3.20 -1.91 0.23 116.97 122.79 3itu h TYR 582 Ca 0.31 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.31 3itu h TYR 582 Cb -0.01 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 3itu h TYR 582 CO 0.00 -0.20 0.53 1.15 -1.64 0.00 0.00 178.16 178.00 3itu h THR 583 N -0.29 0.85 -0.01 1.81 2.02 -0.91 0.14 112.91 116.53 3itu h THR 583 Ca 0.00 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 66.68 3itu h THR 583 Cb 0.28 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3itu h THR 583 CO -0.03 0.15 -0.92 0.11 0.37 0.00 0.00 175.52 175.19 3itu h LYS 584 N 0.82 0.41 0.00 6.66 1.57 -1.10 -1.23 116.57 123.69 3itu h LYS 584 Ca 0.46 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3itu h LYS 584 Cb 0.52 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3itu h LYS 584 CO -0.29 1.09 -0.34 1.25 -0.57 0.00 0.00 179.45 180.59 3itu h LEU 585 N 0.23 0.00 0.07 2.94 5.85 0.15 -1.41 115.31 123.14 3itu h LEU 585 Ca -0.07 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.40 3itu h LEU 585 Cb 1.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 3itu h LEU 585 CO 0.16 0.34 -1.29 0.25 -0.34 0.00 0.00 178.44 177.56 3itu h LEU 586 N 0.00 0.23 0.00 2.25 5.85 -0.68 -3.40 115.31 119.55 3itu h LEU 586 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3itu h LEU 586 Cb 0.66 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3itu h LEU 586 CO 0.04 1.54 -1.49 1.41 -0.34 0.00 0.00 178.44 179.61 3itu n HIS 587 N -4.10 0.28 0.27 1.25 8.25 -0.47 -4.30 115.22 116.39 3itu n HIS 587 Ca -0.26 0.08 0.15 0.00 -0.26 0.00 0.00 57.72 57.43 3itu n HIS 587 Cb 0.81 -0.55 0.50 0.00 1.12 0.00 0.00 29.99 31.86 3itu n HIS 587 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3itu h ASP 588 N 0.00 0.00 -4.95 0.41 3.32 -1.45 -3.50 116.42 110.26 3itu h ASP 588 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3itu h ASP 588 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3itu h ASP 588 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3itu n GLY 589 N 0.43 1.96 3.60 2.75 0.00 -1.26 -4.96 105.19 107.71 3itu n GLY 589 Ca 0.02 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3itu n GLY 589 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itu s ILE 590 N -2.50 4.81 0.40 -0.61 1.01 -1.26 -4.98 121.20 118.07 3itu s ILE 590 Ca 0.00 1.02 -0.27 0.00 0.00 0.00 0.00 60.65 61.40 3itu s ILE 590 Cb 0.00 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 3itu s ILE 590 CO 0.00 -0.27 1.48 -1.58 0.00 0.00 0.00 174.94 174.56 3itu s GLN 591 N 2.91 4.00 0.23 2.79 0.74 -1.26 -4.91 119.66 124.17 3itu s GLN 591 Ca 0.30 2.55 -0.32 0.00 0.05 0.00 0.00 55.36 57.95 3itu s GLN 591 Cb -0.14 -2.89 -0.13 0.00 1.10 0.00 0.00 33.01 30.95 3itu s GLN 591 CO 0.13 -0.61 1.50 -2.30 -0.55 0.00 0.00 175.29 173.47 3itu n PRO 592 N 0.29 2.26 0.10 1.67 -0.02 -1.26 -4.60 135.00 133.44 3itu n PRO 592 Ca 0.02 0.81 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3itu n PRO 592 Cb 0.40 -2.53 0.65 0.00 -0.02 0.00 0.00 33.50 32.00 3itu n PRO 592 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3itu h VAL 593 N 3.28 0.86 0.00 -1.45 3.04 -1.91 -0.86 116.25 119.21 3itu h VAL 593 Ca -0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3itu h VAL 593 Cb 1.25 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3itu h VAL 593 CO 0.80 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 177.37 3itu n ALA 594 N -2.59 1.71 0.76 3.17 0.00 -1.26 -1.61 120.51 120.70 3itu n ALA 594 Ca 0.04 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3itu n ALA 594 Cb 0.37 -1.37 0.50 0.00 0.00 0.00 0.00 19.45 18.94 3itu n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itu n ALA 595 N -1.73 2.22 -0.04 0.00 0.00 -0.33 -3.70 120.51 116.93 3itu n ALA 595 Ca 0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 3itu n ALA 595 Cb 0.24 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 3itu n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3itu h ILE 596 N 0.00 1.40 -1.40 0.00 2.04 -1.42 -3.47 117.51 114.66 3itu h ILE 596 Ca 0.00 -1.63 0.12 0.00 1.00 0.00 0.00 64.86 64.35 3itu h ILE 596 Cb 0.58 2.18 -0.28 0.00 -0.74 0.00 0.00 36.82 38.56 3itu h ILE 596 CO 0.00 0.47 0.63 -0.62 0.00 0.00 0.00 178.15 178.64 3itu s ASP 597 N -6.36 -0.29 0.63 1.72 2.15 -1.24 -5.00 116.67 108.27 3itu s ASP 597 Ca -0.14 0.50 0.38 0.00 0.43 0.00 0.00 52.55 53.72 3itu s ASP 597 Cb 0.04 0.48 2.11 0.00 -0.30 0.00 0.00 42.92 45.26 3itu s ASP 597 CO 0.78 -0.14 2.29 0.77 -0.17 0.00 0.00 175.17 178.70 3itu h SER 598 N 3.40 0.00 -0.30 -0.34 4.64 -1.91 -1.11 113.55 117.92 3itu h SER 598 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3itu h SER 598 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3itu h SER 598 CO 0.18 0.01 0.00 -3.20 -0.87 0.00 0.00 176.83 172.95 3itu n ASN 599 N -3.35 3.19 0.10 4.97 5.15 -1.26 -4.75 115.26 119.31 3itu n ASN 599 Ca -0.03 -2.34 0.17 0.00 -0.60 0.00 0.00 54.58 51.79 3itu n ASN 599 Cb 0.10 -0.32 0.71 0.00 -0.53 0.00 0.00 39.78 39.74 3itu n ASN 599 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3itu h PHE 600 N 1.85 0.00 -0.52 1.20 3.57 -1.56 -2.04 116.94 119.43 3itu h PHE 600 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3itu h PHE 600 Cb 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3itu h PHE 600 CO 0.30 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 3itu n ALA 601 N -2.54 2.92 -2.84 2.41 0.00 -1.26 -4.90 120.51 114.29 3itu n ALA 601 Ca 0.05 -1.66 -0.37 0.00 0.00 0.00 0.00 53.44 51.46 3itu n ALA 601 Cb 0.45 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 3itu n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3itu s SER 602 N -1.12 6.43 0.62 0.00 0.15 -0.77 -4.81 113.70 114.20 3itu s SER 602 Ca 0.44 0.51 0.28 0.00 0.70 0.00 0.00 55.95 57.88 3itu s SER 602 Cb 0.30 -2.08 1.41 0.00 -1.71 0.00 0.00 66.02 63.93 3itu s SER 602 CO 0.20 0.39 1.81 -0.26 1.20 0.00 0.00 173.24 176.58 3itu h PHE 603 N 4.85 0.00 -0.00 3.44 0.04 -1.92 -0.39 116.94 122.95 3itu h PHE 603 Ca -0.54 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.23 3itu h PHE 603 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3itu h PHE 603 CO 0.75 0.00 -0.21 0.25 -0.60 0.00 0.00 178.31 178.49 3itu n THR 604 N -3.38 0.00 -2.40 -1.55 -2.24 -1.26 -4.85 114.28 98.60 3itu n THR 604 Ca 0.06 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 3itu n THR 604 Cb 0.67 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3itu n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3itu s TYR 605 N -2.91 3.46 -0.52 4.78 5.04 -0.16 -4.94 117.35 122.10 3itu s TYR 605 Ca 0.15 1.64 -0.10 0.00 -2.44 0.00 0.00 57.07 56.32 3itu s TYR 605 Cb 0.19 -3.36 0.13 0.00 0.35 0.00 0.00 41.96 39.27 3itu s TYR 605 CO 0.59 -0.82 0.41 0.95 -1.34 0.00 0.00 175.55 175.34 3itu s THR 606 N -1.17 4.44 0.64 4.34 -4.23 -1.26 -4.95 115.64 113.44 3itu s THR 606 Ca 0.46 -1.90 0.40 0.00 -1.18 0.00 0.00 61.69 59.47 3itu s THR 606 Cb -0.33 -3.89 0.42 0.00 1.34 0.00 0.00 72.50 70.04 3itu s THR 606 CO 0.43 -0.82 2.34 1.55 -0.54 0.00 0.00 174.62 177.57 3itu h PRO 607 N 8.34 0.00 0.00 3.99 0.13 -1.94 -0.58 132.00 141.94 3itu h PRO 607 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3itu h PRO 607 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3itu h PRO 607 CO 0.87 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 3itu n ARG 608 N -3.33 0.13 0.17 0.86 1.74 -1.26 -1.20 116.66 113.77 3itu n ARG 608 Ca -0.03 0.61 0.01 0.00 -0.77 0.00 0.00 57.85 57.67 3itu n ARG 608 Cb 0.08 -1.91 0.30 0.00 -1.02 0.00 0.00 32.46 29.91 3itu n ARG 608 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3itu h SER 609 N 0.00 0.01 -2.72 0.55 0.02 -1.53 -3.44 113.55 106.44 3itu h SER 609 Ca 0.00 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3itu h SER 609 Cb 0.03 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.59 3itu h SER 609 CO 0.00 0.45 0.97 -0.22 -1.14 0.00 0.00 176.83 176.89 3itu s LEU 610 N -8.04 4.37 0.41 5.07 2.96 -0.34 -4.96 118.68 118.15 3itu s LEU 610 Ca -0.02 2.52 -0.26 0.00 -0.22 0.00 0.00 54.13 56.15 3itu s LEU 610 Cb 0.14 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.16 3itu s LEU 610 CO 0.74 -0.87 1.26 -2.65 -1.32 0.00 0.00 176.35 173.51 3itu n PRO 611 N 5.19 1.93 -0.15 0.98 -0.02 -1.26 -4.85 135.00 136.82 3itu n PRO 611 Ca 0.15 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 3itu n PRO 611 Cb 0.40 -2.37 0.47 0.00 -0.02 0.00 0.00 33.50 31.98 3itu n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3itu h GLU 612 N 2.10 0.47 0.00 -0.52 4.81 -1.93 0.21 114.58 119.72 3itu h GLU 612 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3itu h GLU 612 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3itu h GLU 612 CO 0.60 0.31 0.00 -0.44 -0.73 0.00 0.00 179.01 178.75 3itu h ASP 613 N 0.48 0.00 0.09 1.04 3.32 -2.03 -2.38 116.42 116.94 3itu h ASP 613 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3itu h ASP 613 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3itu h ASP 613 CO -0.11 0.00 -0.26 0.47 -1.72 0.00 0.00 179.24 177.62 3itu n ASP 614 N -2.33 1.63 0.09 6.45 8.00 0.06 -4.66 116.55 125.78 3itu n ASP 614 Ca 0.02 -1.30 -0.22 0.00 0.71 0.00 0.00 54.79 54.00 3itu n ASP 614 Cb 0.26 0.21 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 3itu n ASP 614 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3itu h THR 615 N 2.14 1.30 -0.78 -3.53 1.35 -1.44 -2.01 112.91 109.93 3itu h THR 615 Ca 0.00 -2.44 0.03 0.00 -0.55 0.00 0.00 66.41 63.45 3itu h THR 615 Cb 0.64 2.72 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 3itu h THR 615 CO 0.00 0.74 0.50 0.28 -0.25 0.00 0.00 175.52 176.79 3itu h SER 616 N 0.22 0.82 -0.51 5.36 0.02 -1.83 -0.11 113.55 117.51 3itu h SER 616 Ca -0.18 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 3itu h SER 616 Cb 1.88 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.22 3itu h SER 616 CO 0.23 0.56 -0.03 -0.03 -1.14 0.00 0.00 176.83 176.42 3itu h MET 617 N 0.97 0.96 -0.67 3.45 -1.53 -1.87 -1.88 114.93 114.36 3itu h MET 617 Ca 0.32 -0.30 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 3itu h MET 617 Cb 0.03 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 3itu h MET 617 CO -0.12 0.97 0.44 0.00 0.14 0.00 0.00 176.91 178.34 3itu h ALA 618 N 1.08 1.51 0.16 0.39 0.00 -0.53 0.63 119.26 122.50 3itu h ALA 618 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3itu h ALA 618 Cb 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3itu h ALA 618 CO 0.03 0.45 -0.08 0.82 0.00 0.00 0.00 179.25 180.47 3itu h ILE 619 N 0.91 0.86 -0.95 0.00 1.08 -0.49 -1.36 117.51 117.56 3itu h ILE 619 Ca 0.25 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 3itu h ILE 619 Cb -0.10 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 3itu h ILE 619 CO -0.05 0.02 0.63 -0.07 -0.69 0.00 0.00 178.15 177.99 3itu h LEU 620 N -0.26 1.09 -0.48 1.44 3.38 -0.56 -0.76 115.31 119.15 3itu h LEU 620 Ca -0.02 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3itu h LEU 620 Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3itu h LEU 620 CO 0.04 0.79 0.25 0.28 0.09 0.00 0.00 178.44 179.88 3itu h SER 621 N 1.28 0.36 -0.29 -0.43 0.02 -0.74 0.24 113.55 114.00 3itu h SER 621 Ca 0.35 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 3itu h SER 621 Cb -0.14 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3itu h SER 621 CO -0.08 0.25 0.07 0.24 -1.14 0.00 0.00 176.83 176.18 3itu h MET 622 N 0.49 0.46 -0.92 3.45 2.86 -0.83 -1.03 114.93 119.41 3itu h MET 622 Ca 0.21 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3itu h MET 622 Cb 0.10 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3itu h MET 622 CO -0.14 0.54 0.60 -0.07 1.06 0.00 0.00 176.91 178.90 3itu h LEU 623 N 0.30 1.06 -0.34 1.22 3.38 -0.73 -0.76 115.31 119.45 3itu h LEU 623 Ca 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3itu h LEU 623 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3itu h LEU 623 CO 0.00 0.78 0.09 -0.61 0.09 0.00 0.00 178.44 178.79 3itu h GLN 624 N 1.25 0.54 0.00 1.13 5.75 -0.41 -1.79 115.11 121.57 3itu h GLN 624 Ca 0.34 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3itu h GLN 624 Cb -0.13 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 3itu h GLN 624 CO -0.07 0.59 -0.28 0.22 -2.65 0.00 0.00 178.83 176.64 3itu h ASP 625 N 0.39 0.00 0.06 -0.69 3.58 -0.61 0.12 116.42 119.27 3itu h ASP 625 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3itu h ASP 625 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3itu h ASP 625 CO 0.00 0.28 -0.00 0.23 -2.88 0.00 0.00 179.24 176.87 3itu n MET 626 N -3.88 1.00 -1.10 0.28 2.81 -0.34 -4.91 117.12 110.99 3itu n MET 626 Ca -0.02 -0.10 -0.03 0.00 -1.81 0.00 0.00 57.70 55.74 3itu n MET 626 Cb 0.36 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.36 3itu n MET 626 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3itu n ASN 627 N -0.91 -4.72 0.18 7.83 4.13 0.42 -4.90 115.26 117.29 3itu n ASN 627 Ca 0.22 0.09 0.03 0.00 1.68 0.00 0.00 54.58 56.60 3itu n ASN 627 Cb 0.15 -2.52 0.35 0.00 -1.54 0.00 0.00 39.78 36.22 3itu n ASN 627 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3itu h PHE 628 N 0.00 0.00 0.04 3.10 0.04 -1.54 0.32 116.94 118.90 3itu h PHE 628 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3itu h PHE 628 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 3itu h PHE 628 CO 0.37 0.39 -0.02 0.82 -0.60 0.00 0.00 178.31 179.27 3itu h ILE 629 N 0.00 1.18 -0.26 -0.55 2.04 -1.87 -1.44 117.51 116.61 3itu h ILE 629 Ca -0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3itu h ILE 629 Cb 0.73 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3itu h ILE 629 CO 0.05 0.18 -0.02 0.78 0.00 0.00 0.00 178.15 179.14 3itu h ASN 630 N -0.38 0.47 -0.67 1.72 2.35 -1.90 -0.37 115.58 116.80 3itu h ASN 630 Ca -0.01 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 3itu h ASN 630 Cb 0.34 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3itu h ASN 630 CO 0.01 0.68 0.32 -1.13 -1.65 0.00 0.00 177.43 175.66 3itu h ASN 631 N 0.24 0.89 -0.58 5.81 -1.24 -0.86 -2.47 115.58 117.37 3itu h ASN 631 Ca 0.07 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3itu h ASN 631 Cb 0.46 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3itu h ASN 631 CO 0.02 0.77 0.00 -1.22 -1.29 0.00 0.00 177.43 175.71 3itu n TYR 632 N -4.45 0.76 -3.93 0.67 4.01 -0.55 -4.96 117.16 108.70 3itu n TYR 632 Ca 0.05 -0.38 -0.26 0.00 -0.16 0.00 0.00 57.90 57.14 3itu n TYR 632 Cb 0.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3itu n TYR 632 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3itu n LYS 633 N 1.59 -3.85 -2.29 -0.72 4.76 -0.50 -4.87 118.16 112.29 3itu n LYS 633 Ca 0.22 0.47 -0.41 0.00 -2.87 0.00 0.00 58.31 55.72 3itu n LYS 633 Cb 0.62 -4.84 -0.03 0.00 -1.84 0.00 0.00 35.03 28.94 3itu n LYS 633 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3itu s ILE 634 N -3.75 3.35 0.02 -0.18 -1.09 -0.27 -4.95 121.20 114.33 3itu s ILE 634 Ca 0.17 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 3itu s ILE 634 Cb -0.09 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3itu s ILE 634 CO 0.87 0.18 1.44 -0.62 -1.23 0.00 0.00 174.94 175.58 3itu s ASP 635 N 0.18 6.81 0.10 3.58 2.15 -1.26 -4.91 116.67 123.32 3itu s ASP 635 Ca 0.54 2.19 -0.25 0.00 0.43 0.00 0.00 52.55 55.46 3itu s ASP 635 Cb -0.35 -2.56 -0.11 0.00 -0.30 0.00 0.00 42.92 39.59 3itu s ASP 635 CO 0.38 -0.74 1.68 0.00 -0.17 0.00 0.00 175.17 176.33 3itu h PRO 637 N -0.30 0.79 -0.34 0.00 0.11 -1.95 -0.58 132.00 129.73 3itu h PRO 637 Ca 0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3itu h PRO 637 Cb 0.30 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3itu h PRO 637 CO -0.05 0.52 0.05 1.15 -0.21 0.00 0.00 178.00 179.45 3itu h THR 638 N 0.81 1.24 -0.88 -1.15 2.02 -1.65 -1.72 112.91 111.58 3itu h THR 638 Ca 0.37 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3itu h THR 638 Cb 0.27 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3itu h THR 638 CO -0.21 0.28 0.47 0.25 0.37 0.00 0.00 175.52 176.68 3itu h LEU 639 N 0.40 1.12 -0.43 2.58 5.85 -0.35 0.15 115.31 124.62 3itu h LEU 639 Ca 0.10 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3itu h LEU 639 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3itu h LEU 639 CO 0.01 0.91 0.09 0.00 -0.34 0.00 0.00 178.44 179.11 3itu h ALA 640 N 1.27 0.57 -0.35 1.25 0.00 -0.92 -0.47 119.26 120.61 3itu h ALA 640 Ca 0.31 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3itu h ALA 640 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3itu h ALA 640 CO -0.05 0.27 0.21 0.00 0.00 0.00 0.00 179.25 179.68 3itu h ARG 641 N 0.57 0.41 -0.18 0.00 3.08 -1.00 -2.29 114.38 114.97 3itu h ARG 641 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3itu h ARG 641 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3itu h ARG 641 CO 0.00 0.27 0.12 0.35 -1.07 0.00 0.00 179.97 179.64 3itu h PHE 642 N 0.42 0.22 -0.72 3.04 3.57 -0.42 0.27 116.94 123.31 3itu h PHE 642 Ca 0.14 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3itu h PHE 642 Cb 0.00 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 3itu h PHE 642 CO -0.07 0.14 0.46 0.00 -2.23 0.00 0.00 178.31 176.60 3itu h LEU 644 N 0.90 0.49 -0.39 0.00 3.38 -0.94 -1.95 115.31 116.80 3itu h LEU 644 Ca 0.29 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3itu h LEU 644 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3itu h LEU 644 CO -0.10 0.87 -0.25 0.24 0.09 0.00 0.00 178.44 179.29 3itu h MET 645 N 0.37 0.86 -0.34 1.13 2.86 0.18 0.06 114.93 120.04 3itu h MET 645 Ca 0.02 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3itu h MET 645 Cb 0.94 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3itu h MET 645 CO 0.08 1.05 0.20 0.28 1.06 0.00 0.00 176.91 179.58 3itu h VAL 646 N 0.67 1.04 -0.31 -2.22 2.07 -1.00 -1.18 116.25 115.32 3itu h VAL 646 Ca 0.08 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3itu h VAL 646 Cb 0.82 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3itu h VAL 646 CO 0.07 0.08 0.09 0.50 0.02 0.00 0.00 177.57 178.32 3itu h LYS 647 N 0.42 0.20 0.00 1.57 3.64 -1.08 -1.25 116.57 120.07 3itu h LYS 647 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3itu h LYS 647 Cb -0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3itu h LYS 647 CO -0.06 0.13 0.00 -0.22 -2.27 0.00 0.00 179.45 177.04 3itu h LYS 648 N 0.21 0.00 -0.00 1.90 3.64 -0.78 -2.68 116.57 118.86 3itu h LYS 648 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3itu h LYS 648 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3itu h LYS 648 CO -0.17 0.00 -0.00 0.41 -2.27 0.00 0.00 179.45 177.42 3itu n GLY 649 N -0.15 -1.20 3.86 5.01 0.00 -0.46 -4.77 105.19 107.48 3itu n GLY 649 Ca 0.01 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3itu n GLY 649 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3itu s TYR 650 N -2.40 3.64 0.00 1.61 2.02 -1.01 -0.29 117.35 120.92 3itu s TYR 650 Ca 0.35 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.72 3itu s TYR 650 Cb 0.21 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3itu s TYR 650 CO 0.43 0.70 0.00 0.54 -1.57 0.00 0.00 175.55 175.65 3itu n ARG 651 N 1.98 0.78 -2.59 -0.62 1.74 -1.26 -4.80 116.66 111.89 3itu n ARG 651 Ca -0.18 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.66 3itu n ARG 651 Cb 0.54 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.98 3itu n ARG 651 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3itu n ASP 652 N -1.26 4.08 -4.72 0.55 2.03 -1.26 -4.22 116.55 111.75 3itu n ASP 652 Ca 0.00 -3.54 -0.29 0.00 0.52 0.00 0.00 54.79 51.48 3itu n ASP 652 Cb 0.00 -0.49 0.15 0.00 -0.72 0.00 0.00 41.12 40.06 3itu n ASP 652 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3itu s PRO 653 N -3.44 0.93 0.20 -0.67 0.04 -1.26 -4.92 135.00 125.88 3itu s PRO 653 Ca 0.45 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 3itu s PRO 653 Cb 0.39 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 33.27 3itu s PRO 653 CO -0.15 -2.40 1.79 -1.35 0.04 0.00 0.00 177.00 174.94 3itu h PRO 654 N -1.65 1.02 0.00 0.56 0.11 -1.95 -3.37 132.00 126.72 3itu h PRO 654 Ca -0.52 -0.15 -0.38 0.00 0.11 0.00 0.00 66.00 65.06 3itu h PRO 654 Cb 1.31 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3itu h PRO 654 CO 0.58 0.80 -2.25 0.98 -0.21 0.00 0.00 178.00 177.90 3itu n TYR 655 N -4.43 0.00 -1.19 0.65 9.36 -1.26 -4.81 117.16 115.49 3itu n TYR 655 Ca 0.06 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.94 3itu n TYR 655 Cb 0.13 -0.86 -0.04 0.00 -0.63 0.00 0.00 39.34 37.94 3itu n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3itu n HIS 656 N -4.16 2.03 -4.60 2.98 8.25 -1.26 -4.38 115.22 114.06 3itu n HIS 656 Ca -0.46 -2.76 -0.27 0.00 -0.26 0.00 0.00 57.72 53.97 3itu n HIS 656 Cb 0.81 -2.28 -0.06 0.00 1.12 0.00 0.00 29.99 29.59 3itu n HIS 656 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3itu n ASN 657 N 3.58 2.82 0.08 0.41 0.23 -1.26 -4.54 115.26 116.57 3itu n ASN 657 Ca 0.70 -2.88 0.04 0.00 -0.53 0.00 0.00 54.58 51.91 3itu n ASN 657 Cb 0.27 0.41 0.46 0.00 -2.08 0.00 0.00 39.78 38.85 3itu n ASN 657 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3itu h TRP 658 N 1.29 0.36 -0.15 -2.53 2.91 -1.87 -1.46 115.95 114.49 3itu h TRP 658 Ca -0.34 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.63 3itu h TRP 658 Cb 1.07 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 3itu h TRP 658 CO 0.00 0.26 -0.13 0.52 -1.03 0.00 0.00 178.44 178.07 3itu h MET 659 N 0.37 0.23 -0.11 2.65 2.86 -1.95 0.57 114.93 119.56 3itu h MET 659 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3itu h MET 659 Cb 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3itu h MET 659 CO -0.01 0.37 0.01 1.25 1.06 0.00 0.00 176.91 179.59 3itu h HIS 660 N 0.22 0.20 -0.94 -0.22 -0.00 -1.48 -0.47 115.15 112.46 3itu h HIS 660 Ca 0.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3itu h HIS 660 Cb 0.36 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.68 3itu h HIS 660 CO 0.01 0.39 0.58 0.00 -0.00 0.00 0.00 177.93 178.91 3itu h ALA 661 N 0.78 1.20 -0.07 5.26 0.00 -0.88 -0.97 119.26 124.57 3itu h ALA 661 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3itu h ALA 661 Cb 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3itu h ALA 661 CO 0.00 0.64 -0.01 0.35 0.00 0.00 0.00 179.25 180.23 3itu h PHE 662 N 1.29 0.16 -0.13 0.00 3.57 0.12 0.39 116.94 122.34 3itu h PHE 662 Ca 0.34 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3itu h PHE 662 Cb -0.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3itu h PHE 662 CO 0.00 0.45 -0.15 0.66 -2.23 0.00 0.00 178.31 177.04 3itu h SER 663 N -0.18 0.20 -0.13 0.41 4.64 -0.56 0.11 113.55 118.04 3itu h SER 663 Ca 0.02 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3itu h SER 663 Cb 0.39 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3itu h SER 663 CO 0.01 0.38 -0.02 0.58 -0.87 0.00 0.00 176.83 176.90 3itu h VAL 664 N 0.20 1.28 -0.81 0.95 2.07 -0.90 -1.47 116.25 117.57 3itu h VAL 664 Ca 0.04 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3itu h VAL 664 Cb 0.40 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3itu h VAL 664 CO 0.02 0.27 0.54 0.28 0.02 0.00 0.00 177.57 178.71 3itu h SER 665 N -0.05 0.93 -0.81 0.57 0.02 -0.57 -1.44 113.55 112.20 3itu h SER 665 Ca 0.03 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3itu h SER 665 Cb 0.43 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3itu h SER 665 CO 0.01 0.67 0.39 -0.74 -1.14 0.00 0.00 176.83 176.02 3itu h HIS 666 N 1.10 1.18 -0.56 3.45 6.17 -0.60 -1.72 115.15 124.17 3itu h HIS 666 Ca 0.30 -0.06 -0.06 0.00 0.71 0.00 0.00 60.37 61.26 3itu h HIS 666 Cb -0.12 -0.36 -0.02 0.00 2.52 0.00 0.00 27.41 29.42 3itu h HIS 666 CO -0.02 0.86 0.09 0.35 0.71 0.00 0.00 177.93 179.92 3itu h PHE 667 N 1.16 0.93 -0.70 5.26 3.57 -0.28 0.10 116.94 126.98 3itu h PHE 667 Ca 0.28 -0.11 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3itu h PHE 667 Cb 0.12 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.52 3itu h PHE 667 CO 0.01 0.80 0.28 0.00 -2.23 0.00 0.00 178.31 177.17 3itu h TYR 669 N 0.46 0.63 -0.75 0.00 3.20 -0.39 -0.92 116.97 119.20 3itu h TYR 669 Ca 0.37 -0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.26 3itu h TYR 669 Cb 0.50 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 3itu h TYR 669 CO -0.16 0.58 0.40 -0.07 -1.64 0.00 0.00 178.16 177.28 3itu h LEU 670 N 0.50 0.56 -0.24 2.82 3.38 -0.29 0.00 115.31 122.03 3itu h LEU 670 Ca 0.13 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3itu h LEU 670 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3itu h LEU 670 CO -0.01 0.33 0.00 -0.07 0.09 0.00 0.00 178.44 178.78 3itu h LEU 671 N 0.69 0.42 -0.64 1.67 3.38 -0.18 0.21 115.31 120.86 3itu h LEU 671 Ca 0.36 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3itu h LEU 671 Cb 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3itu h LEU 671 CO -0.25 0.62 0.32 0.22 0.09 0.00 0.00 178.44 179.44 3itu h TYR 672 N 0.20 0.58 0.00 1.13 3.20 -0.75 -0.11 116.97 121.22 3itu h TYR 672 Ca 0.07 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 3itu h TYR 672 Cb 0.40 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3itu h TYR 672 CO 0.03 0.24 -0.75 0.87 -1.64 0.00 0.00 178.16 176.91 3itu h LYS 673 N 0.58 0.00 0.00 1.82 1.79 -0.58 -3.36 116.57 116.82 3itu h LYS 673 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3itu h LYS 673 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3itu h LYS 673 CO -0.22 0.75 -1.29 0.09 -1.08 0.00 0.00 179.45 177.71 3itu n ASN 674 N -3.63 1.52 -0.27 0.86 3.02 0.02 -4.80 115.26 111.99 3itu n ASN 674 Ca -0.01 -0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.31 3itu n ASN 674 Cb 0.73 1.41 0.05 0.00 -0.61 0.00 0.00 39.78 41.36 3itu n ASN 674 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itu n LEU 675 N -1.75 1.95 -3.68 3.41 4.77 -0.06 -4.96 117.00 116.67 3itu n LEU 675 Ca -0.01 -1.48 -0.21 0.00 -0.03 0.00 0.00 56.01 54.28 3itu n LEU 675 Cb 0.30 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3itu n LEU 675 CO 0.27 0.46 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.11 3itu n GLU 676 N 0.17 -4.71 0.06 3.23 4.71 -1.26 -4.86 120.64 117.99 3itu n GLU 676 Ca 0.05 0.62 0.18 0.00 -0.01 0.00 0.00 57.16 58.00 3itu n GLU 676 Cb 0.24 -5.16 0.70 0.00 -1.01 0.00 0.00 31.44 26.20 3itu n GLU 676 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3itu h LEU 677 N -1.85 0.00 -2.19 -4.62 3.38 -1.81 -1.36 115.31 106.86 3itu h LEU 677 Ca -0.61 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 3itu h LEU 677 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3itu h LEU 677 CO 0.56 0.00 -0.03 0.71 0.09 0.00 0.00 178.44 179.77 3itu h THR 678 N 0.00 0.13 0.00 0.22 1.35 -1.89 0.88 112.91 113.60 3itu h THR 678 Ca 0.20 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3itu h THR 678 Cb 0.82 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3itu h THR 678 CO -0.00 0.03 0.00 0.59 -0.25 0.00 0.00 175.52 175.88 3itu n ASN 679 N -3.21 0.00 0.00 5.36 3.02 -0.51 -4.20 115.26 115.72 3itu n ASN 679 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3itu n ASN 679 Cb 0.19 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3itu n ASN 679 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itu n TYR 680 N -1.36 0.00 -4.33 3.10 4.01 0.09 -4.94 117.16 113.73 3itu n TYR 680 Ca 0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 3itu n TYR 680 Cb 0.21 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 3itu n TYR 680 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3itu s LEU 681 N -4.24 2.48 0.52 7.72 1.43 0.03 -4.88 118.68 121.74 3itu s LEU 681 Ca 0.00 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 51.99 3itu s LEU 681 Cb 0.00 -0.73 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 3itu s LEU 681 CO 0.00 -0.11 1.05 -1.61 0.23 0.00 0.00 176.35 175.92 3itu s GLU 682 N -3.14 3.63 0.27 1.70 2.02 -1.26 -4.49 118.70 117.43 3itu s GLU 682 Ca 0.18 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3itu s GLU 682 Cb -0.03 -2.07 0.54 0.00 0.10 0.00 0.00 34.13 32.67 3itu s GLU 682 CO 0.06 -0.57 1.80 0.22 0.02 0.00 0.00 175.26 176.79 3itu h ASP 683 N 1.26 0.74 0.03 -0.19 3.58 -1.97 -1.28 116.42 118.58 3itu h ASP 683 Ca -0.49 0.07 -0.09 0.00 0.42 0.00 0.00 57.03 56.94 3itu h ASP 683 Cb 1.23 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 3itu h ASP 683 CO 0.58 0.36 -0.28 -0.29 -2.88 0.00 0.00 179.24 176.73 3itu h ILE 684 N 0.81 1.27 -0.18 2.25 2.10 -1.99 -1.29 117.51 120.48 3itu h ILE 684 Ca 0.48 -1.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 3itu h ILE 684 Cb 0.58 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 3itu h ILE 684 CO -0.31 0.40 0.06 -0.33 -1.08 0.00 0.00 178.15 176.89 3itu h GLU 685 N 0.34 0.28 -0.61 2.19 5.08 -1.63 0.09 114.58 120.31 3itu h GLU 685 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3itu h GLU 685 Cb 0.68 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3itu h GLU 685 CO 0.05 0.39 0.30 0.82 -1.00 0.00 0.00 179.01 179.57 3itu h ILE 686 N 0.11 1.21 -0.21 3.13 2.04 -0.91 0.11 117.51 123.00 3itu h ILE 686 Ca 0.06 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3itu h ILE 686 Cb 0.22 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3itu h ILE 686 CO -0.00 0.24 0.07 0.15 0.00 0.00 0.00 178.15 178.61 3itu h PHE 687 N 0.84 0.34 -0.95 1.37 3.57 -1.15 -1.29 116.94 119.66 3itu h PHE 687 Ca 0.21 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3itu h PHE 687 Cb 0.11 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 3itu h PHE 687 CO -0.00 0.39 0.57 0.00 -2.23 0.00 0.00 178.31 177.05 3itu h ALA 688 N 0.91 1.22 -0.67 2.41 0.00 -0.79 -1.71 119.26 120.63 3itu h ALA 688 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3itu h ALA 688 Cb 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3itu h ALA 688 CO -0.00 0.67 0.44 1.25 0.00 0.00 0.00 179.25 181.61 3itu h LEU 689 N 1.31 0.77 -0.10 0.00 5.85 -0.29 0.13 115.31 122.98 3itu h LEU 689 Ca 0.34 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3itu h LEU 689 Cb -0.06 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 3itu h LEU 689 CO -0.06 0.55 -0.02 0.15 -0.34 0.00 0.00 178.44 178.72 3itu h PHE 690 N 0.91 0.21 -0.76 1.25 3.57 -0.53 0.64 116.94 122.22 3itu h PHE 690 Ca 0.25 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3itu h PHE 690 Cb -0.10 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3itu h PHE 690 CO -0.03 0.50 0.46 0.82 -2.23 0.00 0.00 178.31 177.83 3itu h ILE 691 N -0.14 1.21 -0.77 1.41 1.08 -1.31 -1.62 117.51 117.37 3itu h ILE 691 Ca 0.02 -0.46 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 3itu h ILE 691 Cb 0.43 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 3itu h ILE 691 CO 0.01 0.22 0.42 0.28 -0.69 0.00 0.00 178.15 178.39 3itu h SER 692 N 1.04 0.97 -0.62 1.72 0.02 -0.47 -1.88 113.55 114.32 3itu h SER 692 Ca 0.27 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3itu h SER 692 Cb -0.04 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.20 3itu h SER 692 CO -0.05 0.79 0.32 0.00 -1.14 0.00 0.00 176.83 176.75 3itu h MET 694 N 0.60 1.17 -0.01 0.00 2.07 -0.78 -3.07 114.93 114.90 3itu h MET 694 Ca 0.28 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 3itu h MET 694 Cb 0.21 -0.26 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 3itu h MET 694 CO -0.19 0.77 -0.28 0.00 1.07 0.00 0.00 176.91 178.28 3itu n HIS 696 N -0.06 0.90 -1.62 0.00 1.44 0.08 -2.20 115.22 113.76 3itu n HIS 696 Ca 0.12 0.29 0.06 0.00 -2.01 0.00 0.00 57.72 56.19 3itu n HIS 696 Cb 0.43 -0.98 0.19 0.00 0.12 0.00 0.00 29.99 29.74 3itu n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3itu n ASP 697 N -2.26 1.70 -4.67 4.39 8.00 -1.26 -4.83 116.55 117.62 3itu n ASP 697 Ca 0.04 -3.67 -0.45 0.00 0.71 0.00 0.00 54.79 51.42 3itu n ASP 697 Cb 0.35 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 3itu n ASP 697 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3itu n LEU 698 N -1.02 3.18 -1.06 0.64 4.77 -0.93 -1.92 117.00 120.66 3itu n LEU 698 Ca 0.18 1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 57.17 3itu n LEU 698 Cb 0.72 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3itu n LEU 698 CO -0.03 -0.44 -0.13 -0.67 -1.33 0.00 0.00 177.39 174.79 3itu n ASP 699 N 2.25 -4.27 -4.76 -1.43 2.03 0.61 -4.34 116.55 106.64 3itu n ASP 699 Ca 0.12 0.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.23 3itu n ASP 699 Cb 0.32 -3.02 -0.02 0.00 -0.72 0.00 0.00 41.12 37.67 3itu n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3itu s HIS 700 N -2.49 2.99 -0.67 -0.67 5.65 -0.81 -4.89 115.29 114.40 3itu s HIS 700 Ca 0.00 1.29 0.16 0.00 0.25 0.00 0.00 55.06 56.76 3itu s HIS 700 Cb 0.00 -3.75 0.65 0.00 -1.18 0.00 0.00 32.58 28.30 3itu s HIS 700 CO 0.00 -2.18 1.56 0.54 -0.65 0.00 0.00 174.74 174.02 3itu n ARG 701 N 1.15 3.71 -1.06 2.88 3.00 -1.26 -4.42 116.66 120.65 3itu n ARG 701 Ca 0.02 -2.85 -0.02 0.00 -0.01 0.00 0.00 57.85 54.99 3itu n ARG 701 Cb 0.41 -1.89 -0.01 0.00 0.00 0.00 0.00 32.46 30.97 3itu n ARG 701 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3itu n GLY 702 N 0.54 0.55 3.34 -0.13 0.00 -1.26 -4.98 105.19 103.24 3itu n GLY 702 Ca 0.24 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 3itu n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itu s THR 703 N -1.95 1.60 0.18 2.61 -4.23 -1.26 -4.68 115.64 107.90 3itu s THR 703 Ca 0.00 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.37 3itu s THR 703 Cb 0.00 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.80 3itu s THR 703 CO 0.00 -0.58 0.24 -0.46 -0.54 0.00 0.00 174.62 173.28 3itu n ASN 704 N -0.37 0.60 -0.07 3.99 0.23 -1.26 -4.93 115.26 113.45 3itu n ASN 704 Ca -0.08 -1.44 -0.11 0.00 -0.53 0.00 0.00 54.58 52.42 3itu n ASN 704 Cb 0.61 -0.13 -0.05 0.00 -2.08 0.00 0.00 39.78 38.13 3itu n ASN 704 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3itu h ASN 705 N 0.01 0.33 -0.77 0.53 2.35 -2.00 -2.36 115.58 113.67 3itu h ASN 705 Ca -0.08 -0.24 0.18 0.00 -0.55 0.00 0.00 56.30 55.60 3itu h ASN 705 Cb 0.37 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 38.53 3itu h ASN 705 CO 0.11 0.48 0.17 -1.28 -1.65 0.00 0.00 177.43 175.27 3itu h SER 706 N 0.16 -0.02 -0.03 5.81 0.87 -2.00 -0.87 113.55 117.46 3itu h SER 706 Ca 0.07 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3itu h SER 706 Cb 0.29 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3itu h SER 706 CO 0.00 -0.07 -0.23 0.15 -0.53 0.00 0.00 176.83 176.15 3itu h PHE 707 N 0.24 0.47 -0.61 2.24 3.57 -1.84 0.07 116.94 121.09 3itu h PHE 707 Ca 0.44 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3itu h PHE 707 Cb 0.79 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3itu h PHE 707 CO -0.28 0.63 0.34 1.96 -2.23 0.00 0.00 178.31 178.73 3itu h GLN 708 N 0.38 0.85 0.36 1.11 1.08 -0.67 -0.86 115.11 117.37 3itu h GLN 708 Ca 0.06 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3itu h GLN 708 Cb 0.61 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3itu h GLN 708 CO 0.04 0.64 -0.17 0.28 -0.95 0.00 0.00 178.83 178.67 3itu h VAL 709 N 0.83 0.55 -0.97 -0.54 2.07 -1.11 -1.07 116.25 116.01 3itu h VAL 709 Ca 0.22 -0.60 0.13 0.00 0.82 0.00 0.00 66.70 67.27 3itu h VAL 709 Cb 0.03 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3itu h VAL 709 CO -0.04 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3itu h ALA 710 N -0.45 1.63 -0.01 1.67 0.00 -0.93 -1.13 119.26 120.04 3itu h ALA 710 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3itu h ALA 710 Cb 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3itu h ALA 710 CO 0.08 0.11 -0.15 -1.13 0.00 0.00 0.00 179.25 178.17 3itu n SER 711 N -4.62 0.76 -3.68 0.00 3.41 -0.33 -4.95 113.62 104.21 3itu n SER 711 Ca 0.19 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.79 3itu n SER 711 Cb 0.41 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 3itu n SER 711 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3itu n LYS 712 N -0.73 -5.14 -1.36 4.33 5.02 -0.43 -4.95 118.16 114.91 3itu n LYS 712 Ca 0.14 0.64 -0.30 0.00 -2.02 0.00 0.00 58.31 56.78 3itu n LYS 712 Cb 0.31 -5.27 0.11 0.00 -0.02 0.00 0.00 35.03 30.16 3itu n LYS 712 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3itu s SER 713 N -4.31 4.09 0.22 4.39 1.04 -0.46 -4.84 113.70 113.82 3itu s SER 713 Ca 0.04 1.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.86 3itu s SER 713 Cb -0.02 -2.19 0.20 0.00 0.10 0.00 0.00 66.02 64.11 3itu s SER 713 CO 0.80 -2.25 1.89 1.62 0.98 0.00 0.00 173.24 176.29 3itu h VAL 714 N -1.28 1.20 -0.92 5.02 3.04 -1.92 -1.19 116.25 120.19 3itu h VAL 714 Ca -0.47 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 64.87 3itu h VAL 714 Cb 1.27 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 3itu h VAL 714 CO 0.56 0.20 0.60 -0.07 -1.01 0.00 0.00 177.57 177.85 3itu h LEU 715 N 1.11 1.00 -0.64 3.16 3.38 -1.93 -1.14 115.31 120.25 3itu h LEU 715 Ca 0.31 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3itu h LEU 715 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3itu h LEU 715 CO -0.08 0.69 -0.14 0.00 0.09 0.00 0.00 178.44 179.00 3itu h ALA 716 N 1.38 0.84 -0.93 1.53 0.00 -1.66 0.11 119.26 120.53 3itu h ALA 716 Ca 0.37 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3itu h ALA 716 Cb -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 3itu h ALA 716 CO -0.12 0.65 0.59 0.00 0.00 0.00 0.00 179.25 180.37 3itu h ALA 717 N 1.02 1.72 0.21 0.00 0.00 -0.38 -0.27 119.26 121.57 3itu h ALA 717 Ca 0.12 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 3itu h ALA 717 Cb 0.68 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.35 3itu h ALA 717 CO 0.05 0.04 -1.21 -0.07 0.00 0.00 0.00 179.25 178.06 3itu h LEU 718 N 0.80 0.70 -0.44 0.00 3.38 -0.78 -3.42 115.31 115.54 3itu h LEU 718 Ca 0.47 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3itu h LEU 718 Cb 0.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3itu h LEU 718 CO -0.23 1.58 0.00 -1.22 0.09 0.00 0.00 178.44 178.67 3itu n TYR 719 N -3.89 0.00 -0.22 1.13 4.01 -0.02 -4.78 117.16 113.40 3itu n TYR 719 Ca -0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.70 3itu n TYR 719 Cb 0.99 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 40.43 3itu n TYR 719 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3itu h SER 720 N 0.00 0.57 0.38 7.72 4.64 -1.20 -0.97 113.55 124.68 3itu h SER 720 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3itu h SER 720 Cb 0.13 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3itu h SER 720 CO 0.00 0.31 -0.06 0.77 -0.87 0.00 0.00 176.83 176.98 3itu h SER 721 N 0.61 0.00 0.01 4.97 4.64 -1.86 -2.73 113.55 119.19 3itu h SER 721 Ca 0.40 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.57 3itu h SER 721 Cb 0.67 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 3itu h SER 721 CO -0.16 0.06 -2.15 -0.62 -0.87 0.00 0.00 176.83 173.10 3itu n GLU 722 N -3.41 0.67 0.00 4.77 4.71 -0.45 -5.11 120.64 121.82 3itu n GLU 722 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 3itu n GLU 722 Cb 0.20 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 3itu n GLU 722 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3itu n GLY 723 N 1.45 -0.04 3.88 0.62 0.00 -0.72 -4.97 105.19 105.41 3itu n GLY 723 Ca -0.15 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 3itu n GLY 723 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3itu n SER 724 N -0.54 -1.06 0.12 1.61 7.64 -1.26 -4.76 113.62 115.37 3itu n SER 724 Ca 0.00 -0.98 -0.13 0.00 1.01 0.00 0.00 58.87 58.77 3itu n SER 724 Cb 0.00 -3.26 -0.06 0.00 -1.01 0.00 0.00 64.21 59.88 3itu n SER 724 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3itu h VAL 725 N -1.85 0.30 -0.76 0.44 2.07 -1.93 -0.45 116.25 114.06 3itu h VAL 725 Ca -0.63 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3itu h VAL 725 Cb 1.37 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3itu h VAL 725 CO 0.60 0.00 0.34 0.24 0.02 0.00 0.00 177.57 178.76 3itu h MET 726 N -0.57 1.12 -0.60 1.57 2.86 -1.93 -1.37 114.93 116.01 3itu h MET 726 Ca 0.03 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3itu h MET 726 Cb 0.59 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3itu h MET 726 CO -0.19 0.89 0.10 0.93 1.06 0.00 0.00 176.91 179.70 3itu h GLU 727 N 1.09 0.96 -0.77 1.72 3.07 -1.75 0.21 114.58 119.11 3itu h GLU 727 Ca 0.26 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3itu h GLU 727 Cb 0.16 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3itu h GLU 727 CO -0.03 0.89 0.42 0.00 -1.40 0.00 0.00 179.01 178.89 3itu h ARG 728 N 0.91 1.07 -0.43 2.33 3.08 -0.83 -1.03 114.38 119.49 3itu h ARG 728 Ca 0.19 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3itu h ARG 728 Cb 0.39 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3itu h ARG 728 CO 0.01 0.80 0.06 1.25 -1.07 0.00 0.00 179.97 181.01 3itu h HIS 729 N 1.06 0.76 -0.35 3.04 2.76 -0.26 -0.58 115.15 121.59 3itu h HIS 729 Ca 0.27 -0.11 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 3itu h HIS 729 Cb 0.03 -0.21 -0.08 0.00 1.55 0.00 0.00 27.41 28.70 3itu h HIS 729 CO 0.00 0.74 -0.25 0.45 -1.30 0.00 0.00 177.93 177.57 3itu h HIS 730 N 0.57 -0.67 -0.57 5.26 3.86 -0.32 0.39 115.15 123.66 3itu h HIS 730 Ca 0.13 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 3itu h HIS 730 Cb 0.40 0.35 -0.06 0.00 1.06 0.00 0.00 27.41 29.16 3itu h HIS 730 CO 0.03 -0.33 0.27 0.35 0.86 0.00 0.00 177.93 179.11 3itu h PHE 731 N -0.21 0.50 -0.48 2.45 3.57 -1.02 -0.85 116.94 120.90 3itu h PHE 731 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3itu h PHE 731 Cb 0.48 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3itu h PHE 731 CO -0.46 0.21 0.07 0.00 -2.23 0.00 0.00 178.31 175.91 3itu h ALA 732 N 1.34 0.64 -0.74 2.41 0.00 -0.44 -1.06 119.26 121.40 3itu h ALA 732 Ca 0.27 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3itu h ALA 732 Cb 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3itu h ALA 732 CO -0.21 0.37 0.42 1.96 0.00 0.00 0.00 179.25 181.79 3itu h GLN 733 N 0.67 0.73 -0.56 0.00 1.08 -0.70 0.48 115.11 116.80 3itu h GLN 733 Ca 0.15 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3itu h GLN 733 Cb 0.40 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3itu h GLN 733 CO 0.01 0.48 0.35 0.00 -0.95 0.00 0.00 178.83 178.72 3itu h ALA 734 N 1.39 0.72 -0.51 3.87 0.00 -0.40 -1.24 119.26 123.10 3itu h ALA 734 Ca 0.34 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3itu h ALA 734 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3itu h ALA 734 CO -0.20 0.09 -0.08 0.82 0.00 0.00 0.00 179.25 179.88 3itu h ILE 735 N 0.70 1.27 -0.55 0.00 1.08 -0.79 -1.32 117.51 117.90 3itu h ILE 735 Ca 0.22 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.48 3itu h ILE 735 Cb -0.01 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3itu h ILE 735 CO -0.08 0.42 0.34 0.00 -0.69 0.00 0.00 178.15 178.14 3itu h ALA 736 N 0.91 1.57 -0.19 1.87 0.00 -0.57 0.97 119.26 123.82 3itu h ALA 736 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3itu h ALA 736 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3itu h ALA 736 CO 0.04 0.38 0.03 0.82 0.00 0.00 0.00 179.25 180.52 3itu h ILE 737 N 0.75 1.23 -0.60 0.00 2.04 -0.51 -2.57 117.51 117.84 3itu h ILE 737 Ca 0.20 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3itu h ILE 737 Cb -0.04 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3itu h ILE 737 CO -0.04 0.23 0.40 -0.07 0.00 0.00 0.00 178.15 178.67 3itu h LEU 738 N 0.11 0.68 -0.58 1.44 3.38 -0.77 -1.16 115.31 118.40 3itu h LEU 738 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3itu h LEU 738 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3itu h LEU 738 CO 0.00 0.49 0.00 0.59 0.09 0.00 0.00 178.44 179.61 3itu n ASN 739 N -4.45 0.87 -4.72 -0.43 3.02 0.29 -3.41 115.26 106.44 3itu n ASN 739 Ca 0.06 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.58 3itu n ASN 739 Cb 0.05 -0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3itu n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3itu s THR 740 N -1.87 5.06 0.07 3.41 2.01 -0.44 -4.99 115.64 118.89 3itu s THR 740 Ca 0.27 1.40 -0.37 0.00 0.31 0.00 0.00 61.69 63.31 3itu s THR 740 Cb 0.14 -4.02 -0.16 0.00 0.01 0.00 0.00 72.50 68.46 3itu s THR 740 CO 0.21 0.26 1.41 1.57 -0.69 0.00 0.00 174.62 177.38 3itu n HIS 741 N 3.79 1.67 -0.33 4.92 -0.00 -1.26 -1.41 115.22 122.60 3itu n HIS 741 Ca -0.02 0.57 0.00 0.00 0.46 0.00 0.00 57.72 58.74 3itu n HIS 741 Cb 0.51 -2.37 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 3itu n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3itu n GLY 742 N 2.79 1.07 0.17 1.57 0.00 -1.26 -4.90 105.19 104.63 3itu n GLY 742 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3itu n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itu s ASN 744 N -0.56 6.73 0.08 0.00 3.84 -1.22 -4.54 114.94 119.27 3itu s ASN 744 Ca 0.05 -2.19 0.06 0.00 0.21 0.00 0.00 52.86 51.00 3itu s ASN 744 Cb 0.03 -2.47 0.31 0.00 -0.55 0.00 0.00 41.25 38.57 3itu s ASN 744 CO 0.05 -1.11 1.18 2.30 -2.79 0.00 0.00 177.10 176.72 3itu n ILE 745 N 5.77 1.74 -0.04 -5.21 -5.35 -1.26 -2.09 119.36 112.92 3itu n ILE 745 Ca 0.33 0.56 0.05 0.00 -0.27 0.00 0.00 62.75 63.42 3itu n ILE 745 Cb 0.48 -1.55 0.12 0.00 -1.74 0.00 0.00 39.64 36.95 3itu n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3itu n PHE 746 N -1.69 0.35 1.09 4.28 3.72 -1.26 -4.75 117.46 119.19 3itu n PHE 746 Ca -0.00 -0.40 0.13 0.00 -0.05 0.00 0.00 57.45 57.13 3itu n PHE 746 Cb 0.01 -0.02 0.62 0.00 -0.94 0.00 0.00 39.48 39.15 3itu n PHE 746 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3itu n ASP 747 N 0.48 0.00 -0.23 4.37 5.68 -0.89 -0.52 116.55 125.44 3itu n ASP 747 Ca 0.10 0.20 0.14 0.00 -0.50 0.00 0.00 54.79 54.73 3itu n ASP 747 Cb 0.38 -0.39 0.49 0.00 -1.14 0.00 0.00 41.12 40.46 3itu n ASP 747 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3itu n HIS 748 N -1.39 0.00 -1.28 2.11 1.44 -1.26 -4.94 115.22 109.89 3itu n HIS 748 Ca 0.10 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.49 3itu n HIS 748 Cb 0.26 -0.12 0.09 0.00 0.12 0.00 0.00 29.99 30.35 3itu n HIS 748 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3itu s PHE 749 N -2.40 2.42 0.90 -1.40 0.40 0.32 -4.98 117.98 113.25 3itu s PHE 749 Ca 0.28 1.59 -0.10 0.00 -0.60 0.00 0.00 56.93 58.10 3itu s PHE 749 Cb 0.20 -3.14 0.14 0.00 0.51 0.00 0.00 43.02 40.73 3itu s PHE 749 CO 0.47 -1.97 1.13 -1.54 0.70 0.00 0.00 175.22 174.01 3itu s SER 750 N -3.06 3.09 0.18 1.36 1.04 -1.26 -4.70 113.70 110.35 3itu s SER 750 Ca 0.64 2.05 -0.14 0.00 0.48 0.00 0.00 55.95 58.98 3itu s SER 750 Cb -0.19 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.51 3itu s SER 750 CO 0.53 -2.97 1.80 -0.09 0.98 0.00 0.00 173.24 173.49 3itu h ARG 751 N -1.78 0.52 -0.62 4.02 2.43 -1.99 0.17 114.38 117.14 3itu h ARG 751 Ca -0.45 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 3itu h ARG 751 Cb 1.27 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3itu h ARG 751 CO 0.44 0.35 0.37 0.87 -1.51 0.00 0.00 179.97 180.48 3itu h LYS 752 N 0.54 0.69 -0.01 0.20 1.57 -1.99 -0.86 116.57 116.70 3itu h LYS 752 Ca 0.21 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 3itu h LYS 752 Cb 0.07 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3itu h LYS 752 CO -0.12 0.45 -0.87 -0.44 -0.57 0.00 0.00 179.45 177.90 3itu h ASP 753 N 0.71 0.40 -0.18 0.86 3.32 -1.76 -0.66 116.42 119.10 3itu h ASP 753 Ca 0.26 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3itu h ASP 753 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3itu h ASP 753 CO -0.13 1.09 -0.01 0.22 -1.72 0.00 0.00 179.24 178.69 3itu h TYR 754 N 0.18 0.35 -0.99 4.55 3.20 -0.53 -0.54 116.97 123.19 3itu h TYR 754 Ca -0.05 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.77 3itu h TYR 754 Cb 1.49 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 3itu h TYR 754 CO 0.04 0.55 0.66 0.37 -1.64 0.00 0.00 178.16 178.14 3itu h GLN 755 N 0.06 1.28 0.12 1.82 4.15 -1.09 -1.26 115.11 120.19 3itu h GLN 755 Ca 0.05 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3itu h GLN 755 Cb 0.41 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3itu h GLN 755 CO 0.01 0.85 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.61 3itu h ARG 756 N 1.32 -0.16 -0.44 1.69 9.65 -0.86 -0.45 114.38 125.14 3itu h ARG 756 Ca 0.37 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.32 3itu h ARG 756 Cb -0.12 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 3itu h ARG 756 CO -0.09 -0.06 0.15 1.98 2.80 0.00 0.00 179.97 184.74 3itu h MET 757 N -0.21 0.30 -0.20 0.20 4.05 -0.81 0.19 114.93 118.46 3itu h MET 757 Ca -0.02 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.23 3itu h MET 757 Cb 0.16 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3itu h MET 757 CO 0.03 0.20 -0.50 -0.07 0.23 0.00 0.00 176.91 176.79 3itu h LEU 758 N 0.31 0.60 -0.36 3.39 4.07 -1.03 -0.68 115.31 121.61 3itu h LEU 758 Ca 0.21 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 3itu h LEU 758 Cb 0.21 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 3itu h LEU 758 CO -0.22 1.00 0.21 -0.78 -1.08 0.00 0.00 178.44 177.57 3itu h ASP 759 N 0.43 0.44 -0.29 -0.43 3.58 -0.85 -0.31 116.42 119.00 3itu h ASP 759 Ca 0.02 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.46 3itu h ASP 759 Cb 1.03 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.92 3itu h ASP 759 CO 0.09 0.38 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.71 3itu h LEU 760 N 0.46 -0.23 -0.88 2.28 3.38 -0.80 -0.84 115.31 118.69 3itu h LEU 760 Ca 0.13 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3itu h LEU 760 Cb 0.03 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3itu h LEU 760 CO -0.02 -0.08 0.57 0.24 0.09 0.00 0.00 178.44 179.24 3itu h MET 761 N 0.02 1.11 0.02 1.13 2.86 -0.91 0.67 114.93 119.82 3itu h MET 761 Ca 0.14 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3itu h MET 761 Cb 0.20 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3itu h MET 761 CO -0.28 0.73 -0.06 -0.09 1.06 0.00 0.00 176.91 178.27 3itu h ARG 762 N 1.14 -0.11 -0.65 1.72 2.43 -0.71 0.68 114.38 118.88 3itu h ARG 762 Ca 0.34 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3itu h ARG 762 Cb -0.06 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3itu h ARG 762 CO -0.10 -0.07 0.15 -0.44 -1.51 0.00 0.00 179.97 178.00 3itu h ASP 763 N -0.11 0.99 -0.16 -3.80 3.32 -0.65 -0.25 116.42 115.75 3itu h ASP 763 Ca 0.02 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 3itu h ASP 763 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3itu h ASP 763 CO -0.05 0.97 -0.23 0.40 -1.72 0.00 0.00 179.24 178.61 3itu h ILE 764 N 0.96 1.35 -0.14 0.35 2.04 -0.85 -1.17 117.51 120.05 3itu h ILE 764 Ca 0.20 -1.45 -0.17 0.00 1.00 0.00 0.00 64.86 64.44 3itu h ILE 764 Cb 0.37 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3itu h ILE 764 CO 0.00 0.43 -0.62 0.40 0.00 0.00 0.00 178.15 178.37 3itu h ILE 765 N 0.07 1.34 0.00 -0.67 2.04 -0.70 -2.57 117.51 117.02 3itu h ILE 765 Ca 0.02 -1.92 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 3itu h ILE 765 Cb 0.80 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 3itu h ILE 765 CO 0.05 0.59 -0.17 -0.07 0.00 0.00 0.00 178.15 178.55 3itu h LEU 766 N 0.37 0.00 -2.74 1.44 3.38 -0.99 -1.78 115.31 114.98 3itu h LEU 766 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itu h LEU 766 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3itu h LEU 766 CO 0.11 0.17 0.04 0.00 0.09 0.00 0.00 178.44 178.85 3itu h ALA 767 N 1.83 1.21 0.00 1.53 0.00 -0.78 -2.50 119.26 120.54 3itu h ALA 767 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 767 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3itu h ALA 767 CO 0.02 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3itu n THR 768 N -3.31 0.45 -2.46 0.00 -2.24 -0.67 -4.43 114.28 101.63 3itu n THR 768 Ca -0.03 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3itu n THR 768 Cb 0.11 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.54 3itu n THR 768 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3itu s ASP 769 N -2.70 6.89 0.63 3.42 2.15 -0.94 -4.88 116.67 121.24 3itu s ASP 769 Ca 0.16 1.52 0.40 0.00 0.43 0.00 0.00 52.55 55.06 3itu s ASP 769 Cb 0.13 -2.54 2.14 0.00 -0.30 0.00 0.00 42.92 42.35 3itu s ASP 769 CO 0.32 -0.84 2.28 -0.07 -0.17 0.00 0.00 175.17 176.70 3itu h LEU 770 N 10.00 0.00 -0.90 -1.34 3.38 -1.91 0.11 115.31 124.65 3itu h LEU 770 Ca -0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3itu h LEU 770 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3itu h LEU 770 CO 0.99 0.01 -0.23 0.00 0.09 0.00 0.00 178.44 179.30 3itu h ALA 771 N 1.99 1.07 -0.06 1.53 0.00 -1.94 -0.22 119.26 121.63 3itu h ALA 771 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3itu h ALA 771 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3itu h ALA 771 CO 0.00 0.57 0.00 1.25 0.00 0.00 0.00 179.25 181.07 3itu h HIS 772 N 0.48 0.11 -0.30 0.00 -0.00 -1.32 -1.89 115.15 112.23 3itu h HIS 772 Ca 0.07 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 3itu h HIS 772 Cb 0.66 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 3itu h HIS 772 CO 0.02 0.37 -0.01 1.25 -0.00 0.00 0.00 177.93 179.56 3itu h HIS 773 N -0.18 -0.03 -0.89 5.26 6.17 -1.09 -0.86 115.15 123.53 3itu h HIS 773 Ca 0.02 0.02 0.08 0.00 0.71 0.00 0.00 60.37 61.20 3itu h HIS 773 Cb 0.32 0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.25 3itu h HIS 773 CO 0.03 -0.06 0.57 -0.07 0.71 0.00 0.00 177.93 179.11 3itu h LEU 774 N 0.08 0.84 -0.78 0.26 3.38 -0.97 -0.96 115.31 117.16 3itu h LEU 774 Ca 0.14 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 774 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3itu h LEU 774 CO -0.25 0.52 -0.03 0.03 0.09 0.00 0.00 178.44 178.80 3itu h ARG 775 N 0.94 0.90 -0.02 1.13 3.08 -0.38 -3.01 114.38 117.02 3itu h ARG 775 Ca 0.39 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3itu h ARG 775 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3itu h ARG 775 CO -0.16 0.91 -0.01 0.44 -1.07 0.00 0.00 179.97 180.09 3itu n ILE 776 N -4.19 0.00 -0.25 2.04 -5.35 -0.45 -4.51 119.36 106.65 3itu n ILE 776 Ca 0.02 -0.30 0.06 0.00 -0.27 0.00 0.00 62.75 62.26 3itu n ILE 776 Cb 0.34 0.73 0.18 0.00 -1.74 0.00 0.00 39.64 39.14 3itu n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3itu h PHE 777 N 2.87 0.17 -0.56 4.28 3.57 -1.06 0.11 116.94 126.32 3itu h PHE 777 Ca 0.00 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3itu h PHE 777 Cb 0.61 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3itu h PHE 777 CO 0.00 -0.14 0.12 0.87 -2.23 0.00 0.00 178.31 176.93 3itu h LYS 778 N 0.21 0.92 -0.71 1.11 1.79 -1.81 0.19 116.57 118.26 3itu h LYS 778 Ca 0.41 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3itu h LYS 778 Cb 0.72 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 3itu h LYS 778 CO -0.56 0.87 0.33 -0.44 -1.08 0.00 0.00 179.45 178.57 3itu h ASP 779 N 0.82 0.93 -0.29 0.86 3.32 -1.37 -0.12 116.42 120.56 3itu h ASP 779 Ca 0.17 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3itu h ASP 779 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3itu h ASP 779 CO 0.01 0.79 0.09 -0.07 -1.72 0.00 0.00 179.24 178.34 3itu h LEU 780 N 1.01 0.42 -0.59 1.55 3.38 0.18 -1.11 115.31 120.16 3itu h LEU 780 Ca 0.25 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 780 Cb 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3itu h LEU 780 CO -0.03 0.51 0.36 1.56 0.09 0.00 0.00 178.44 180.93 3itu h GLN 781 N 0.31 0.68 -0.56 1.13 4.20 -0.65 -1.48 115.11 118.75 3itu h GLN 781 Ca 0.09 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3itu h GLN 781 Cb 0.24 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3itu h GLN 781 CO -0.00 0.45 0.28 -0.22 -0.67 0.00 0.00 178.83 178.66 3itu h LYS 782 N 0.70 0.80 -0.55 1.46 3.64 -0.87 -0.46 116.57 121.29 3itu h LYS 782 Ca 0.24 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3itu h LYS 782 Cb 0.03 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 3itu h LYS 782 CO -0.11 0.65 0.14 1.98 -2.27 0.00 0.00 179.45 179.84 3itu h MET 783 N 0.75 0.28 -0.62 1.90 4.05 -0.93 -1.17 114.93 119.19 3itu h MET 783 Ca 0.19 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 3itu h MET 783 Cb 0.10 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 3itu h MET 783 CO -0.03 0.18 0.06 0.00 0.23 0.00 0.00 176.91 177.36 3itu h ALA 784 N 1.42 0.94 -0.17 0.39 0.00 -0.92 -0.89 119.26 120.02 3itu h ALA 784 Ca 0.28 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3itu h ALA 784 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3itu h ALA 784 CO -0.34 0.65 -0.50 1.49 0.00 0.00 0.00 179.25 180.55 3itu h GLU 785 N 0.97 0.64 0.00 0.00 4.81 -0.61 -3.24 114.58 117.15 3itu h GLU 785 Ca 0.19 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 3itu h GLU 785 Cb 0.47 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3itu h GLU 785 CO 0.02 1.08 -0.52 -0.39 -0.73 0.00 0.00 179.01 178.47 3itu h VAL 786 N 0.32 0.52 0.00 0.32 -1.51 -1.21 -3.50 116.25 111.19 3itu h VAL 786 Ca -0.01 -1.76 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 3itu h VAL 786 Cb 1.12 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 3itu h VAL 786 CO 0.11 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.35 3itu n GLY 787 N 1.21 2.50 3.70 5.19 0.00 -0.34 -5.01 105.19 112.44 3itu n GLY 787 Ca 0.01 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3itu n GLY 787 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3itu s TYR 788 N -0.31 2.50 -0.35 1.61 5.04 -1.23 -4.89 117.35 119.72 3itu s TYR 788 Ca 0.00 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 54.78 3itu s TYR 788 Cb 0.00 -4.10 0.05 0.00 0.35 0.00 0.00 41.96 38.25 3itu s TYR 788 CO 0.00 -4.39 0.12 0.34 -1.34 0.00 0.00 175.55 170.28 3itu s ASP 789 N 2.08 5.31 0.63 4.32 -1.08 -1.26 -4.99 116.67 121.68 3itu s ASP 789 Ca 0.77 -1.24 0.36 0.00 -0.52 0.00 0.00 52.55 51.92 3itu s ASP 789 Cb -0.46 -1.87 2.01 0.00 -1.46 0.00 0.00 42.92 41.14 3itu s ASP 789 CO 0.34 -0.35 2.22 -0.09 0.52 0.00 0.00 175.17 177.80 3itu h ARG 790 N 8.21 0.00 -0.33 4.34 2.43 -1.92 0.13 114.38 127.24 3itu h ARG 790 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3itu h ARG 790 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3itu h ARG 790 CO 0.62 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.17 3itu n ASN 791 N -3.38 1.99 -4.37 -3.80 3.02 -1.26 -4.81 115.26 102.65 3itu n ASN 791 Ca -0.02 -1.92 -0.38 0.00 -0.03 0.00 0.00 54.58 52.24 3itu n ASN 791 Cb 0.18 -0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 3itu n ASN 791 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3itu s ASN 792 N -1.17 5.27 0.26 6.41 3.84 0.44 -4.97 114.94 125.03 3itu s ASN 792 Ca 0.28 -0.66 -0.01 0.00 0.21 0.00 0.00 52.86 52.68 3itu s ASN 792 Cb 0.15 -1.92 0.34 0.00 -0.55 0.00 0.00 41.25 39.27 3itu s ASN 792 CO 0.20 -0.20 1.72 0.11 -2.79 0.00 0.00 177.10 176.15 3itu h LYS 793 N 8.27 0.67 -0.93 0.43 1.57 -1.87 -1.54 116.57 123.17 3itu h LYS 793 Ca -0.31 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3itu h LYS 793 Cb 1.13 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 3itu h LYS 793 CO 0.61 0.78 0.56 0.37 -0.57 0.00 0.00 179.45 181.20 3itu h GLN 794 N 0.60 1.27 -0.90 3.15 5.75 -1.95 -2.19 115.11 120.85 3itu h GLN 794 Ca 0.10 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 3itu h GLN 794 Cb 0.58 -0.27 -0.06 0.00 1.07 0.00 0.00 27.48 28.81 3itu h GLN 794 CO 0.04 0.89 0.58 0.45 -2.65 0.00 0.00 178.83 178.13 3itu h HIS 795 N 1.29 1.08 -0.20 3.99 3.86 -1.58 0.82 115.15 124.40 3itu h HIS 795 Ca 0.33 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.59 3itu h HIS 795 Cb -0.05 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.04 3itu h HIS 795 CO 0.01 0.60 0.08 0.45 0.86 0.00 0.00 177.93 179.93 3itu h HIS 796 N 1.10 0.16 -0.34 2.45 3.86 -1.18 0.84 115.15 122.03 3itu h HIS 796 Ca 0.37 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.59 3itu h HIS 796 Cb 0.05 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3itu h HIS 796 CO -0.02 0.08 0.21 0.00 0.86 0.00 0.00 177.93 179.07 3itu h ARG 797 N 0.19 0.43 -0.47 2.45 3.08 -1.10 -0.51 114.38 118.45 3itu h ARG 797 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3itu h ARG 797 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3itu h ARG 797 CO -0.07 0.28 0.25 -0.07 -1.07 0.00 0.00 179.97 179.29 3itu h LEU 798 N 0.44 0.60 -0.91 3.04 3.38 -0.59 -2.26 115.31 119.00 3itu h LEU 798 Ca 0.13 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3itu h LEU 798 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3itu h LEU 798 CO -0.04 0.54 0.16 0.25 0.09 0.00 0.00 178.44 179.43 3itu h LEU 799 N 0.62 0.89 -0.60 1.67 5.85 -0.47 -1.45 115.31 121.83 3itu h LEU 799 Ca 0.17 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3itu h LEU 799 Cb 0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3itu h LEU 799 CO -0.02 0.86 0.33 -0.07 -0.34 0.00 0.00 178.44 179.20 3itu h LEU 800 N 0.92 0.74 0.24 2.25 3.38 -0.88 0.38 115.31 122.33 3itu h LEU 800 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3itu h LEU 800 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3itu h LEU 800 CO -0.00 0.62 -0.23 0.00 0.09 0.00 0.00 178.44 178.91 3itu h LEU 802 N -0.50 0.44 -0.49 0.00 5.85 -0.83 -0.38 115.31 119.40 3itu h LEU 802 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3itu h LEU 802 Cb 0.47 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3itu h LEU 802 CO -0.05 0.26 0.12 -0.07 -0.34 0.00 0.00 178.44 178.36 3itu h LEU 803 N 0.58 0.74 -0.40 2.25 3.38 -0.69 0.28 115.31 121.45 3itu h LEU 803 Ca 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3itu h LEU 803 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3itu h LEU 803 CO -0.25 0.78 0.10 -0.03 0.09 0.00 0.00 178.44 179.13 3itu h MET 804 N 0.67 0.64 -0.63 1.13 4.05 -0.56 0.61 114.93 120.83 3itu h MET 804 Ca 0.15 -0.15 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 3itu h MET 804 Cb 0.33 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.99 3itu h MET 804 CO 0.00 0.66 0.32 1.15 0.23 0.00 0.00 176.91 179.27 3itu h THR 805 N 0.50 0.91 -0.80 -0.77 2.02 -0.84 -0.71 112.91 113.22 3itu h THR 805 Ca 0.13 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3itu h THR 805 Cb 0.30 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3itu h THR 805 CO 0.00 0.11 0.33 0.28 0.37 0.00 0.00 175.52 176.61 3itu h SER 806 N 0.59 1.10 -0.49 4.18 0.02 -0.21 -0.82 113.55 117.91 3itu h SER 806 Ca 0.29 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3itu h SER 806 Cb 0.24 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3itu h SER 806 CO -0.21 0.97 0.23 0.00 -1.14 0.00 0.00 176.83 176.67 3itu h ASP 808 N 0.64 0.00 -0.44 0.00 3.58 -0.36 -2.67 116.42 117.18 3itu h ASP 808 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3itu h ASP 808 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3itu h ASP 808 CO -0.02 0.33 0.00 0.18 -2.88 0.00 0.00 179.24 176.85 3itu n LEU 809 N -3.77 3.51 0.33 2.28 4.77 -0.39 -4.67 117.00 119.06 3itu n LEU 809 Ca -0.01 -1.60 0.22 0.00 -0.03 0.00 0.00 56.01 54.58 3itu n LEU 809 Cb 0.42 -0.29 1.17 0.00 -2.33 0.00 0.00 43.42 42.39 3itu n LEU 809 CO 0.36 0.78 1.18 0.77 -1.33 0.00 0.00 177.39 179.15 3itu h SER 810 N 4.30 0.00 -0.19 -1.43 4.64 -1.08 -1.32 113.55 118.47 3itu h SER 810 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3itu h SER 810 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3itu h SER 810 CO 0.00 0.00 0.35 0.44 -0.87 0.00 0.00 176.83 176.75 3itu h ASP 811 N 0.00 0.00 0.54 4.97 3.32 -1.83 -1.28 116.42 122.14 3itu h ASP 811 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3itu h ASP 811 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3itu h ASP 811 CO -0.00 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 177.44 3itu n GLN 812 N -3.36 0.44 -0.45 3.56 1.13 -0.50 -3.54 117.38 114.67 3itu n GLN 812 Ca 0.02 -0.09 0.11 0.00 -1.94 0.00 0.00 57.00 55.10 3itu n GLN 812 Cb 0.46 -1.50 0.34 0.00 0.11 0.00 0.00 30.24 29.65 3itu n GLN 812 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3itu n THR 813 N -1.20 1.23 -1.85 5.09 -2.24 -0.48 -3.96 114.28 110.87 3itu n THR 813 Ca 0.13 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3itu n THR 813 Cb 0.28 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3itu n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3itu n LYS 814 N 1.55 3.45 -1.90 -0.78 4.76 -1.23 -4.83 118.16 119.17 3itu n LYS 814 Ca 0.25 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.40 3itu n LYS 814 Cb 0.70 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.96 3itu n LYS 814 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3itu s GLY 815 N -0.55 1.61 0.33 0.72 0.00 -1.26 -4.88 107.32 103.29 3itu s GLY 815 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.26 3itu s GLY 815 CO 0.00 -0.09 1.84 -0.25 0.00 0.00 0.00 173.10 174.60 3itu h TRP 816 N -0.86 0.96 -0.50 1.90 2.91 -1.98 -1.59 115.95 116.79 3itu h TRP 816 Ca -0.45 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.59 3itu h TRP 816 Cb 1.30 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 3itu h TRP 816 CO 0.40 0.33 0.30 -0.22 -1.03 0.00 0.00 178.44 178.21 3itu h LYS 817 N 0.78 0.68 -0.36 2.65 3.64 -2.00 -0.93 116.57 121.04 3itu h LYS 817 Ca 0.49 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.82 3itu h LYS 817 Cb 0.72 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3itu h LYS 817 CO -0.26 0.50 0.22 1.15 -2.27 0.00 0.00 179.45 178.79 3itu h THR 818 N 0.67 1.05 -0.47 1.00 2.02 -1.75 -2.21 112.91 113.22 3itu h THR 818 Ca 0.18 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3itu h THR 818 Cb -0.01 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 3itu h THR 818 CO -0.03 0.08 0.02 0.74 0.37 0.00 0.00 175.52 176.70 3itu h THR 819 N 0.44 0.66 -0.10 3.16 2.02 -0.90 0.43 112.91 118.61 3itu h THR 819 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3itu h THR 819 Cb -0.01 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3itu h THR 819 CO -0.06 0.02 0.04 -0.09 0.37 0.00 0.00 175.52 175.81 3itu h ARG 820 N 0.13 0.15 -0.74 6.66 2.43 -1.11 -0.42 114.38 121.49 3itu h ARG 820 Ca 0.23 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3itu h ARG 820 Cb 0.34 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3itu h ARG 820 CO -0.37 0.24 0.32 -0.22 -1.51 0.00 0.00 179.97 178.43 3itu h LYS 821 N 0.02 1.08 -0.68 0.20 1.63 -0.98 -1.74 116.57 116.10 3itu h LYS 821 Ca 0.03 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 3itu h LYS 821 Cb 0.15 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3itu h LYS 821 CO -0.00 0.87 0.18 0.82 -3.45 0.00 0.00 179.45 177.87 3itu h ILE 822 N 1.05 1.25 -0.70 2.00 1.08 -0.78 -2.10 117.51 119.31 3itu h ILE 822 Ca 0.25 -0.91 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 3itu h ILE 822 Cb 0.17 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 3itu h ILE 822 CO -0.03 0.35 0.30 0.00 -0.69 0.00 0.00 178.15 178.08 3itu h ALA 823 N 1.18 0.91 -0.84 1.87 0.00 -0.52 0.17 119.26 122.03 3itu h ALA 823 Ca 0.22 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3itu h ALA 823 Cb 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3itu h ALA 823 CO -0.00 0.52 0.52 0.93 0.00 0.00 0.00 179.25 181.22 3itu h GLU 824 N 1.00 0.92 -0.10 0.00 5.08 -0.89 -0.27 114.58 120.31 3itu h GLU 824 Ca 0.24 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3itu h GLU 824 Cb 0.19 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3itu h GLU 824 CO -0.02 0.61 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.13 3itu h LEU 825 N 0.95 0.53 0.10 1.33 3.38 -0.59 -1.06 115.31 119.95 3itu h LEU 825 Ca 0.36 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3itu h LEU 825 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3itu h LEU 825 CO -0.17 1.07 -0.05 0.40 0.09 0.00 0.00 178.44 179.78 3itu h ILE 826 N 0.03 0.90 -0.15 1.22 2.04 -0.56 -1.60 117.51 119.38 3itu h ILE 826 Ca -0.02 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 3itu h ILE 826 Cb 1.04 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3itu h ILE 826 CO 0.08 0.00 -0.31 1.88 0.00 0.00 0.00 178.15 179.80 3itu h TYR 827 N -0.13 0.34 -0.72 1.37 0.05 -1.07 -0.20 116.97 116.60 3itu h TYR 827 Ca -0.01 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.72 3itu h TYR 827 Cb 0.10 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3itu h TYR 827 CO -0.07 0.59 0.46 -0.22 -1.05 0.00 0.00 178.16 177.86 3itu h LYS 828 N 0.26 0.87 -0.31 4.88 3.64 -1.07 0.27 116.57 125.11 3itu h LYS 828 Ca 0.04 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3itu h LYS 828 Cb 0.69 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3itu h LYS 828 CO 0.05 0.58 -0.01 1.49 -2.27 0.00 0.00 179.45 179.29 3itu h GLU 829 N 0.90 0.56 -0.22 1.90 4.81 -0.60 -2.05 114.58 119.88 3itu h GLU 829 Ca 0.28 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3itu h GLU 829 Cb -0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3itu h GLU 829 CO -0.10 0.71 0.10 0.74 -0.73 0.00 0.00 179.01 179.73 3itu h PHE 830 N 0.35 0.33 0.00 0.92 -1.00 -0.78 -1.95 116.94 114.80 3itu h PHE 830 Ca 0.09 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3itu h PHE 830 Cb 0.46 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3itu h PHE 830 CO 0.04 0.33 -0.39 0.74 -1.61 0.00 0.00 178.31 177.42 3itu h PHE 831 N 0.23 0.00 -0.52 -0.55 0.04 -0.42 0.87 116.94 116.58 3itu h PHE 831 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3itu h PHE 831 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3itu h PHE 831 CO -0.02 0.39 0.28 0.77 -0.60 0.00 0.00 178.31 179.12 3itu h SER 832 N 0.00 0.66 0.12 2.17 0.02 -1.04 -0.30 113.55 115.17 3itu h SER 832 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3itu h SER 832 Cb 0.77 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3itu h SER 832 CO 0.05 0.57 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.65 3itu h GLN 833 N 0.69 -0.15 -0.92 3.45 4.15 -0.73 -2.05 115.11 119.56 3itu h GLN 833 Ca 0.18 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.72 3itu h GLN 833 Cb 0.07 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.71 3itu h GLN 833 CO -0.03 -0.09 0.56 0.78 -1.93 0.00 0.00 178.83 178.12 3itu h GLY 834 N -0.16 1.47 1.01 2.39 0.00 -0.53 -1.05 103.07 106.19 3itu h GLY 834 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3itu h GLY 834 CO 0.03 0.15 0.50 -0.55 0.00 0.00 0.00 176.54 176.67 3itu h ASP 835 N 0.91 0.86 -0.21 0.19 3.32 -0.92 0.05 116.42 120.62 3itu h ASP 835 Ca 0.45 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 3itu h ASP 835 Cb 0.41 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3itu h ASP 835 CO -0.25 0.63 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.78 3itu h LEU 836 N 1.02 0.51 0.03 1.55 3.38 -0.49 -2.19 115.31 119.11 3itu h LEU 836 Ca 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3itu h LEU 836 Cb -0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3itu h LEU 836 CO -0.06 0.60 -0.01 -0.33 0.09 0.00 0.00 178.44 178.73 3itu h GLU 837 N 0.51 -0.03 -0.64 1.13 5.08 -0.46 -2.39 114.58 117.77 3itu h GLU 837 Ca 0.10 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 3itu h GLU 837 Cb 0.39 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 3itu h GLU 837 CO 0.02 0.42 -0.20 0.87 -1.00 0.00 0.00 179.01 179.11 3itu h LYS 838 N -0.50 -0.04 0.00 2.33 1.57 -0.98 -0.89 116.57 118.07 3itu h LYS 838 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3itu h LYS 838 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3itu h LYS 838 CO 0.01 -0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 3itu h ALA 839 N 1.52 1.00 -0.43 3.86 0.00 -1.20 0.89 119.26 124.90 3itu h ALA 839 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3itu h ALA 839 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3itu h ALA 839 CO -0.68 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.57 3itu n MET 840 N -2.48 2.93 -0.81 0.00 0.00 -0.79 -4.99 117.12 110.98 3itu n MET 840 Ca -0.01 -2.31 0.00 0.00 0.00 0.00 0.00 57.70 55.39 3itu n MET 840 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 31.90 3itu n MET 840 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3itu n GLY 841 N 0.64 0.55 3.90 3.17 0.00 0.31 -5.06 105.19 108.69 3itu n GLY 841 Ca 0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3itu n GLY 841 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3itu s ASN 842 N -2.40 6.21 -0.34 1.61 0.01 -0.41 -4.99 114.94 114.64 3itu s ASN 842 Ca 0.00 0.21 -0.18 0.00 -0.71 0.00 0.00 52.86 52.18 3itu s ASN 842 Cb 0.00 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 3itu s ASN 842 CO 0.00 0.16 0.51 -0.13 -1.51 0.00 0.00 177.10 176.13 3itu s ARG 843 N -2.58 3.67 0.90 -0.60 1.81 -1.26 -3.25 118.95 117.64 3itu s ARG 843 Ca 0.34 -0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 54.14 3itu s ARG 843 Cb -0.13 -3.79 0.14 0.00 -0.45 0.00 0.00 34.95 30.72 3itu s ARG 843 CO 0.27 -0.61 1.15 -2.14 -0.68 0.00 0.00 175.30 173.29 3itu s PRO 844 N 2.38 1.09 0.66 3.54 0.02 -1.26 -5.00 135.00 136.43 3itu s PRO 844 Ca 0.19 1.57 -0.17 0.00 0.02 0.00 0.00 61.00 62.60 3itu s PRO 844 Cb -0.15 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3itu s PRO 844 CO 0.13 -2.59 0.74 -1.33 -0.33 0.00 0.00 177.00 173.62 3itu n MET 845 N -4.15 0.55 -0.27 5.54 2.81 -1.26 -4.81 117.12 115.53 3itu n MET 845 Ca 0.12 0.23 0.05 0.00 -1.81 0.00 0.00 57.70 56.28 3itu n MET 845 Cb 0.52 -1.98 0.27 0.00 -0.71 0.00 0.00 33.22 31.32 3itu n MET 845 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3itu h GLU 846 N 0.01 0.93 0.00 0.03 4.81 -1.94 -1.46 114.58 116.95 3itu h GLU 846 Ca -0.47 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3itu h GLU 846 Cb 1.36 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3itu h GLU 846 CO 0.47 0.61 -0.04 0.00 -0.73 0.00 0.00 179.01 179.32 3itu h MET 847 N 0.96 0.00 -0.02 1.92 -0.00 -1.95 -1.97 114.93 113.87 3itu h MET 847 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.07 3itu h MET 847 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 3itu h MET 847 CO -0.14 0.04 -0.26 -1.33 -0.00 0.00 0.00 176.91 175.22 3itu n MET 848 N -3.24 1.52 -3.70 -0.10 2.81 -0.58 -4.70 117.12 109.13 3itu n MET 848 Ca -0.01 -1.19 -0.38 0.00 -1.81 0.00 0.00 57.70 54.31 3itu n MET 848 Cb 0.22 -1.48 -0.12 0.00 -0.71 0.00 0.00 33.22 31.13 3itu n MET 848 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3itu s ASP 849 N -2.30 5.39 0.18 7.83 -1.08 -0.74 -3.52 116.67 122.42 3itu s ASP 849 Ca 0.24 -0.46 0.21 0.00 -0.52 0.00 0.00 52.55 52.01 3itu s ASP 849 Cb 0.19 -1.97 0.86 0.00 -1.46 0.00 0.00 42.92 40.55 3itu s ASP 849 CO 0.46 -0.15 1.63 -2.11 0.52 0.00 0.00 175.17 175.52 3itu n ARG 850 N 4.95 0.13 0.05 4.34 1.85 -1.26 -0.63 116.66 126.09 3itu n ARG 850 Ca -0.15 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.19 3itu n ARG 850 Cb 0.50 -1.75 0.09 0.00 -1.05 0.00 0.00 32.46 30.24 3itu n ARG 850 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3itu n GLU 851 N -2.00 0.34 -0.01 2.89 -0.58 -1.26 -4.49 120.64 115.53 3itu n GLU 851 Ca 0.03 0.06 -0.01 0.00 -0.42 0.00 0.00 57.16 56.81 3itu n GLU 851 Cb 0.21 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 3itu n GLU 851 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3itu n LYS 852 N -2.14 3.50 -1.72 3.49 5.02 -0.55 -5.03 118.16 120.72 3itu n LYS 852 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3itu n LYS 852 Cb 0.46 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 3itu n LYS 852 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itu n ALA 853 N -2.09 2.59 -3.87 7.82 0.00 0.20 -4.97 120.51 120.19 3itu n ALA 853 Ca -0.02 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 3itu n ALA 853 Cb 0.54 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 3itu n ALA 853 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3itu s TYR 854 N 0.80 3.65 0.20 0.00 5.04 -1.26 -4.96 117.35 120.81 3itu s TYR 854 Ca 0.72 -2.63 -0.16 0.00 -2.44 0.00 0.00 57.07 52.56 3itu s TYR 854 Cb -0.52 -3.07 0.19 0.00 0.35 0.00 0.00 41.96 38.91 3itu s TYR 854 CO 0.38 -0.96 1.62 0.82 -1.34 0.00 0.00 175.55 176.07 3itu h ILE 855 N 6.46 0.35 -0.56 3.14 5.03 -1.99 -2.27 117.51 127.68 3itu h ILE 855 Ca -0.10 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.74 3itu h ILE 855 Cb 1.04 0.35 -0.07 0.00 -3.03 0.00 0.00 36.82 35.11 3itu h ILE 855 CO 0.62 0.00 0.15 -0.65 -0.68 0.00 0.00 178.15 177.59 3itu h PRO 856 N -0.05 0.29 -0.36 2.37 0.11 -1.95 0.98 132.00 133.39 3itu h PRO 856 Ca 0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 3itu h PRO 856 Cb 0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3itu h PRO 856 CO -0.62 0.19 -0.22 1.49 -0.21 0.00 0.00 178.00 178.63 3itu h GLU 857 N 0.30 0.79 -0.38 1.05 4.81 -1.83 0.35 114.58 119.66 3itu h GLU 857 Ca 0.28 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3itu h GLU 857 Cb 0.38 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3itu h GLU 857 CO -0.34 0.99 0.19 -0.07 -0.73 0.00 0.00 179.01 179.05 3itu h LEU 858 N 0.57 0.50 -0.44 1.64 3.38 -1.19 -0.96 115.31 118.82 3itu h LEU 858 Ca 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3itu h LEU 858 Cb 0.78 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3itu h LEU 858 CO 0.06 0.49 0.12 1.56 0.09 0.00 0.00 178.44 180.76 3itu h GLN 859 N 0.48 0.70 -0.93 1.13 1.08 -0.67 -0.54 115.11 116.36 3itu h GLN 859 Ca 0.13 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3itu h GLN 859 Cb 0.12 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3itu h GLN 859 CO -0.02 0.69 0.58 0.82 -0.95 0.00 0.00 178.83 179.96 3itu h ILE 860 N 0.58 1.25 -0.03 2.54 2.04 -0.74 -0.52 117.51 122.63 3itu h ILE 860 Ca 0.14 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3itu h ILE 860 Cb 0.30 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3itu h ILE 860 CO -0.00 0.25 0.01 0.28 0.00 0.00 0.00 178.15 178.70 3itu h SER 861 N 1.28 0.05 -0.58 1.72 0.02 -0.92 0.15 113.55 115.27 3itu h SER 861 Ca 0.34 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3itu h SER 861 Cb -0.09 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3itu h SER 861 CO -0.07 0.21 0.28 0.15 -1.14 0.00 0.00 176.83 176.26 3itu h PHE 862 N -0.12 0.50 -0.23 3.45 3.57 -0.84 0.93 116.94 124.21 3itu h PHE 862 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3itu h PHE 862 Cb 0.18 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3itu h PHE 862 CO -0.02 0.21 0.06 0.52 -2.23 0.00 0.00 178.31 176.86 3itu h MET 863 N 0.52 0.37 -0.35 1.11 2.86 -0.83 -0.19 114.93 118.41 3itu h MET 863 Ca 0.27 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3itu h MET 863 Cb 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3itu h MET 863 CO -0.21 0.47 -0.16 0.93 1.06 0.00 0.00 176.91 179.01 3itu h GLU 864 N 0.19 0.73 0.00 1.72 5.08 -0.36 0.34 114.58 122.29 3itu h GLU 864 Ca 0.07 -0.31 -0.26 0.00 -1.00 0.00 0.00 59.36 57.86 3itu h GLU 864 Cb 0.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3itu h GLU 864 CO 0.00 0.92 -1.64 0.72 -1.00 0.00 0.00 179.01 178.02 3itu n HIS 865 N -4.32 0.99 0.01 4.33 8.25 0.29 -4.39 115.22 120.38 3itu n HIS 865 Ca -0.02 0.35 -0.01 0.00 -0.26 0.00 0.00 57.72 57.78 3itu n HIS 865 Cb 0.39 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.34 3itu n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3itu n ILE 866 N -3.00 0.86 0.08 1.59 5.41 -0.18 -4.78 119.36 119.34 3itu n ILE 866 Ca -0.15 0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.74 3itu n ILE 866 Cb 1.00 -1.54 -0.08 0.00 -0.71 0.00 0.00 39.64 38.32 3itu n ILE 866 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3itu h ALA 867 N -0.28 -0.14 -0.57 -1.39 0.00 -1.22 -2.96 119.26 112.70 3itu h ALA 867 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3itu h ALA 867 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3itu h ALA 867 CO 0.00 -0.54 0.34 0.52 0.00 0.00 0.00 179.25 179.57 3itu h MET 868 N -0.21 0.78 -0.27 0.00 2.86 -0.56 -1.58 114.93 115.94 3itu h MET 868 Ca -0.01 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3itu h MET 868 Cb 0.17 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3itu h MET 868 CO 0.02 0.57 0.16 -1.35 1.06 0.00 0.00 176.91 177.37 3itu h PRO 869 N 0.77 0.36 -0.21 -0.22 0.11 -1.76 0.46 132.00 131.51 3itu h PRO 869 Ca 0.20 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 3itu h PRO 869 Cb -0.01 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3itu h PRO 869 CO -0.04 0.26 -0.08 0.82 -0.21 0.00 0.00 178.00 178.75 3itu h ILE 870 N 0.37 1.30 0.00 4.15 2.04 -1.20 -1.83 117.51 122.34 3itu h ILE 870 Ca 0.10 -1.12 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 3itu h ILE 870 Cb -0.00 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3itu h ILE 870 CO -0.02 0.34 -0.46 1.88 0.00 0.00 0.00 178.15 179.90 3itu h TYR 871 N 0.13 0.00 -0.45 1.37 0.05 -0.74 -1.58 116.97 115.76 3itu h TYR 871 Ca 0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 3itu h TYR 871 Cb 0.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 3itu h TYR 871 CO 0.06 0.46 0.04 -0.22 -1.05 0.00 0.00 178.16 177.44 3itu h LYS 872 N 0.00 0.76 -0.78 4.88 1.63 -0.84 -0.49 116.57 121.72 3itu h LYS 872 Ca -0.00 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 3itu h LYS 872 Cb 1.06 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.57 3itu h LYS 872 CO 0.06 0.80 0.29 -0.07 -3.45 0.00 0.00 179.45 177.09 3itu h LEU 873 N 0.61 1.10 -0.56 5.20 3.38 -1.08 0.12 115.31 124.10 3itu h LEU 873 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3itu h LEU 873 Cb 0.44 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3itu h LEU 873 CO 0.02 0.99 0.36 0.25 0.09 0.00 0.00 178.44 180.15 3itu h LEU 874 N 1.15 0.63 -0.94 1.67 5.85 -1.13 -1.53 115.31 121.01 3itu h LEU 874 Ca 0.26 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3itu h LEU 874 Cb 0.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3itu h LEU 874 CO -0.02 0.45 0.31 -0.61 -0.34 0.00 0.00 178.44 178.23 3itu h GLN 875 N 0.74 1.07 -0.49 1.25 4.15 -0.80 0.16 115.11 121.19 3itu h GLN 875 Ca 0.21 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3itu h GLN 875 Cb -0.07 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 3itu h GLN 875 CO -0.05 0.86 0.13 -0.44 -1.93 0.00 0.00 178.83 177.40 3itu h ASP 876 N 1.05 0.69 0.80 -0.69 3.32 -0.03 -2.79 116.42 118.77 3itu h ASP 876 Ca 0.25 -0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 3itu h ASP 876 Cb 0.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3itu h ASP 876 CO -0.02 0.67 -1.31 -0.07 -1.72 0.00 0.00 179.24 176.79 3itu h LEU 877 N 0.72 0.00 -6.68 1.55 3.38 -0.84 -3.43 115.31 110.01 3itu h LEU 877 Ca 0.16 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.58 3itu h LEU 877 Cb 0.25 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.61 3itu h LEU 877 CO -0.00 0.72 -0.82 -0.36 0.09 0.00 0.00 178.44 178.07 3itu s PHE 878 N -2.82 0.54 0.47 1.13 0.08 0.51 -5.01 117.98 112.88 3itu s PHE 878 Ca -0.02 -1.29 0.20 0.00 0.12 0.00 0.00 56.93 55.95 3itu s PHE 878 Cb 0.08 -0.91 1.20 0.00 -0.57 0.00 0.00 43.02 42.83 3itu s PHE 878 CO 0.81 -0.83 1.93 -1.35 -0.10 0.00 0.00 175.22 175.68 3itu h PRO 879 N 7.64 0.24 0.00 0.24 0.11 -1.78 -0.27 132.00 138.18 3itu h PRO 879 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3itu h PRO 879 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3itu h PRO 879 CO 0.34 0.16 0.00 1.63 -0.21 0.00 0.00 178.00 179.92 3itu n LYS 880 N -4.43 0.22 0.00 1.05 5.02 -1.26 -2.15 118.16 116.61 3itu n LYS 880 Ca 0.14 0.14 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 3itu n LYS 880 Cb 0.62 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.70 3itu n LYS 880 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itu n ALA 881 N -1.24 2.81 -0.32 7.82 0.00 -0.11 -4.50 120.51 124.97 3itu n ALA 881 Ca 0.07 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3itu n ALA 881 Cb 0.09 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 18.62 3itu n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itu h ALA 882 N 3.67 1.80 0.00 0.00 0.00 -1.59 -1.06 119.26 122.08 3itu h ALA 882 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3itu h ALA 882 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3itu h ALA 882 CO 0.00 -0.12 -0.05 1.05 0.00 0.00 0.00 179.25 180.13 3itu h GLU 883 N 0.71 0.00 -0.26 0.00 4.11 -1.86 -1.75 114.58 115.52 3itu h GLU 883 Ca 0.52 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.91 3itu h GLU 883 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3itu h GLU 883 CO -0.29 0.05 -0.01 -0.07 0.07 0.00 0.00 179.01 178.76 3itu h LEU 884 N 0.00 0.46 -0.74 3.06 3.38 -1.53 -0.29 115.31 119.65 3itu h LEU 884 Ca -0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3itu h LEU 884 Cb 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3itu h LEU 884 CO 0.01 0.67 0.34 0.22 0.09 0.00 0.00 178.44 179.76 3itu h TYR 885 N 0.25 1.09 -0.53 1.13 3.20 -1.49 -1.42 116.97 119.20 3itu h TYR 885 Ca 0.07 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3itu h TYR 885 Cb 0.43 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3itu h TYR 885 CO 0.04 0.82 0.16 0.93 -1.64 0.00 0.00 178.16 178.47 3itu h GLU 886 N 1.05 0.80 -0.24 1.82 4.39 -1.03 0.50 114.58 121.88 3itu h GLU 886 Ca 0.25 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 3itu h GLU 886 Cb 0.15 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3itu h GLU 886 CO -0.03 0.70 0.05 0.00 -1.16 0.00 0.00 179.01 178.57 3itu h ARG 887 N 0.78 0.39 -0.35 2.33 3.08 -0.66 -1.18 114.38 118.76 3itu h ARG 887 Ca 0.18 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3itu h ARG 887 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3itu h ARG 887 CO -0.01 0.50 0.23 0.28 -1.07 0.00 0.00 179.97 179.91 3itu h VAL 888 N 0.20 1.10 -0.92 2.04 2.07 -0.75 0.14 116.25 120.13 3itu h VAL 888 Ca 0.07 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3itu h VAL 888 Cb 0.30 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3itu h VAL 888 CO 0.00 0.09 0.61 0.00 0.02 0.00 0.00 177.57 178.30 3itu h ALA 889 N 1.12 1.36 -0.41 1.67 0.00 -0.85 -0.54 119.26 121.61 3itu h ALA 889 Ca 0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 889 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3itu h ALA 889 CO -0.03 0.58 -0.01 0.77 0.00 0.00 0.00 179.25 180.56 3itu h SER 890 N 1.22 0.72 -0.42 0.00 0.02 -0.79 -1.38 113.55 112.92 3itu h SER 890 Ca 0.35 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3itu h SER 890 Cb -0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3itu h SER 890 CO -0.08 0.86 0.22 0.78 -1.14 0.00 0.00 176.83 177.46 3itu h ASN 891 N 0.57 0.57 -0.48 3.07 2.35 -0.37 -0.75 115.58 120.55 3itu h ASN 891 Ca 0.12 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3itu h ASN 891 Cb 0.49 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3itu h ASN 891 CO 0.02 0.50 0.21 -0.09 -1.65 0.00 0.00 177.43 176.42 3itu h ARG 892 N 0.64 0.70 -0.19 0.81 1.12 -0.78 -2.19 114.38 114.49 3itu h ARG 892 Ca 0.16 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.85 3itu h ARG 892 Cb 0.08 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 3itu h ARG 892 CO -0.02 0.62 -0.16 0.93 -3.11 0.00 0.00 179.97 178.22 3itu h GLU 893 N 0.63 0.32 -0.60 0.20 4.39 -0.82 -1.90 114.58 116.79 3itu h GLU 893 Ca 0.16 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 3itu h GLU 893 Cb 0.16 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3itu h GLU 893 CO -0.02 0.48 0.21 1.25 -1.16 0.00 0.00 179.01 179.77 3itu h HIS 894 N 0.29 0.91 -0.62 4.33 2.76 -0.52 -1.63 115.15 120.67 3itu h HIS 894 Ca 0.06 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3itu h HIS 894 Cb 0.47 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3itu h HIS 894 CO 0.01 0.72 0.05 -1.49 -1.30 0.00 0.00 177.93 175.92 3itu h TRP 895 N 0.87 1.13 -0.94 5.26 4.06 -1.02 -1.43 115.95 123.88 3itu h TRP 895 Ca 0.20 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3itu h TRP 895 Cb 0.22 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 3itu h TRP 895 CO 0.02 0.97 0.59 1.15 -3.56 0.00 0.00 178.44 177.61 3itu h THR 896 N 0.97 1.25 -0.27 1.49 2.02 -1.30 -2.52 112.91 114.55 3itu h THR 896 Ca 0.18 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 3itu h THR 896 Cb 0.49 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3itu h THR 896 CO 0.02 0.25 -0.27 0.50 0.37 0.00 0.00 175.52 176.39 3itu h LYS 897 N 1.28 0.54 -0.01 6.66 3.64 -0.60 -3.01 116.57 125.07 3itu h LYS 897 Ca 0.34 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3itu h LYS 897 Cb -0.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3itu h LYS 897 CO -0.07 0.76 -0.45 1.33 -2.27 0.00 0.00 179.45 178.75 3itu n VAL 898 N -4.10 0.00 0.18 2.00 0.24 -0.61 -4.47 118.33 111.58 3itu n VAL 898 Ca -0.00 -0.10 0.06 0.00 -2.04 0.00 0.00 64.34 62.25 3itu n VAL 898 Cb 0.43 0.58 0.52 0.00 -1.47 0.00 0.00 33.84 33.89 3itu n VAL 898 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3itu h SER 899 N 0.93 0.11 0.04 -1.34 0.02 -1.31 -1.49 113.55 110.52 3itu h SER 899 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3itu h SER 899 Cb 0.55 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3itu h SER 899 CO 0.00 0.18 -0.03 1.12 -1.14 0.00 0.00 176.83 176.96 3itu h HIS 900 N 0.13 0.00 0.00 3.45 2.07 -1.79 0.97 115.15 119.98 3itu h HIS 900 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3itu h HIS 900 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 3itu h HIS 900 CO 0.00 0.03 0.00 1.63 -3.07 0.00 0.00 177.93 176.52 3itu n LYS 901 N -4.27 0.19 0.00 5.12 5.02 -0.56 -1.69 118.16 121.98 3itu n LYS 901 Ca -0.03 0.50 0.15 0.00 -2.02 0.00 0.00 58.31 56.91 3itu n LYS 901 Cb 0.11 -1.93 0.71 0.00 -0.02 0.00 0.00 35.03 33.91 3itu n LYS 901 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3itu n PHE 902 N -2.29 0.00 -3.88 2.13 3.72 0.34 -4.68 117.46 112.79 3itu n PHE 902 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 3itu n PHE 902 Cb 0.17 -0.36 -0.10 0.00 -0.94 0.00 0.00 39.48 38.25 3itu n PHE 902 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3itu s THR 903 N -2.73 4.91 -0.58 4.37 2.01 -0.68 -5.03 115.64 117.91 3itu s THR 903 Ca 0.23 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 3itu s THR 903 Cb 0.20 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.49 3itu s THR 903 CO 0.49 0.42 1.34 -0.63 -0.69 0.00 0.00 174.62 175.55 3itu s ILE 904 N 0.67 3.85 0.06 1.82 -1.09 -1.26 -5.00 121.20 120.24 3itu s ILE 904 Ca 0.05 0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 59.06 3itu s ILE 904 Cb -0.13 -4.55 -0.06 0.00 -1.58 0.00 0.00 42.46 36.14 3itu s ILE 904 CO 0.01 -1.26 0.44 -0.13 -1.23 0.00 0.00 174.94 172.78 3itu s ARG 905 N 5.36 3.89 3.57 2.79 1.81 -1.26 -4.95 118.95 130.17 3itu s ARG 905 Ca 0.49 0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3itu s ARG 905 Cb -0.10 -3.09 0.00 0.00 -0.45 0.00 0.00 34.95 31.31 3itu s ARG 905 CO 0.25 0.60 0.00 0.41 -0.68 0.00 0.00 175.30 175.88 3itu n GLY 906 N 1.31 0.54 3.93 -3.53 0.00 -1.26 -4.68 105.19 101.50 3itu n GLY 906 Ca -0.10 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 3itu n GLY 906 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itu s LEU 907 N 0.00 4.28 0.91 0.99 1.43 -1.26 -5.10 118.68 119.94 3itu s LEU 907 Ca 0.00 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 3itu s LEU 907 Cb 0.00 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3itu s LEU 907 CO 0.00 0.03 0.49 -2.65 0.23 0.00 0.00 176.35 174.45 3itu n PRO 908 N -0.38 -0.21 -0.30 1.29 -0.02 -1.26 -4.81 135.00 129.31 3itu n PRO 908 Ca -0.05 -0.01 0.29 0.00 -2.02 0.00 0.00 63.50 61.71 3itu n PRO 908 Cb 0.53 -1.90 0.65 0.00 -0.02 0.00 0.00 33.50 32.76 3itu n PRO 908 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3itu h SER 909 N -1.41 0.18 0.00 2.55 0.02 -1.96 0.49 113.55 113.42 3itu h SER 909 Ca -0.44 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3itu h SER 909 Cb 1.29 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3itu h SER 909 CO 0.36 0.03 0.00 -0.46 -1.14 0.00 0.00 176.83 175.62 3itu n ASN 910 N -4.37 0.00 -2.09 3.07 0.23 -1.26 -4.87 115.26 105.97 3itu n ASN 910 Ca 0.25 -1.31 -0.19 0.00 -0.53 0.00 0.00 54.58 52.79 3itu n ASN 910 Cb 1.06 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.73 3itu n ASN 910 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3itu n ASN 911 N -0.81 -5.42 -4.24 0.53 5.03 0.16 -4.97 115.26 105.54 3itu n ASN 911 Ca 0.14 0.19 -0.27 0.00 0.87 0.00 0.00 54.58 55.52 3itu n ASN 911 Cb 0.06 -4.63 -0.15 0.00 -1.02 0.00 0.00 39.78 34.05 3itu n ASN 911 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3itu s SER 912 N -2.27 2.48 -0.13 6.41 0.15 -1.26 -4.95 113.70 114.12 3itu s SER 912 Ca 0.00 -0.45 0.17 0.00 0.70 0.00 0.00 55.95 56.38 3itu s SER 912 Cb 0.00 -0.24 0.71 0.00 -1.71 0.00 0.00 66.02 64.77 3itu s SER 912 CO 0.00 0.21 1.62 0.18 1.20 0.00 0.00 173.24 176.45 3itu n LEU 913 N 2.23 4.77 -0.03 3.45 4.77 -1.26 -4.38 117.00 126.55 3itu n LEU 913 Ca -0.16 -2.53 0.13 0.00 -0.03 0.00 0.00 56.01 53.42 3itu n LEU 913 Cb 0.53 -0.58 0.55 0.00 -2.33 0.00 0.00 43.42 41.59 3itu n LEU 913 CO 0.23 0.78 1.17 0.44 -1.33 0.00 0.00 177.39 178.69 3itu h ASP 914 N 3.84 0.26 0.00 -1.43 3.32 -2.00 0.18 116.42 120.60 3itu h ASP 914 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3itu h ASP 914 Cb 1.49 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3itu h ASP 914 CO 0.26 0.16 0.11 2.19 -1.72 0.00 0.00 179.24 180.24 3itu h PHE 915 N 0.29 0.00 0.00 4.55 -5.15 -2.04 -3.56 116.94 111.03 3itu h PHE 915 Ca 0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.01 3itu h PHE 915 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 3itu h PHE 915 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59