#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itu s GLN 591 N 0.00 4.58 0.47 0.38 -0.21 -1.26 -4.99 119.66 118.63 3itu s GLN 591 Ca 0.00 1.84 -0.24 0.00 0.02 0.00 0.00 55.36 56.98 3itu s GLN 591 Cb 0.00 -3.20 -0.07 0.00 1.00 0.00 0.00 33.01 30.74 3itu s GLN 591 CO 0.00 0.11 1.31 -1.25 -2.12 0.00 0.00 175.29 173.34 3itu s PRO 592 N -1.14 3.61 0.40 2.91 0.04 -1.26 -4.58 135.00 134.98 3itu s PRO 592 Ca 0.47 2.14 0.17 0.00 0.04 0.00 0.00 61.00 63.82 3itu s PRO 592 Cb -0.32 -2.50 1.07 0.00 0.04 0.00 0.00 34.50 32.78 3itu s PRO 592 CO 0.41 -0.78 1.80 -0.24 0.04 0.00 0.00 177.00 178.22 3itu h VAL 593 N 1.98 0.59 0.00 -0.36 3.04 -1.94 -0.21 116.25 119.35 3itu h VAL 593 Ca -0.50 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 3itu h VAL 593 Cb 1.27 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3itu h VAL 593 CO 0.60 0.08 -0.23 0.00 -1.01 0.00 0.00 177.57 177.01 3itu h ALA 594 N 1.61 1.39 -0.20 3.17 0.00 -1.92 -2.64 119.26 120.67 3itu h ALA 594 Ca 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3itu h ALA 594 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3itu h ALA 594 CO -0.26 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.38 3itu h ALA 595 N 1.77 1.80 0.02 0.00 0.00 -1.39 -3.03 119.26 118.42 3itu h ALA 595 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3itu h ALA 595 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3itu h ALA 595 CO 0.03 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 3itu h ILE 596 N 0.28 1.49 -1.85 0.00 2.04 -1.50 -3.47 117.51 114.49 3itu h ILE 596 Ca 0.07 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.06 3itu h ILE 596 Cb 0.03 2.70 -0.23 0.00 -0.74 0.00 0.00 36.82 38.58 3itu h ILE 596 CO -0.01 0.46 0.23 -0.62 0.00 0.00 0.00 178.15 178.21 3itu s ASP 597 N -5.99 -0.68 0.29 1.72 -1.08 -1.11 -4.99 116.67 104.83 3itu s ASP 597 Ca -0.16 1.24 0.25 0.00 -0.52 0.00 0.00 52.55 53.36 3itu s ASP 597 Cb -0.01 1.27 1.03 0.00 -1.46 0.00 0.00 42.92 43.74 3itu s ASP 597 CO 0.62 -0.21 1.74 0.77 0.52 0.00 0.00 175.17 178.61 3itu h SER 598 N 5.18 0.00 -0.35 -0.34 4.64 -1.82 -2.33 113.55 118.54 3itu h SER 598 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 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 0.10 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.86 3itu n ASN 599 N -2.33 2.97 -0.18 4.97 2.85 -1.26 -4.69 115.26 117.59 3itu n ASN 599 Ca 0.02 -1.91 0.17 0.00 -0.11 0.00 0.00 54.58 52.75 3itu n ASN 599 Cb 0.24 -0.23 0.52 0.00 1.24 0.00 0.00 39.78 41.54 3itu n ASN 599 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3itu h PHE 600 N 2.64 0.47 -0.48 1.20 3.57 -1.69 -2.26 116.94 120.40 3itu h PHE 600 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3itu h PHE 600 Cb 0.75 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3itu h PHE 600 CO 0.23 0.16 0.00 0.00 -2.23 0.00 0.00 178.31 176.47 3itu n ALA 601 N -2.53 2.86 -2.89 2.41 0.00 -1.26 -4.90 120.51 114.20 3itu n ALA 601 Ca 0.16 -1.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.14 3itu n ALA 601 Cb 0.60 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.81 6.38 0.57 0.00 0.15 -0.85 -4.75 113.70 114.39 3itu s SER 602 Ca 0.37 0.41 0.34 0.00 0.70 0.00 0.00 55.95 57.77 3itu s SER 602 Cb 0.23 -2.04 1.86 0.00 -1.71 0.00 0.00 66.02 64.37 3itu s SER 602 CO 0.19 0.34 2.04 -0.26 1.20 0.00 0.00 173.24 176.74 3itu h PHE 603 N 4.39 0.00 0.00 3.44 0.04 -1.92 -0.96 116.94 121.94 3itu h PHE 603 Ca -0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.25 3itu h PHE 603 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3itu h PHE 603 CO 0.71 0.00 0.00 1.79 -0.60 0.00 0.00 178.31 180.21 3itu h THR 604 N 0.00 0.00 -3.47 -1.55 1.35 -1.93 -3.46 112.91 103.84 3itu h THR 604 Ca 0.00 -0.68 -0.53 0.00 -0.55 0.00 0.00 66.41 64.65 3itu h THR 604 Cb 0.20 1.65 0.07 0.00 -1.73 0.00 0.00 68.15 68.34 3itu h THR 604 CO 0.00 0.00 0.78 -0.47 -0.25 0.00 0.00 175.52 175.58 3itu s TYR 605 N -3.38 2.91 -0.43 4.73 5.04 -0.37 -4.94 117.35 120.91 3itu s TYR 605 Ca 0.05 1.01 -0.12 0.00 -2.44 0.00 0.00 57.07 55.58 3itu s TYR 605 Cb 0.08 -3.89 0.07 0.00 0.35 0.00 0.00 41.96 38.56 3itu s TYR 605 CO 0.59 -2.87 0.30 0.95 -1.34 0.00 0.00 175.55 173.18 3itu s THR 606 N -0.23 4.67 0.37 4.34 -4.23 -1.26 -4.98 115.64 114.31 3itu s THR 606 Ca 0.59 -1.16 0.34 0.00 -1.18 0.00 0.00 61.69 60.28 3itu s THR 606 Cb -0.44 -3.78 0.37 0.00 1.34 0.00 0.00 72.50 69.99 3itu s THR 606 CO 0.48 -0.48 2.12 1.55 -0.54 0.00 0.00 174.62 177.75 3itu h PRO 607 N 8.54 0.00 0.00 3.99 0.13 -1.95 -1.61 132.00 141.10 3itu h PRO 607 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3itu h PRO 607 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3itu h PRO 607 CO 0.78 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 179.14 3itu n ARG 608 N -3.29 0.07 0.23 0.86 1.74 -1.26 -1.24 116.66 113.77 3itu n ARG 608 Ca -0.01 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3itu n ARG 608 Cb 0.22 -1.65 0.54 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.00 -3.16 0.55 0.02 -1.72 -3.44 113.55 105.80 3itu h SER 609 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3itu h SER 609 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3itu h SER 609 CO 0.00 0.23 0.60 -0.22 -1.14 0.00 0.00 176.83 176.30 3itu s LEU 610 N -7.48 4.35 0.46 5.07 2.96 -0.37 -4.97 118.68 118.69 3itu s LEU 610 Ca -0.02 1.96 -0.22 0.00 -0.22 0.00 0.00 54.13 55.63 3itu s LEU 610 Cb 0.13 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.14 3itu s LEU 610 CO 0.64 -0.50 0.82 -2.65 -1.32 0.00 0.00 176.35 173.34 3itu n PRO 611 N 4.30 0.98 -0.02 0.98 -0.02 -1.26 -4.86 135.00 135.09 3itu n PRO 611 Ca 0.09 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3itu n PRO 611 Cb 0.46 -1.87 0.49 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.06 0.40 0.00 -0.52 4.81 -1.93 -1.27 114.58 117.14 3itu h GLU 612 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3itu h GLU 612 Cb 1.37 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3itu h GLU 612 CO 0.54 0.27 0.00 -0.44 -0.73 0.00 0.00 179.01 178.64 3itu h ASP 613 N 0.42 0.00 -0.01 1.04 5.19 -2.03 -2.86 116.42 118.15 3itu h ASP 613 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3itu h ASP 613 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 3itu h ASP 613 CO -0.05 0.00 -0.35 0.47 -3.12 0.00 0.00 179.24 176.19 3itu n ASP 614 N -2.97 1.73 -0.10 6.45 9.92 -0.48 -4.73 116.55 126.37 3itu n ASP 614 Ca -0.01 -1.36 -0.14 0.00 -0.53 0.00 0.00 54.79 52.75 3itu n ASP 614 Cb 0.16 0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 41.06 3itu n ASP 614 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3itu h THR 615 N 1.97 1.29 -0.62 -3.53 1.35 -1.49 -2.00 112.91 109.87 3itu h THR 615 Ca 0.00 -1.56 0.06 0.00 -0.55 0.00 0.00 66.41 64.36 3itu h THR 615 Cb 0.59 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.53 3itu h THR 615 CO 0.00 0.51 0.41 0.28 -0.25 0.00 0.00 175.52 176.47 3itu h SER 616 N 0.58 0.56 0.41 5.36 0.02 -1.85 -1.22 113.55 117.41 3itu h SER 616 Ca 0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 3itu h SER 616 Cb 0.97 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 3itu h SER 616 CO 0.09 0.37 -0.89 0.24 -1.14 0.00 0.00 176.83 175.49 3itu h MET 617 N 0.64 0.34 -0.62 3.45 2.07 -1.83 -2.50 114.93 116.48 3itu h MET 617 Ca 0.27 -0.35 -0.05 0.00 -2.07 0.00 0.00 59.70 57.50 3itu h MET 617 Cb 0.24 0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.04 3itu h MET 617 CO -0.08 1.04 0.19 0.00 1.07 0.00 0.00 176.91 179.13 3itu h ALA 618 N 0.84 1.17 0.44 6.32 0.00 -0.59 0.55 119.26 128.00 3itu h ALA 618 Ca -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3itu h ALA 618 Cb 1.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3itu h ALA 618 CO 0.15 0.58 -0.21 0.82 0.00 0.00 0.00 179.25 180.58 3itu h ILE 619 N 0.91 0.57 -0.63 0.00 1.08 -0.83 0.84 117.51 119.44 3itu h ILE 619 Ca 0.20 -0.04 0.13 0.00 -0.39 0.00 0.00 64.86 64.76 3itu h ILE 619 Cb 0.26 0.59 -0.12 0.00 -3.07 0.00 0.00 36.82 34.48 3itu h ILE 619 CO -0.01 0.01 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.26 3itu h LEU 620 N -0.62 -0.53 -0.76 1.44 3.38 -1.30 -0.55 115.31 116.38 3itu h LEU 620 Ca -0.06 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3itu h LEU 620 Cb 0.47 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3itu h LEU 620 CO 0.10 -0.19 0.46 0.28 0.09 0.00 0.00 178.44 179.18 3itu h SER 621 N 0.02 0.92 -0.55 -0.43 0.02 -0.58 0.94 113.55 113.88 3itu h SER 621 Ca 0.31 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3itu h SER 621 Cb 0.48 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3itu h SER 621 CO -0.63 0.71 0.20 0.24 -1.14 0.00 0.00 176.83 176.21 3itu h MET 622 N 1.04 0.83 0.00 3.45 2.86 -0.32 0.71 114.93 123.50 3itu h MET 622 Ca 0.27 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3itu h MET 622 Cb -0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3itu h MET 622 CO -0.05 0.74 -0.23 -0.07 1.06 0.00 0.00 176.91 178.36 3itu h LEU 623 N 0.75 0.00 0.19 1.22 3.38 -0.66 0.10 115.31 120.30 3itu h LEU 623 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 3itu h LEU 623 Cb 0.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.00 3itu h LEU 623 CO -0.01 0.23 -1.26 -0.61 0.09 0.00 0.00 178.44 176.87 3itu h GLN 624 N 0.00 0.40 -0.59 1.13 5.75 -0.16 -1.13 115.11 120.51 3itu h GLN 624 Ca -0.00 -0.68 0.08 0.00 -0.15 0.00 0.00 58.65 57.90 3itu h GLN 624 Cb 0.41 0.25 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 3itu h GLN 624 CO 0.03 1.32 0.39 0.22 -2.65 0.00 0.00 178.83 178.15 3itu h ASP 625 N -0.11 0.41 1.29 -0.69 3.58 0.79 0.27 116.42 121.96 3itu h ASP 625 Ca -0.23 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3itu h ASP 625 Cb 1.91 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.88 3itu h ASP 625 CO 0.19 0.26 0.00 0.23 -2.88 0.00 0.00 179.24 177.04 3itu n MET 626 N -4.47 0.19 -1.65 0.28 2.81 -0.01 -4.94 117.12 109.32 3itu n MET 626 Ca 0.09 0.17 -0.09 0.00 -1.81 0.00 0.00 57.70 56.06 3itu n MET 626 Cb 0.31 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.07 3itu n MET 626 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3itu n ASN 627 N -2.05 -3.74 0.19 7.83 4.05 0.96 -4.92 115.26 117.58 3itu n ASN 627 Ca 0.06 0.13 0.03 0.00 0.45 0.00 0.00 54.58 55.25 3itu n ASN 627 Cb 0.39 -2.46 0.38 0.00 1.23 0.00 0.00 39.78 39.32 3itu n ASN 627 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3itu h PHE 628 N 0.00 0.00 0.01 1.20 0.04 -1.46 -1.30 116.94 115.43 3itu h PHE 628 Ca -0.20 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 3itu h PHE 628 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 3itu h PHE 628 CO 0.26 0.35 -0.00 0.82 -0.60 0.00 0.00 178.31 179.13 3itu h ILE 629 N 0.00 1.36 -0.15 -0.55 2.04 -1.89 -1.90 117.51 116.42 3itu h ILE 629 Ca -0.00 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 3itu h ILE 629 Cb 0.63 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3itu h ILE 629 CO 0.05 0.29 -0.11 0.78 0.00 0.00 0.00 178.15 179.15 3itu h ASN 630 N -0.49 0.35 -0.40 1.72 2.35 -1.89 -0.24 115.58 116.99 3itu h ASN 630 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3itu h ASN 630 Cb 0.48 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3itu h ASN 630 CO 0.00 0.73 0.26 0.78 -1.65 0.00 0.00 177.43 177.55 3itu h ASN 631 N -0.02 0.45 -0.31 5.81 2.35 -1.23 -2.86 115.58 119.77 3itu h ASN 631 Ca 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3itu h ASN 631 Cb 0.61 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3itu h ASN 631 CO 0.03 0.33 0.00 -1.22 -1.65 0.00 0.00 177.43 174.92 3itu n TYR 632 N -4.48 0.67 -3.91 1.19 4.01 -0.72 -4.96 117.16 108.96 3itu n TYR 632 Ca 0.03 -0.66 -0.29 0.00 -0.16 0.00 0.00 57.90 56.82 3itu n TYR 632 Cb 0.06 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 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 0.09 -5.05 -2.49 -0.72 4.76 -0.45 -4.88 118.16 109.41 3itu n LYS 633 Ca 0.16 0.57 -0.41 0.00 -2.87 0.00 0.00 58.31 55.75 3itu n LYS 633 Cb 0.62 -5.33 -0.04 0.00 -1.84 0.00 0.00 35.03 28.44 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 -3.41 3.83 -0.11 -0.18 -1.09 -0.23 -4.98 121.20 115.03 3itu s ILE 634 Ca 0.50 1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 60.19 3itu s ILE 634 Cb -0.26 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 3itu s ILE 634 CO 0.84 0.26 1.32 -0.62 -1.23 0.00 0.00 174.94 175.52 3itu s ASP 635 N -0.04 6.91 0.14 3.58 2.15 -1.26 -4.86 116.67 123.30 3itu s ASP 635 Ca 0.50 1.85 -0.17 0.00 0.43 0.00 0.00 52.55 55.16 3itu s ASP 635 Cb -0.30 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.77 3itu s ASP 635 CO 0.35 -0.75 1.77 0.00 -0.17 0.00 0.00 175.17 176.38 3itu h PRO 637 N 0.47 0.48 -0.45 0.00 0.11 -1.99 -0.16 132.00 130.47 3itu h PRO 637 Ca 0.13 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3itu h PRO 637 Cb 0.00 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3itu h PRO 637 CO -0.02 0.32 0.02 1.15 -0.21 0.00 0.00 178.00 179.25 3itu h THR 638 N 0.50 1.26 -0.81 -1.15 2.02 -1.68 -1.46 112.91 111.59 3itu h THR 638 Ca 0.41 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 3itu h THR 638 Cb 0.59 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3itu h THR 638 CO -0.37 0.35 0.35 0.25 0.37 0.00 0.00 175.52 176.46 3itu h LEU 639 N 0.63 1.09 -0.50 2.58 5.85 -0.38 0.29 115.31 124.87 3itu h LEU 639 Ca 0.13 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3itu h LEU 639 Cb 0.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3itu h LEU 639 CO 0.02 0.94 0.32 0.00 -0.34 0.00 0.00 178.44 179.38 3itu h ALA 640 N 1.21 0.64 -0.05 1.25 0.00 -0.87 0.03 119.26 121.47 3itu h ALA 640 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3itu h ALA 640 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3itu h ALA 640 CO -0.03 0.11 0.01 0.00 0.00 0.00 0.00 179.25 179.34 3itu h ARG 641 N 0.68 0.08 -0.25 0.00 3.08 -0.65 -1.68 114.38 115.63 3itu h ARG 641 Ca 0.18 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.27 3itu h ARG 641 Cb -0.04 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3itu h ARG 641 CO -0.04 0.29 -0.12 0.35 -1.07 0.00 0.00 179.97 179.38 3itu h PHE 642 N -0.15 -0.29 -0.64 3.04 3.57 -0.88 -0.44 116.94 121.16 3itu h PHE 642 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3itu h PHE 642 Cb 0.25 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3itu h PHE 642 CO 0.01 -0.18 0.40 0.00 -2.23 0.00 0.00 178.31 176.30 3itu h LEU 644 N 0.78 0.59 -0.29 0.00 3.38 -0.89 -1.13 115.31 117.74 3itu h LEU 644 Ca 0.26 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 3itu h LEU 644 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3itu h LEU 644 CO -0.11 0.74 -0.86 0.24 0.09 0.00 0.00 178.44 178.54 3itu h MET 645 N 0.56 0.28 -0.25 1.13 2.86 0.02 -0.75 114.93 118.77 3itu h MET 645 Ca 0.10 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 3itu h MET 645 Cb 0.52 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3itu h MET 645 CO 0.03 0.98 -0.08 0.28 1.06 0.00 0.00 176.91 179.18 3itu h VAL 646 N 0.16 1.29 -0.75 -2.22 2.07 -0.79 -1.99 116.25 114.03 3itu h VAL 646 Ca -0.05 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3itu h VAL 646 Cb 1.47 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 3itu h VAL 646 CO 0.14 0.34 0.47 0.50 0.02 0.00 0.00 177.57 179.04 3itu h LYS 647 N 0.22 0.89 0.00 1.57 3.64 -1.07 -1.30 116.57 120.52 3itu h LYS 647 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3itu h LYS 647 Cb 0.56 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3itu h LYS 647 CO 0.03 0.59 0.00 -0.22 -2.27 0.00 0.00 179.45 177.58 3itu h LYS 648 N 0.92 0.00 -0.01 1.90 3.64 -0.81 -2.85 116.57 119.36 3itu h LYS 648 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3itu h LYS 648 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3itu h LYS 648 CO -0.11 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.48 3itu n GLY 649 N 0.05 -0.70 3.81 5.01 0.00 -0.49 -4.77 105.19 108.09 3itu n GLY 649 Ca 0.01 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 3.67 0.00 1.61 2.02 -1.08 -0.71 117.35 120.87 3itu s TYR 650 Ca 0.44 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 3itu s TYR 650 Cb 0.21 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3itu s TYR 650 CO 0.35 0.53 0.00 0.54 -1.57 0.00 0.00 175.55 175.40 3itu n ARG 651 N 2.30 0.48 -2.96 -0.62 1.74 -1.26 -4.81 116.66 111.53 3itu n ARG 651 Ca -0.13 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.71 3itu n ARG 651 Cb 0.52 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.93 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 -2.53 3.43 -4.74 0.55 2.03 -1.26 -4.25 116.55 109.78 3itu n ASP 652 Ca 0.00 -3.48 -0.30 0.00 0.52 0.00 0.00 54.79 51.54 3itu n ASP 652 Cb 0.00 -0.57 0.13 0.00 -0.72 0.00 0.00 41.12 39.97 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 -3.19 1.31 0.38 -0.67 0.04 -1.26 -4.93 135.00 126.67 3itu s PRO 653 Ca 0.46 0.69 0.08 0.00 0.04 0.00 0.00 61.00 62.27 3itu s PRO 653 Cb 0.31 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.86 3itu s PRO 653 CO -0.12 -2.17 1.97 -1.35 0.04 0.00 0.00 177.00 175.36 3itu h PRO 654 N -1.49 0.62 0.00 0.56 0.11 -1.96 -3.37 132.00 126.47 3itu h PRO 654 Ca -0.50 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 3itu h PRO 654 Cb 1.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3itu h PRO 654 CO 0.57 0.41 -1.34 0.98 -0.21 0.00 0.00 178.00 178.41 3itu n TYR 655 N -4.48 0.00 -2.14 0.65 9.36 -1.26 -4.84 117.16 114.44 3itu n TYR 655 Ca 0.10 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.90 3itu n TYR 655 Cb 0.27 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.68 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 -3.47 2.90 -4.48 2.98 8.25 -1.26 -4.36 115.22 115.79 3itu n HIS 656 Ca -0.16 -2.83 -0.24 0.00 -0.26 0.00 0.00 57.72 54.23 3itu n HIS 656 Cb 0.56 -2.03 -0.06 0.00 1.12 0.00 0.00 29.99 29.58 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 3.70 1.50 -0.30 0.41 0.23 -1.26 -4.50 115.26 115.04 3itu n ASN 657 Ca 0.47 -2.95 0.12 0.00 -0.53 0.00 0.00 54.58 51.69 3itu n ASN 657 Cb 0.34 0.84 0.35 0.00 -2.08 0.00 0.00 39.78 39.22 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 1.55 0.92 -0.03 -2.53 2.91 -1.88 -1.33 115.95 115.56 3itu h TRP 658 Ca -0.30 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.71 3itu h TRP 658 Cb 1.09 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.45 3itu h TRP 658 CO 0.00 0.31 -0.16 0.52 -1.03 0.00 0.00 178.44 178.08 3itu h MET 659 N 0.75 0.04 0.38 2.65 2.86 -1.96 0.30 114.93 119.95 3itu h MET 659 Ca 0.48 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.10 3itu h MET 659 Cb 0.73 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3itu h MET 659 CO -0.25 0.20 -0.18 1.25 1.06 0.00 0.00 176.91 179.00 3itu h HIS 660 N 0.04 -0.47 -0.83 -0.22 -0.00 -1.45 -0.87 115.15 111.35 3itu h HIS 660 Ca 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3itu h HIS 660 Cb 0.31 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3itu h HIS 660 CO 0.00 -0.26 0.38 0.00 -0.00 0.00 0.00 177.93 178.06 3itu h ALA 661 N 0.04 1.11 0.13 5.26 0.00 -0.98 -0.59 119.26 124.23 3itu h ALA 661 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3itu h ALA 661 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3itu h ALA 661 CO 0.09 0.66 -0.16 0.35 0.00 0.00 0.00 179.25 180.19 3itu h PHE 662 N 1.19 -0.42 -0.36 0.00 3.57 -0.44 -0.99 116.94 119.48 3itu h PHE 662 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3itu h PHE 662 Cb 0.14 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3itu h PHE 662 CO 0.02 -0.24 0.23 0.66 -2.23 0.00 0.00 178.31 176.75 3itu h SER 663 N -0.34 0.42 -0.18 0.41 4.64 -0.89 0.19 113.55 117.79 3itu h SER 663 Ca 0.01 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3itu h SER 663 Cb 0.34 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3itu h SER 663 CO -0.07 0.31 -0.59 0.58 -0.87 0.00 0.00 176.83 176.19 3itu h VAL 664 N 0.49 1.29 -0.39 0.95 2.07 -0.66 -1.95 116.25 118.05 3itu h VAL 664 Ca 0.13 -1.80 -0.11 0.00 0.82 0.00 0.00 66.70 65.74 3itu h VAL 664 Cb -0.05 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3itu h VAL 664 CO -0.03 0.58 -0.21 0.28 0.02 0.00 0.00 177.57 178.21 3itu h SER 665 N 0.59 0.85 -0.69 0.57 0.02 -0.65 -1.80 113.55 112.44 3itu h SER 665 Ca 0.00 -0.41 0.14 0.00 -0.84 0.00 0.00 61.79 60.67 3itu h SER 665 Cb 1.19 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 3itu h SER 665 CO 0.13 1.08 0.18 -0.74 -1.14 0.00 0.00 176.83 176.33 3itu h HIS 666 N 0.63 0.29 -0.52 3.45 6.17 -0.59 -1.56 115.15 123.02 3itu h HIS 666 Ca 0.08 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.21 3itu h HIS 666 Cb 0.77 -0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.65 3itu h HIS 666 CO 0.06 -0.03 0.34 0.35 0.71 0.00 0.00 177.93 179.36 3itu h PHE 667 N 0.30 0.66 -0.60 5.26 3.57 -0.85 0.32 116.94 125.60 3itu h PHE 667 Ca 0.37 0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.01 3itu h PHE 667 Cb 0.59 -0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.01 3itu h PHE 667 CO -0.24 0.43 -0.03 0.00 -2.23 0.00 0.00 178.31 176.23 3itu h TYR 669 N 0.09 0.69 -0.53 0.00 3.20 -0.71 -1.49 116.97 118.20 3itu h TYR 669 Ca 0.31 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 3itu h TYR 669 Cb 0.49 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3itu h TYR 669 CO -0.39 0.36 0.12 -0.07 -1.64 0.00 0.00 178.16 176.54 3itu h LEU 670 N 0.71 0.77 -0.79 2.82 3.38 0.02 -0.20 115.31 122.03 3itu h LEU 670 Ca 0.27 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3itu h LEU 670 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3itu h LEU 670 CO -0.14 0.77 0.18 -0.07 0.09 0.00 0.00 178.44 179.27 3itu h LEU 671 N 0.79 1.03 0.05 1.67 3.38 -0.40 0.78 115.31 122.62 3itu h LEU 671 Ca 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3itu h LEU 671 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3itu h LEU 671 CO 0.00 0.98 -0.03 0.22 0.09 0.00 0.00 178.44 179.70 3itu h TYR 672 N 1.04 -0.07 -0.03 1.13 3.20 -0.60 0.14 116.97 121.79 3itu h TYR 672 Ca 0.22 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3itu h TYR 672 Cb 0.34 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3itu h TYR 672 CO 0.03 0.05 -0.51 0.87 -1.64 0.00 0.00 178.16 176.95 3itu h LYS 673 N -0.17 0.09 0.00 1.82 1.79 -0.84 -3.35 116.57 115.90 3itu h LYS 673 Ca -0.01 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 3itu h LYS 673 Cb 0.14 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 3itu h LYS 673 CO 0.01 0.58 -2.09 0.09 -1.08 0.00 0.00 179.45 176.96 3itu n ASN 674 N -3.94 0.73 -4.79 0.86 3.02 0.25 -5.00 115.26 106.40 3itu n ASN 674 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.31 3itu n ASN 674 Cb 0.53 1.21 -0.05 0.00 -0.61 0.00 0.00 39.78 40.86 3itu n ASN 674 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3itu s LEU 675 N -4.98 3.58 -1.21 3.41 1.43 0.03 -4.94 118.68 116.02 3itu s LEU 675 Ca -0.08 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3itu s LEU 675 Cb 0.07 -2.12 0.20 0.00 0.03 0.00 0.00 46.19 44.37 3itu s LEU 675 CO 0.73 -0.13 2.06 -0.62 0.23 0.00 0.00 176.35 178.61 3itu n GLU 676 N -1.17 4.70 0.15 1.70 -0.58 -1.26 -4.63 120.64 119.55 3itu n GLU 676 Ca -0.06 -3.93 0.00 0.00 -0.42 0.00 0.00 57.16 52.75 3itu n GLU 676 Cb 0.59 -2.61 0.26 0.00 -0.57 0.00 0.00 31.44 29.11 3itu n GLU 676 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3itu h LEU 677 N 5.49 0.06 -1.28 -4.62 3.38 -1.80 -0.90 115.31 115.65 3itu h LEU 677 Ca 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3itu h LEU 677 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3itu h LEU 677 CO 1.40 0.52 0.00 0.71 0.09 0.00 0.00 178.44 181.16 3itu h THR 678 N 0.05 0.00 0.00 0.22 1.35 -1.84 -0.09 112.91 112.59 3itu h THR 678 Ca 0.00 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.61 3itu h THR 678 Cb 0.84 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3itu h THR 678 CO 0.06 0.00 -0.20 -1.13 -0.25 0.00 0.00 175.52 174.01 3itu h ASN 679 N 0.00 0.00 0.00 5.36 -1.24 -1.55 -3.36 115.58 114.79 3itu h ASN 679 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3itu h ASN 679 Cb 0.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 3itu h ASN 679 CO 0.00 0.20 -1.45 -1.22 -1.29 0.00 0.00 177.43 173.66 3itu n TYR 680 N -3.50 0.00 -4.15 0.67 4.01 -0.21 -5.01 117.16 108.97 3itu n TYR 680 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 3itu n TYR 680 Cb 0.36 -0.25 -0.12 0.00 -0.31 0.00 0.00 39.34 39.01 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 -3.84 2.20 0.64 7.72 1.43 -0.24 -4.93 118.68 121.66 3itu s LEU 681 Ca -0.04 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 3itu s LEU 681 Cb 0.05 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 3itu s LEU 681 CO 0.38 -0.09 1.20 -1.61 0.23 0.00 0.00 176.35 176.46 3itu s GLU 682 N -1.24 2.70 0.28 1.70 2.02 -1.26 -4.43 118.70 118.47 3itu s GLU 682 Ca -0.05 1.78 -0.03 0.00 0.02 0.00 0.00 54.97 56.69 3itu s GLU 682 Cb -0.08 -1.90 0.38 0.00 0.10 0.00 0.00 34.13 32.63 3itu s GLU 682 CO 0.01 -1.41 1.95 -0.44 0.02 0.00 0.00 175.26 175.39 3itu h ASP 683 N 0.46 1.01 -0.45 -0.19 3.32 -1.97 -1.49 116.42 117.11 3itu h ASP 683 Ca -0.49 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.45 3itu h ASP 683 Cb 1.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3itu h ASP 683 CO 0.53 0.74 0.02 -0.29 -1.72 0.00 0.00 179.24 178.53 3itu h ILE 684 N 1.18 1.25 -0.34 0.35 6.09 -1.99 0.24 117.51 124.28 3itu h ILE 684 Ca 0.31 -1.00 -0.04 0.00 -1.37 0.00 0.00 64.86 62.77 3itu h ILE 684 Cb -0.11 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3itu h ILE 684 CO -0.07 0.36 0.06 -0.33 -3.07 0.00 0.00 178.15 175.11 3itu h GLU 685 N 0.79 0.55 -0.53 2.19 5.08 -1.67 -0.23 114.58 120.78 3itu h GLU 685 Ca 0.16 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3itu h GLU 685 Cb 0.44 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3itu h GLU 685 CO 0.02 0.63 0.25 0.82 -1.00 0.00 0.00 179.01 179.73 3itu h ILE 686 N 0.39 1.20 -0.50 3.13 2.04 -0.91 -0.40 117.51 122.47 3itu h ILE 686 Ca 0.10 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3itu h ILE 686 Cb 0.33 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3itu h ILE 686 CO 0.00 0.22 0.26 0.15 0.00 0.00 0.00 178.15 178.79 3itu h PHE 687 N 0.71 0.69 -0.85 1.37 3.57 -0.84 -1.83 116.94 119.75 3itu h PHE 687 Ca 0.18 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3itu h PHE 687 Cb 0.12 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3itu h PHE 687 CO -0.00 0.53 0.41 0.00 -2.23 0.00 0.00 178.31 177.01 3itu h ALA 688 N 1.10 1.11 -0.26 2.41 0.00 -0.84 -1.72 119.26 121.06 3itu h ALA 688 Ca 0.17 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3itu h ALA 688 Cb 0.07 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3itu h ALA 688 CO -0.03 0.67 -0.10 1.25 0.00 0.00 0.00 179.25 181.05 3itu h LEU 689 N 1.22 -0.35 -0.42 0.00 5.85 -0.85 0.23 115.31 120.98 3itu h LEU 689 Ca 0.29 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 3itu h LEU 689 Cb 0.12 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3itu h LEU 689 CO -0.04 -0.13 0.19 0.15 -0.34 0.00 0.00 178.44 178.27 3itu h PHE 690 N -0.05 0.63 -0.35 1.25 3.57 -0.75 -0.12 116.94 121.11 3itu h PHE 690 Ca 0.13 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3itu h PHE 690 Cb 0.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3itu h PHE 690 CO -0.29 0.53 -0.03 0.82 -2.23 0.00 0.00 178.31 177.11 3itu h ILE 691 N 0.54 1.27 -0.98 1.41 1.08 -1.22 -2.32 117.51 117.29 3itu h ILE 691 Ca 0.14 -1.05 0.11 0.00 -0.39 0.00 0.00 64.86 63.68 3itu h ILE 691 Cb 0.15 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 35.06 3itu h ILE 691 CO -0.02 0.35 0.62 0.28 -0.69 0.00 0.00 178.15 178.69 3itu h SER 692 N 0.45 0.91 -0.70 1.72 0.02 -0.33 -1.70 113.55 113.91 3itu h SER 692 Ca 0.10 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3itu h SER 692 Cb 0.51 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3itu h SER 692 CO 0.02 0.50 0.16 0.00 -1.14 0.00 0.00 176.83 176.38 3itu h MET 694 N 1.05 0.79 -0.00 0.00 2.07 -0.87 -3.11 114.93 114.86 3itu h MET 694 Ca 0.22 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 3itu h MET 694 Cb 0.38 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 3itu h MET 694 CO 0.00 0.52 -0.45 0.00 1.07 0.00 0.00 176.91 178.05 3itu h HIS 696 N 0.69 0.00 0.00 0.00 2.07 -0.63 -2.62 115.15 114.65 3itu h HIS 696 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3itu h HIS 696 Cb 0.52 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.47 3itu h HIS 696 CO 0.00 0.00 -0.44 -0.25 -3.07 0.00 0.00 177.93 174.17 3itu n ASP 697 N -2.74 1.73 -4.66 3.10 8.00 -1.26 -4.86 116.55 115.86 3itu n ASP 697 Ca 0.02 -3.50 -0.46 0.00 0.71 0.00 0.00 54.79 51.55 3itu n ASP 697 Cb 0.30 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.01 3.01 -0.80 0.64 4.77 -0.99 -1.62 117.00 121.01 3itu n LEU 698 Ca 0.17 1.09 -0.10 0.00 -0.03 0.00 0.00 56.01 57.13 3itu n LEU 698 Cb 0.72 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 3itu n LEU 698 CO -0.03 -0.33 -0.10 -0.67 -1.33 0.00 0.00 177.39 174.93 3itu n ASP 699 N 3.35 -4.05 -4.76 -1.43 2.03 0.12 -4.38 116.55 107.42 3itu n ASP 699 Ca 0.17 0.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.27 3itu n ASP 699 Cb 0.28 -2.54 -0.01 0.00 -0.72 0.00 0.00 41.12 38.13 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 -2.38 2.74 -1.04 -0.67 2.46 -0.64 -4.90 115.29 110.86 3itu s HIS 700 Ca 0.00 1.00 0.15 0.00 0.47 0.00 0.00 55.06 56.67 3itu s HIS 700 Cb 0.00 -4.00 0.45 0.00 -0.13 0.00 0.00 32.58 28.90 3itu s HIS 700 CO 0.00 -3.14 1.38 0.54 -2.47 0.00 0.00 174.74 171.05 3itu n ARG 701 N 1.46 2.97 -0.89 2.88 3.00 -1.26 -4.39 116.66 120.43 3itu n ARG 701 Ca 0.05 -2.37 0.00 0.00 -0.01 0.00 0.00 57.85 55.51 3itu n ARG 701 Cb 0.39 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.37 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 0.66 0.51 3.20 -0.13 0.00 -1.26 -4.92 105.19 103.25 3itu n GLY 702 Ca 0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 1.15 0.40 2.61 -4.23 -1.26 -4.70 115.64 107.61 3itu s THR 703 Ca 0.00 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3itu s THR 703 Cb 0.00 -1.30 0.08 0.00 1.34 0.00 0.00 72.50 72.62 3itu s THR 703 CO 0.00 -0.37 0.55 -0.46 -0.54 0.00 0.00 174.62 173.80 3itu n ASN 704 N 0.85 0.62 -0.09 3.99 6.94 -1.26 -4.90 115.26 121.41 3itu n ASN 704 Ca -0.18 -1.55 -0.11 0.00 -0.02 0.00 0.00 54.58 52.72 3itu n ASN 704 Cb 0.56 -0.37 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 3itu n ASN 704 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3itu h ASN 705 N -0.40 0.49 -0.97 0.53 2.35 -2.00 -2.21 115.58 113.36 3itu h ASN 705 Ca -0.18 -0.35 0.09 0.00 -0.55 0.00 0.00 56.30 55.32 3itu h ASN 705 Cb 0.64 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 3itu h ASN 705 CO 0.18 0.72 0.62 0.28 -1.65 0.00 0.00 177.43 177.59 3itu h SER 706 N 0.25 0.94 -0.30 5.81 0.02 -2.00 -2.38 113.55 115.88 3itu h SER 706 Ca 0.07 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3itu h SER 706 Cb 0.49 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3itu h SER 706 CO 0.02 0.55 -0.01 0.15 -1.14 0.00 0.00 176.83 176.40 3itu h PHE 707 N 1.04 0.59 -0.72 3.45 3.57 -1.84 0.65 116.94 123.67 3itu h PHE 707 Ca 0.45 -0.11 0.16 0.00 3.53 0.00 0.00 57.97 62.00 3itu h PHE 707 Cb 0.35 -0.15 -0.12 0.00 2.79 0.00 0.00 35.95 38.81 3itu h PHE 707 CO -0.00 0.68 0.04 1.96 -2.23 0.00 0.00 178.31 178.76 3itu h GLN 708 N 0.33 0.13 0.17 1.11 1.08 -0.91 0.60 115.11 117.63 3itu h GLN 708 Ca 0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3itu h GLN 708 Cb 0.45 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3itu h GLN 708 CO 0.02 0.09 -0.08 0.28 -0.95 0.00 0.00 178.83 178.18 3itu h VAL 709 N 0.14 0.94 -0.75 -0.54 2.07 -1.14 -0.64 116.25 116.32 3itu h VAL 709 Ca 0.39 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3itu h VAL 709 Cb 0.68 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3itu h VAL 709 CO -0.60 0.14 0.46 0.00 0.02 0.00 0.00 177.57 177.58 3itu h ALA 710 N 0.24 1.00 -0.00 1.67 0.00 -0.69 -2.25 119.26 119.22 3itu h ALA 710 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3itu h ALA 710 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3itu h ALA 710 CO 0.04 0.20 -0.02 -1.13 0.00 0.00 0.00 179.25 178.34 3itu n SER 711 N -4.68 0.34 -3.73 0.00 3.41 0.19 -4.93 113.62 104.22 3itu n SER 711 Ca 0.09 -0.92 -0.23 0.00 -0.26 0.00 0.00 58.87 57.55 3itu n SER 711 Cb 0.13 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.82 -5.36 -1.20 4.33 5.02 -0.75 -4.96 118.16 114.43 3itu n LYS 712 Ca 0.20 0.64 -0.29 0.00 -2.02 0.00 0.00 58.31 56.84 3itu n LYS 712 Cb 0.20 -5.34 0.15 0.00 -0.02 0.00 0.00 35.03 30.01 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 -4.04 3.20 0.31 4.39 1.04 -0.32 -4.85 113.70 113.43 3itu s SER 713 Ca 0.20 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.02 3itu s SER 713 Cb -0.10 -2.06 0.51 0.00 0.10 0.00 0.00 66.02 64.47 3itu s SER 713 CO 0.81 -2.79 1.93 0.58 0.98 0.00 0.00 173.24 174.74 3itu h VAL 714 N -1.66 1.20 -0.83 5.02 2.07 -1.92 -1.34 116.25 118.78 3itu h VAL 714 Ca -0.51 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3itu h VAL 714 Cb 1.30 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3itu h VAL 714 CO 0.56 0.23 0.43 -0.07 0.02 0.00 0.00 177.57 178.74 3itu h LEU 715 N 0.87 1.06 -0.39 2.57 3.38 -1.93 -0.49 115.31 120.38 3itu h LEU 715 Ca 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3itu h LEU 715 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3itu h LEU 715 CO -0.03 0.87 0.18 0.00 0.09 0.00 0.00 178.44 179.54 3itu h ALA 716 N 1.30 0.51 -0.59 1.53 0.00 -1.60 0.66 119.26 121.07 3itu h ALA 716 Ca 0.29 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3itu h ALA 716 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3itu h ALA 716 CO -0.04 0.08 0.39 0.00 0.00 0.00 0.00 179.25 179.68 3itu h ALA 717 N 1.03 1.88 0.13 0.00 0.00 -0.33 0.08 119.26 122.05 3itu h ALA 717 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 3itu h ALA 717 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3itu h ALA 717 CO -0.02 0.01 -1.44 -0.07 0.00 0.00 0.00 179.25 177.74 3itu h LEU 718 N 0.52 0.43 -0.11 0.00 3.38 -0.58 -3.41 115.31 115.54 3itu h LEU 718 Ca 0.26 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3itu h LEU 718 Cb 0.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3itu h LEU 718 CO -0.08 1.44 0.00 -1.22 0.09 0.00 0.00 178.44 178.67 3itu n TYR 719 N -3.50 0.00 0.11 1.13 4.01 0.17 -4.84 117.16 114.24 3itu n TYR 719 Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.58 3itu n TYR 719 Cb 1.04 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 40.27 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 0.19 0.25 7.72 4.64 -1.16 -1.68 113.55 123.51 3itu h SER 720 Ca 0.00 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3itu h SER 720 Cb 0.01 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3itu h SER 720 CO 0.00 0.66 -0.21 0.77 -0.87 0.00 0.00 176.83 177.17 3itu h SER 721 N 0.14 0.00 -0.01 4.97 4.64 -1.89 -2.61 113.55 118.80 3itu h SER 721 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3itu h SER 721 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3itu h SER 721 CO 0.07 0.21 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.91 3itu n GLU 722 N -4.18 0.70 0.00 4.77 -0.58 -0.70 -5.08 120.64 115.57 3itu n GLU 722 Ca -0.02 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 3itu n GLU 722 Cb 0.28 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3itu n GLU 722 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3itu n GLY 723 N 1.45 -1.61 3.53 0.62 0.00 -0.78 -5.00 105.19 103.41 3itu n GLY 723 Ca 0.07 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.09 -5.06 -0.01 1.61 7.64 -1.26 -4.72 113.62 109.73 3itu n SER 724 Ca 0.00 -0.87 -0.10 0.00 1.01 0.00 0.00 58.87 58.91 3itu n SER 724 Cb 0.00 -4.15 -0.03 0.00 -1.01 0.00 0.00 64.21 59.01 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 -1.61 0.35 -0.34 0.44 2.07 -1.91 0.16 116.25 115.41 3itu h VAL 725 Ca -0.64 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3itu h VAL 725 Cb 1.34 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3itu h VAL 725 CO 0.48 0.00 -0.31 0.24 0.02 0.00 0.00 177.57 178.01 3itu h MET 726 N -0.33 0.80 -0.57 1.57 2.86 -1.93 -2.04 114.93 115.29 3itu h MET 726 Ca 0.11 -0.41 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 3itu h MET 726 Cb 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3itu h MET 726 CO -0.35 1.04 0.07 0.93 1.06 0.00 0.00 176.91 179.66 3itu h GLU 727 N 0.58 0.93 -0.89 1.72 3.07 -1.82 0.31 114.58 118.47 3itu h GLU 727 Ca 0.06 -0.24 0.03 0.00 -0.50 0.00 0.00 59.36 58.71 3itu h GLU 727 Cb 0.88 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 3itu h GLU 727 CO 0.08 0.87 0.58 0.00 -1.40 0.00 0.00 179.01 179.14 3itu h ARG 728 N 0.87 1.11 -0.64 2.33 3.08 -0.82 -1.42 114.38 118.89 3itu h ARG 728 Ca 0.18 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3itu h ARG 728 Cb 0.41 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3itu h ARG 728 CO 0.01 0.73 0.15 1.25 -1.07 0.00 0.00 179.97 181.04 3itu h HIS 729 N 1.14 1.09 -0.29 3.04 2.76 -0.51 -1.16 115.15 121.22 3itu h HIS 729 Ca 0.35 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3itu h HIS 729 Cb -0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 3itu h HIS 729 CO -0.01 0.91 0.15 0.45 -1.30 0.00 0.00 177.93 178.12 3itu h HIS 730 N 0.95 0.41 -0.41 5.26 3.86 -0.45 -0.30 115.15 124.48 3itu h HIS 730 Ca 0.20 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3itu h HIS 730 Cb 0.37 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3itu h HIS 730 CO 0.03 0.37 0.20 0.35 0.86 0.00 0.00 177.93 179.73 3itu h PHE 731 N 0.34 0.59 -0.69 2.45 3.57 -1.22 -0.96 116.94 121.02 3itu h PHE 731 Ca 0.10 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3itu h PHE 731 Cb 0.10 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 3itu h PHE 731 CO -0.02 0.49 0.45 0.00 -2.23 0.00 0.00 178.31 177.00 3itu h ALA 732 N 1.04 1.69 -0.48 2.41 0.00 -0.69 0.46 119.26 123.69 3itu h ALA 732 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3itu h ALA 732 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3itu h ALA 732 CO -0.02 0.22 -0.13 1.96 0.00 0.00 0.00 179.25 181.27 3itu h GLN 733 N 0.75 0.91 -0.45 0.00 1.08 -0.75 -1.03 115.11 115.62 3itu h GLN 733 Ca 0.29 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3itu h GLN 733 Cb 0.19 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3itu h GLN 733 CO -0.09 0.98 0.11 0.00 -0.95 0.00 0.00 178.83 178.88 3itu h ALA 734 N 1.03 0.59 -0.59 3.87 0.00 -0.14 -0.87 119.26 123.15 3itu h ALA 734 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3itu h ALA 734 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3itu h ALA 734 CO 0.05 0.27 0.38 0.82 0.00 0.00 0.00 179.25 180.77 3itu h ILE 735 N 0.59 1.13 -0.83 0.00 1.08 -0.67 -0.88 117.51 117.92 3itu h ILE 735 Ca 0.14 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3itu h ILE 735 Cb 0.32 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 3itu h ILE 735 CO 0.00 0.14 0.54 0.00 -0.69 0.00 0.00 178.15 178.14 3itu h ALA 736 N 1.23 1.09 0.06 1.87 0.00 -0.74 -0.51 119.26 122.26 3itu h ALA 736 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3itu h ALA 736 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3itu h ALA 736 CO -0.06 0.38 -0.03 0.82 0.00 0.00 0.00 179.25 180.36 3itu h ILE 737 N 1.05 1.09 -0.58 0.00 2.04 -0.62 -2.53 117.51 117.96 3itu h ILE 737 Ca 0.33 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3itu h ILE 737 Cb -0.02 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3itu h ILE 737 CO -0.11 0.13 0.38 -0.07 0.00 0.00 0.00 178.15 178.49 3itu h LEU 738 N -0.31 0.53 -0.17 1.44 3.38 -0.89 -1.48 115.31 117.80 3itu h LEU 738 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3itu h LEU 738 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3itu h LEU 738 CO 0.01 0.35 0.00 0.59 0.09 0.00 0.00 178.44 179.49 3itu n ASN 739 N -4.47 0.25 -4.79 -0.43 4.13 -0.22 -3.30 115.26 106.43 3itu n ASN 739 Ca 0.08 -1.51 -0.38 0.00 1.68 0.00 0.00 54.58 54.44 3itu n ASN 739 Cb 0.19 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 3itu n ASN 739 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3itu s THR 740 N -1.97 4.39 0.11 3.41 2.01 -0.56 -5.00 115.64 118.04 3itu s THR 740 Ca 0.26 1.63 -0.36 0.00 0.31 0.00 0.00 61.69 63.53 3itu s THR 740 Cb 0.12 -4.07 -0.17 0.00 0.01 0.00 0.00 72.50 68.40 3itu s THR 740 CO 0.20 0.41 1.28 1.57 -0.69 0.00 0.00 174.62 177.40 3itu n HIS 741 N 1.29 1.41 -0.99 4.92 -0.00 -1.26 -1.98 115.22 118.61 3itu n HIS 741 Ca -0.04 0.67 0.00 0.00 0.46 0.00 0.00 57.72 58.81 3itu n HIS 741 Cb 0.49 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.06 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 2.35 0.91 0.11 1.57 0.00 -1.26 -4.89 105.19 103.98 3itu n GLY 742 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.24 6.70 0.50 0.00 3.84 -1.21 -4.60 114.94 119.93 3itu s ASN 744 Ca 0.03 -2.14 0.34 0.00 0.21 0.00 0.00 52.86 51.30 3itu s ASN 744 Cb 0.02 -2.44 1.82 0.00 -0.55 0.00 0.00 41.25 40.10 3itu s ASN 744 CO 0.04 -1.09 2.03 0.16 -2.79 0.00 0.00 177.10 175.44 3itu h ILE 745 N 5.77 0.00 -0.11 -5.21 3.07 -1.88 -2.16 117.51 117.00 3itu h ILE 745 Ca 0.21 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.61 3itu h ILE 745 Cb 0.98 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 3itu h ILE 745 CO 1.21 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.80 3itu n PHE 746 N -2.69 0.12 0.36 0.16 3.72 -1.26 -4.76 117.46 113.12 3itu n PHE 746 Ca -0.02 -0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 3itu n PHE 746 Cb 0.06 -0.00 0.34 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.21 0.25 -0.27 4.37 5.68 -0.81 -0.89 116.55 126.09 3itu n ASP 747 Ca 0.14 0.57 0.12 0.00 -0.50 0.00 0.00 54.79 55.12 3itu n ASP 747 Cb 0.53 -0.62 0.17 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.78 0.00 -1.47 2.11 1.44 -1.26 -4.97 115.22 109.28 3itu n HIS 748 Ca 0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.38 3itu n HIS 748 Cb 0.15 -0.08 0.09 0.00 0.12 0.00 0.00 29.99 30.27 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 -2.62 2.03 0.75 -1.40 0.40 -0.07 -4.96 117.98 112.10 3itu s PHE 749 Ca 0.19 1.58 -0.15 0.00 -0.60 0.00 0.00 56.93 57.95 3itu s PHE 749 Cb 0.18 -3.52 0.05 0.00 0.51 0.00 0.00 43.02 40.24 3itu s PHE 749 CO 0.61 -2.69 1.23 -1.13 0.70 0.00 0.00 175.22 173.94 3itu n SER 750 N -2.59 1.41 -0.28 1.36 3.41 -1.26 -4.71 113.62 110.96 3itu n SER 750 Ca 0.14 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.52 3itu n SER 750 Cb 0.50 -1.52 0.23 0.00 -0.26 0.00 0.00 64.21 63.15 3itu n SER 750 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3itu h ARG 751 N -0.36 0.22 -0.05 4.33 3.08 -1.98 0.14 114.38 119.76 3itu h ARG 751 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3itu h ARG 751 Cb 1.32 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3itu h ARG 751 CO 0.49 0.15 0.03 0.87 -1.07 0.00 0.00 179.97 180.43 3itu h LYS 752 N 0.23 0.07 -0.30 0.04 1.57 -1.99 -1.16 116.57 115.03 3itu h LYS 752 Ca 0.48 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 3itu h LYS 752 Cb 0.90 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3itu h LYS 752 CO -0.60 0.04 -0.33 -0.44 -0.57 0.00 0.00 179.45 177.55 3itu h ASP 753 N 0.07 0.67 -0.47 0.86 3.32 -1.69 -0.86 116.42 118.31 3itu h ASP 753 Ca 0.02 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3itu h ASP 753 Cb -0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3itu h ASP 753 CO -0.01 0.95 0.28 0.22 -1.72 0.00 0.00 179.24 178.97 3itu h TYR 754 N 0.54 0.62 -0.44 4.55 3.20 -0.65 -1.04 116.97 123.75 3itu h TYR 754 Ca 0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3itu h TYR 754 Cb 0.83 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3itu h TYR 754 CO 0.04 0.44 0.12 0.37 -1.64 0.00 0.00 178.16 177.48 3itu h GLN 755 N 0.63 0.70 -0.94 1.82 5.75 -0.99 -1.84 115.11 120.23 3itu h GLN 755 Ca 0.17 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3itu h GLN 755 Cb -0.00 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3itu h GLN 755 CO -0.03 0.69 0.62 -0.09 -2.65 0.00 0.00 178.83 177.37 3itu h ARG 756 N 0.58 1.18 -0.22 1.69 9.65 -0.91 -0.69 114.38 125.65 3itu h ARG 756 Ca 0.14 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3itu h ARG 756 Cb 0.30 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3itu h ARG 756 CO -0.00 0.78 0.07 0.52 2.80 0.00 0.00 179.97 184.13 3itu h MET 757 N 1.21 0.35 -0.39 0.20 2.86 -0.87 -0.39 114.93 117.91 3itu h MET 757 Ca 0.37 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 3itu h MET 757 Cb -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3itu h MET 757 CO -0.11 0.45 0.23 -0.07 1.06 0.00 0.00 176.91 178.47 3itu h LEU 758 N 0.19 0.38 -0.68 1.22 3.38 -1.03 -0.03 115.31 118.75 3itu h LEU 758 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3itu h LEU 758 Cb 0.24 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3itu h LEU 758 CO -0.00 0.28 0.28 0.44 0.09 0.00 0.00 178.44 179.52 3itu h ASP 759 N 0.48 0.93 0.16 -0.43 3.32 -0.95 -0.98 116.42 118.94 3itu h ASP 759 Ca 0.15 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3itu h ASP 759 Cb -0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3itu h ASP 759 CO -0.07 0.84 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.15 3itu h LEU 760 N 0.96 -0.18 -0.68 1.55 3.38 -0.92 -1.48 115.31 117.94 3itu h LEU 760 Ca 0.23 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3itu h LEU 760 Cb 0.19 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3itu h LEU 760 CO -0.02 0.03 0.38 0.24 0.09 0.00 0.00 178.44 179.15 3itu h MET 761 N -0.38 0.68 0.09 1.13 2.86 -0.79 -0.09 114.93 118.43 3itu h MET 761 Ca -0.02 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3itu h MET 761 Cb 0.30 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3itu h MET 761 CO 0.04 0.45 -0.04 -0.09 1.06 0.00 0.00 176.91 178.32 3itu h ARG 762 N 0.70 -0.12 -0.71 1.72 2.43 -1.09 0.12 114.38 117.44 3itu h ARG 762 Ca 0.30 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3itu h ARG 762 Cb 0.19 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3itu h ARG 762 CO -0.18 -0.03 0.26 0.22 -1.51 0.00 0.00 179.97 178.74 3itu h ASP 763 N -0.18 0.98 0.01 -3.80 3.58 -0.93 -0.77 116.42 115.31 3itu h ASP 763 Ca -0.01 -0.15 -0.21 0.00 0.42 0.00 0.00 57.03 57.08 3itu h ASP 763 Cb 0.15 -0.25 0.02 0.00 1.72 0.00 0.00 39.33 40.96 3itu h ASP 763 CO 0.02 0.89 -0.81 0.40 -2.88 0.00 0.00 179.24 176.85 3itu h ILE 764 N 1.03 1.36 -0.43 2.25 2.04 -0.73 -1.58 117.51 121.45 3itu h ILE 764 Ca 0.24 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 63.85 3itu h ILE 764 Cb 0.23 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 3itu h ILE 764 CO -0.02 0.65 -0.02 0.40 0.00 0.00 0.00 178.15 179.16 3itu h ILE 765 N 0.11 1.26 0.00 -0.67 2.04 -0.70 -1.71 117.51 117.84 3itu h ILE 765 Ca -0.10 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 3itu h ILE 765 Cb 1.50 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3itu h ILE 765 CO 0.16 0.37 -0.01 -0.07 0.00 0.00 0.00 178.15 178.60 3itu h LEU 766 N 0.62 0.00 -0.54 1.44 3.38 -1.07 -1.79 115.31 117.35 3itu h LEU 766 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3itu h LEU 766 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3itu h LEU 766 CO 0.03 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3itu n ALA 767 N -2.34 1.75 1.00 1.53 0.00 -0.60 -2.78 120.51 119.06 3itu n ALA 767 Ca -0.03 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3itu n ALA 767 Cb 0.10 -1.39 0.56 0.00 0.00 0.00 0.00 19.45 18.72 3itu n ALA 767 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itu n THR 768 N -2.16 0.31 -2.23 0.00 -2.24 -0.67 -4.32 114.28 102.96 3itu n THR 768 Ca 0.03 0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 3itu n THR 768 Cb 0.25 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.73 6.83 0.54 3.42 -1.08 -1.12 -4.87 116.67 117.66 3itu s ASP 769 Ca 0.18 1.99 0.30 0.00 -0.52 0.00 0.00 52.55 54.51 3itu s ASP 769 Cb 0.16 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.61 3itu s ASP 769 CO 0.38 -0.79 2.09 -0.07 0.52 0.00 0.00 175.17 177.29 3itu h LEU 770 N 9.42 0.00 -1.22 -1.34 3.38 -1.92 0.12 115.31 123.75 3itu h LEU 770 Ca -0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3itu h LEU 770 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3itu h LEU 770 CO 0.94 0.09 0.53 0.00 0.09 0.00 0.00 178.44 180.10 3itu h ALA 771 N 1.91 1.46 -0.10 1.53 0.00 -1.94 -1.03 119.26 121.09 3itu h ALA 771 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3itu h ALA 771 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3itu h ALA 771 CO 0.01 0.48 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 3itu h HIS 772 N 1.05 0.27 -0.73 0.00 -0.00 -1.13 -1.35 115.15 113.26 3itu h HIS 772 Ca 0.30 -0.08 0.13 0.00 -0.00 0.00 0.00 60.37 60.73 3itu h HIS 772 Cb -0.06 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 27.20 3itu h HIS 772 CO -0.00 0.62 0.29 1.25 -0.00 0.00 0.00 177.93 180.10 3itu h HIS 773 N -0.16 0.51 -0.29 5.26 6.17 -1.04 -0.90 115.15 124.70 3itu h HIS 773 Ca 0.02 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.06 3itu h HIS 773 Cb 0.57 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.37 3itu h HIS 773 CO 0.08 0.08 -0.15 -0.07 0.71 0.00 0.00 177.93 178.59 3itu h LEU 774 N 0.45 0.49 -0.55 0.26 3.38 -1.09 -0.67 115.31 117.59 3itu h LEU 774 Ca 0.39 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 3itu h LEU 774 Cb 0.57 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3itu h LEU 774 CO -0.38 0.66 -0.11 0.03 0.09 0.00 0.00 178.44 178.73 3itu h ARG 775 N 0.46 1.04 -0.02 1.13 3.08 -0.03 -3.13 114.38 116.92 3itu h ARG 775 Ca 0.08 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3itu h ARG 775 Cb 0.53 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3itu h ARG 775 CO 0.03 1.09 -0.01 0.44 -1.07 0.00 0.00 179.97 180.45 3itu n ILE 776 N -4.14 0.00 -0.21 2.04 -5.35 -0.54 -4.50 119.36 106.66 3itu n ILE 776 Ca 0.01 -0.29 -0.01 0.00 -0.27 0.00 0.00 62.75 62.19 3itu n ILE 776 Cb 0.41 0.66 0.09 0.00 -1.74 0.00 0.00 39.64 39.07 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 2.71 0.55 -0.47 4.28 3.57 -1.07 0.24 116.94 126.76 3itu h PHE 777 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3itu h PHE 777 Cb 0.58 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3itu h PHE 777 CO 0.00 0.23 0.25 0.87 -2.23 0.00 0.00 178.31 177.43 3itu h LYS 778 N 0.56 0.65 -0.21 1.11 1.57 -1.81 0.22 116.57 118.66 3itu h LYS 778 Ca 0.29 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 3itu h LYS 778 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3itu h LYS 778 CO -0.22 0.49 -0.56 -0.44 -0.57 0.00 0.00 179.45 178.15 3itu h ASP 779 N 0.65 0.85 -0.37 0.86 3.32 -1.51 -0.18 116.42 120.04 3itu h ASP 779 Ca 0.17 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.67 3itu h ASP 779 Cb 0.04 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3itu h ASP 779 CO -0.03 1.27 0.17 -0.07 -1.72 0.00 0.00 179.24 178.87 3itu h LEU 780 N 0.47 0.24 -0.66 1.55 3.38 -0.54 -0.36 115.31 119.39 3itu h LEU 780 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3itu h LEU 780 Cb 1.18 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3itu h LEU 780 CO 0.12 0.18 0.41 1.56 0.09 0.00 0.00 178.44 180.80 3itu h GLN 781 N 0.35 0.78 -0.40 1.13 4.20 -0.74 -1.14 115.11 119.29 3itu h GLN 781 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3itu h GLN 781 Cb 0.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3itu h GLN 781 CO -0.13 0.51 0.21 -0.22 -0.67 0.00 0.00 178.83 178.53 3itu h LYS 782 N 0.80 0.57 -0.46 1.46 1.63 -0.71 0.91 116.57 120.76 3itu h LYS 782 Ca 0.27 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3itu h LYS 782 Cb 0.03 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 3itu h LYS 782 CO -0.11 0.48 0.27 1.98 -3.45 0.00 0.00 179.45 178.62 3itu h MET 783 N 0.51 0.53 -0.42 1.90 4.05 -0.67 -0.42 114.93 120.41 3itu h MET 783 Ca 0.14 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 3itu h MET 783 Cb 0.09 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3itu h MET 783 CO -0.02 0.35 0.09 0.00 0.23 0.00 0.00 176.91 177.56 3itu h ALA 784 N 1.21 1.37 -0.23 0.39 0.00 -0.87 -0.27 119.26 120.85 3itu h ALA 784 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3itu h ALA 784 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3itu h ALA 784 CO -0.09 0.45 0.05 0.93 0.00 0.00 0.00 179.25 180.59 3itu h GLU 785 N 0.62 0.38 0.00 0.00 5.08 0.31 -3.20 114.58 117.77 3itu h GLU 785 Ca 0.14 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3itu h GLU 785 Cb 0.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3itu h GLU 785 CO -0.00 0.49 -0.34 -0.39 -1.00 0.00 0.00 179.01 177.78 3itu h VAL 786 N 0.20 0.00 0.00 3.13 -1.51 -1.06 -3.50 116.25 113.51 3itu h VAL 786 Ca 0.07 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3itu h VAL 786 Cb 0.29 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3itu h VAL 786 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3itu n GLY 787 N 1.27 -0.01 3.69 5.19 0.00 -0.12 -4.95 105.19 110.26 3itu n GLY 787 Ca 0.04 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.33 2.22 -0.44 1.61 5.04 -1.24 -4.85 117.35 117.35 3itu s TYR 788 Ca 0.00 0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.53 3itu s TYR 788 Cb 0.00 -4.18 0.08 0.00 0.35 0.00 0.00 41.96 38.21 3itu s TYR 788 CO 0.00 -4.82 0.30 0.34 -1.34 0.00 0.00 175.55 170.02 3itu s ASP 789 N 2.57 5.75 0.60 4.32 -1.08 -1.26 -4.97 116.67 122.60 3itu s ASP 789 Ca 0.80 -1.51 0.29 0.00 -0.52 0.00 0.00 52.55 51.62 3itu s ASP 789 Cb -0.46 -2.03 1.54 0.00 -1.46 0.00 0.00 42.92 40.51 3itu s ASP 789 CO 0.36 -0.58 1.95 0.03 0.52 0.00 0.00 175.17 177.45 3itu h ARG 790 N 8.49 0.00 -0.51 4.34 3.08 -1.93 0.72 114.38 128.56 3itu h ARG 790 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3itu h ARG 790 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3itu h ARG 790 CO 0.79 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.78 3itu n ASN 791 N -3.61 3.18 -4.30 7.04 3.02 -1.26 -4.83 115.26 114.51 3itu n ASN 791 Ca 0.05 -1.97 -0.37 0.00 -0.03 0.00 0.00 54.58 52.26 3itu n ASN 791 Cb 0.55 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.19 5.19 0.37 6.41 3.84 0.24 -4.96 114.94 124.84 3itu s ASN 792 Ca 0.40 -0.95 0.13 0.00 0.21 0.00 0.00 52.86 52.64 3itu s ASN 792 Cb 0.21 -1.86 0.73 0.00 -0.55 0.00 0.00 41.25 39.78 3itu s ASN 792 CO 0.29 -0.26 1.83 0.11 -2.79 0.00 0.00 177.10 176.28 3itu h LYS 793 N 8.21 0.00 -0.62 0.43 1.57 -1.88 -2.09 116.57 122.20 3itu h LYS 793 Ca -0.27 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 3itu h LYS 793 Cb 1.10 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3itu h LYS 793 CO 0.60 0.37 0.05 0.37 -0.57 0.00 0.00 179.45 180.27 3itu h GLN 794 N 0.00 1.05 -0.93 3.15 4.15 -1.95 -2.00 115.11 118.59 3itu h GLN 794 Ca -0.00 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.15 3itu h GLN 794 Cb 0.65 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 3itu h GLN 794 CO 0.05 1.00 0.61 0.45 -1.93 0.00 0.00 178.83 179.01 3itu h HIS 795 N 0.97 1.13 -0.17 3.99 3.86 -1.71 0.12 115.15 123.34 3itu h HIS 795 Ca 0.18 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3itu h HIS 795 Cb 0.50 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3itu h HIS 795 CO 0.03 0.65 0.09 0.45 0.86 0.00 0.00 177.93 180.01 3itu h HIS 796 N 1.16 0.23 -0.54 2.45 3.86 -0.91 0.39 115.15 121.79 3itu h HIS 796 Ca 0.37 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 3itu h HIS 796 Cb 0.03 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3itu h HIS 796 CO -0.00 0.22 0.25 -0.09 0.86 0.00 0.00 177.93 179.17 3itu h ARG 797 N 0.17 0.79 -0.52 2.45 1.12 -0.60 -1.64 114.38 116.15 3itu h ARG 797 Ca 0.06 -0.13 -0.10 0.00 -1.11 0.00 0.00 59.98 58.70 3itu h ARG 797 Cb 0.07 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 3itu h ARG 797 CO -0.01 0.67 -0.06 -0.07 -3.11 0.00 0.00 179.97 177.38 3itu h LEU 798 N 0.73 0.96 -0.53 3.80 3.38 -0.60 -1.91 115.31 121.15 3itu h LEU 798 Ca 0.18 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3itu h LEU 798 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3itu h LEU 798 CO -0.02 1.07 0.19 0.25 0.09 0.00 0.00 178.44 180.01 3itu h LEU 799 N 0.83 0.75 -0.89 1.67 5.85 -0.70 -0.63 115.31 122.18 3itu h LEU 799 Ca 0.14 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3itu h LEU 799 Cb 0.61 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3itu h LEU 799 CO 0.04 0.74 0.58 -0.07 -0.34 0.00 0.00 178.44 179.39 3itu h LEU 800 N 0.72 0.97 -0.14 2.25 3.38 -0.99 0.14 115.31 121.64 3itu h LEU 800 Ca 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3itu h LEU 800 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3itu h LEU 800 CO -0.01 0.67 0.08 0.00 0.09 0.00 0.00 178.44 179.27 3itu h LEU 802 N 0.15 0.72 -0.84 0.00 5.85 -0.52 -0.48 115.31 120.18 3itu h LEU 802 Ca 0.05 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3itu h LEU 802 Cb 0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3itu h LEU 802 CO -0.01 0.51 0.25 -0.07 -0.34 0.00 0.00 178.44 178.79 3itu h LEU 803 N 0.85 1.03 -0.29 2.25 3.38 -0.58 -0.35 115.31 121.60 3itu h LEU 803 Ca 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3itu h LEU 803 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3itu h LEU 803 CO -0.06 0.94 0.02 -0.03 0.09 0.00 0.00 178.44 179.40 3itu h MET 804 N 1.07 0.49 -0.87 1.13 4.05 -0.72 -0.31 114.93 119.77 3itu h MET 804 Ca 0.24 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3itu h MET 804 Cb 0.26 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 3itu h MET 804 CO -0.01 0.63 0.58 1.15 0.23 0.00 0.00 176.91 179.48 3itu h THR 805 N 0.29 1.21 -0.49 -0.77 2.02 -0.91 -0.12 112.91 114.15 3itu h THR 805 Ca 0.08 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 3itu h THR 805 Cb 0.40 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3itu h THR 805 CO 0.01 0.21 0.10 0.28 0.37 0.00 0.00 175.52 176.50 3itu h SER 806 N 1.17 0.69 -0.08 4.18 0.02 -0.48 -1.42 113.55 117.62 3itu h SER 806 Ca 0.32 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.95 3itu h SER 806 Cb -0.12 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.26 3itu h SER 806 CO -0.07 0.70 -0.72 0.00 -1.14 0.00 0.00 176.83 175.59 3itu h ASP 808 N 0.29 0.08 -0.65 0.00 1.82 -0.24 -2.42 116.42 115.31 3itu h ASP 808 Ca -0.07 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 3itu h ASP 808 Cb 1.38 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.36 3itu h ASP 808 CO 0.15 0.38 0.00 0.18 -1.61 0.00 0.00 179.24 178.34 3itu n LEU 809 N -4.17 3.81 0.05 2.28 4.77 -0.61 -4.66 117.00 118.47 3itu n LEU 809 Ca -0.02 -1.84 0.09 0.00 -0.03 0.00 0.00 56.01 54.21 3itu n LEU 809 Cb 0.36 -0.43 0.38 0.00 -2.33 0.00 0.00 43.42 41.40 3itu n LEU 809 CO 0.39 0.92 0.78 -1.54 -1.33 0.00 0.00 177.39 176.61 3itu n SER 810 N 1.61 0.27 0.31 -1.43 3.41 -0.91 -1.41 113.62 115.48 3itu n SER 810 Ca 0.23 0.57 0.18 0.00 -0.26 0.00 0.00 58.87 59.59 3itu n SER 810 Cb 0.62 -0.63 1.04 0.00 -0.26 0.00 0.00 64.21 64.97 3itu n SER 810 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3itu h ASP 811 N 0.00 0.00 0.38 4.04 3.32 -1.83 -0.90 116.42 121.44 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 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3itu h ASP 811 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3itu n GLN 812 N -3.51 0.47 -0.11 3.56 1.13 -0.50 -3.55 117.38 114.87 3itu n GLN 812 Ca -0.03 0.03 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 3itu n GLN 812 Cb 0.09 -1.50 0.17 0.00 0.11 0.00 0.00 30.24 29.10 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 -1.22 0.31 -0.68 5.09 -2.24 -0.34 -3.85 114.28 111.35 3itu n THR 813 Ca 0.14 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3itu n THR 813 Cb 0.18 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.39 3.64 -2.65 -0.78 4.76 -1.23 -4.78 118.16 118.51 3itu n LYS 814 Ca 0.17 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.39 3itu n LYS 814 Cb 0.59 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.86 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 -0.02 1.78 0.28 0.72 0.00 -1.26 -4.86 107.32 103.96 3itu s GLY 815 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3itu s GLY 815 CO 0.00 -1.18 1.63 -0.25 0.00 0.00 0.00 173.10 173.30 3itu h TRP 816 N -0.25 0.24 -0.73 1.90 2.91 -1.97 -1.57 115.95 116.48 3itu h TRP 816 Ca -0.38 0.05 0.04 0.00 1.13 0.00 0.00 58.89 59.74 3itu h TRP 816 Cb 1.28 0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.92 3itu h TRP 816 CO 0.06 -0.24 0.45 0.87 -1.03 0.00 0.00 178.44 178.55 3itu h LYS 817 N 0.16 0.84 -0.34 2.65 6.56 -1.99 0.80 116.57 125.25 3itu h LYS 817 Ca 0.53 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 60.00 3itu h LYS 817 Cb 1.06 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 3itu h LYS 817 CO -0.69 0.55 -0.08 1.15 -2.06 0.00 0.00 179.45 178.33 3itu h THR 818 N 0.86 1.28 -0.37 -0.16 2.02 -1.67 -1.89 112.91 112.99 3itu h THR 818 Ca 0.30 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.37 3itu h THR 818 Cb 0.06 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3itu h THR 818 CO -0.13 0.37 0.18 0.74 0.37 0.00 0.00 175.52 177.05 3itu h THR 819 N 0.45 0.98 0.07 3.16 2.02 -0.73 0.82 112.91 119.68 3itu h THR 819 Ca 0.09 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3itu h THR 819 Cb 0.58 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3itu h THR 819 CO 0.03 0.07 -0.03 -0.09 0.37 0.00 0.00 175.52 175.87 3itu h ARG 820 N 0.37 -0.09 -0.59 6.66 2.43 -0.82 -1.54 114.38 120.80 3itu h ARG 820 Ca 0.16 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3itu h ARG 820 Cb 0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3itu h ARG 820 CO -0.11 -0.01 0.17 -0.22 -1.51 0.00 0.00 179.97 178.28 3itu h LYS 821 N -0.14 0.93 -0.55 0.20 1.63 -0.94 -2.34 116.57 115.36 3itu h LYS 821 Ca -0.01 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.52 3itu h LYS 821 Cb 0.11 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3itu h LYS 821 CO 0.02 0.84 0.10 0.82 -3.45 0.00 0.00 179.45 177.78 3itu h ILE 822 N 0.84 1.23 -0.72 2.00 1.08 -0.80 -2.21 117.51 118.93 3itu h ILE 822 Ca 0.19 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 63.79 3itu h ILE 822 Cb 0.31 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3itu h ILE 822 CO -0.00 0.32 0.47 0.00 -0.69 0.00 0.00 178.15 178.25 3itu h ALA 823 N 1.29 0.92 -0.61 1.87 0.00 -0.95 0.94 119.26 122.72 3itu h ALA 823 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3itu h ALA 823 Cb 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3itu h ALA 823 CO 0.00 0.29 0.37 0.93 0.00 0.00 0.00 179.25 180.85 3itu h GLU 824 N 0.94 0.72 -0.10 0.00 5.08 -0.95 -0.03 114.58 120.24 3itu h GLU 824 Ca 0.27 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3itu h GLU 824 Cb -0.07 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3itu h GLU 824 CO -0.08 0.47 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.33 3itu h LEU 825 N 0.74 0.18 -0.52 1.33 3.38 -0.72 -1.97 115.31 117.74 3itu h LEU 825 Ca 0.24 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3itu h LEU 825 Cb 0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3itu h LEU 825 CO -0.10 0.48 0.33 0.40 0.09 0.00 0.00 178.44 179.64 3itu h ILE 826 N -0.12 1.09 -0.16 1.22 2.04 -0.69 -1.79 117.51 119.09 3itu h ILE 826 Ca 0.03 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 3itu h ILE 826 Cb 0.40 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3itu h ILE 826 CO 0.01 0.12 -0.55 1.88 0.00 0.00 0.00 178.15 179.61 3itu h TYR 827 N 0.66 0.62 -0.76 1.37 0.05 -1.07 0.11 116.97 117.96 3itu h TYR 827 Ca 0.20 -0.22 0.06 0.00 0.05 0.00 0.00 58.73 58.82 3itu h TYR 827 Cb -0.03 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 3itu h TYR 827 CO -0.05 0.93 0.45 -0.22 -1.05 0.00 0.00 178.16 178.22 3itu h LYS 828 N 0.38 0.80 0.00 4.88 3.64 -1.21 0.13 116.57 125.19 3itu h LYS 828 Ca 0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3itu h LYS 828 Cb 1.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3itu h LYS 828 CO 0.10 0.53 -0.00 1.49 -2.27 0.00 0.00 179.45 179.30 3itu h GLU 829 N 0.82 -0.00 0.03 1.90 4.81 -0.63 -1.98 114.58 119.53 3itu h GLU 829 Ca 0.33 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 3itu h GLU 829 Cb 0.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3itu h GLU 829 CO -0.17 0.24 -0.22 0.74 -0.73 0.00 0.00 179.01 178.87 3itu h PHE 830 N -0.24 -0.57 -0.13 0.92 -1.00 -0.57 -2.13 116.94 113.22 3itu h PHE 830 Ca -0.00 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 3itu h PHE 830 Cb 0.24 0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3itu h PHE 830 CO 0.01 -0.31 -0.12 0.74 -1.61 0.00 0.00 178.31 177.02 3itu h PHE 831 N -0.36 0.20 -0.39 -0.55 0.04 -0.68 -0.39 116.94 114.82 3itu h PHE 831 Ca 0.05 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3itu h PHE 831 Cb 0.42 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3itu h PHE 831 CO -0.25 0.32 0.21 0.77 -0.60 0.00 0.00 178.31 178.76 3itu h SER 832 N 0.19 0.49 -0.04 2.17 0.02 -1.13 0.88 113.55 116.12 3itu h SER 832 Ca 0.04 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3itu h SER 832 Cb 0.33 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3itu h SER 832 CO 0.02 0.44 -0.22 -0.61 -1.14 0.00 0.00 176.83 175.32 3itu h GLN 833 N 0.49 -0.32 -1.00 3.45 4.15 -0.68 -2.19 115.11 119.02 3itu h GLN 833 Ca 0.14 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.66 3itu h GLN 833 Cb 0.07 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.76 3itu h GLN 833 CO -0.02 -0.21 0.64 0.78 -1.93 0.00 0.00 178.83 178.09 3itu h GLY 834 N -0.33 1.56 1.00 2.39 0.00 -0.71 -0.85 103.07 106.14 3itu h GLY 834 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3itu h GLY 834 CO -0.23 0.27 0.45 -0.55 0.00 0.00 0.00 176.54 176.48 3itu h ASP 835 N 1.10 0.82 -0.74 0.19 3.32 -0.58 0.19 116.42 120.73 3itu h ASP 835 Ca 0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3itu h ASP 835 Cb 0.28 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3itu h ASP 835 CO -0.21 0.61 0.46 -0.07 -1.72 0.00 0.00 179.24 178.32 3itu h LEU 836 N 0.95 0.87 -0.31 1.55 3.38 -0.56 -1.36 115.31 119.82 3itu h LEU 836 Ca 0.25 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3itu h LEU 836 Cb -0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3itu h LEU 836 CO -0.05 0.65 0.01 -0.33 0.09 0.00 0.00 178.44 178.81 3itu h GLU 837 N 1.00 0.54 -0.94 1.13 5.08 -0.57 -1.41 114.58 119.41 3itu h GLU 837 Ca 0.27 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3itu h GLU 837 Cb -0.07 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 3itu h GLU 837 CO -0.05 0.67 0.60 0.87 -1.00 0.00 0.00 179.01 180.10 3itu h LYS 838 N 0.34 1.08 0.00 2.33 1.57 -0.37 -1.00 116.57 120.52 3itu h LYS 838 Ca 0.09 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3itu h LYS 838 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3itu h LYS 838 CO 0.01 0.72 -0.24 0.00 -0.57 0.00 0.00 179.45 179.37 3itu h ALA 839 N 1.42 1.09 0.00 3.86 0.00 -0.90 -0.53 119.26 124.20 3itu h ALA 839 Ca 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3itu h ALA 839 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3itu h ALA 839 CO -0.16 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.07 3itu n MET 840 N -3.52 0.62 -0.45 0.00 2.81 -0.46 -4.92 117.12 111.21 3itu n MET 840 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3itu n MET 840 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3itu n MET 840 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3itu n GLY 841 N 0.98 0.77 3.96 3.03 0.00 -0.21 -5.07 105.19 108.65 3itu n GLY 841 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.17 6.32 -0.41 1.61 0.01 -0.71 -5.01 114.94 114.58 3itu s ASN 842 Ca 0.00 0.10 -0.16 0.00 -0.71 0.00 0.00 52.86 52.09 3itu s ASN 842 Cb 0.00 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.80 3itu s ASN 842 CO 0.00 -0.05 0.37 -0.60 -1.51 0.00 0.00 177.10 175.30 3itu s ARG 843 N -3.84 3.06 0.79 -0.60 3.52 -1.26 -3.71 118.95 116.91 3itu s ARG 843 Ca 0.34 -0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 54.95 3itu s ARG 843 Cb -0.09 -3.96 0.08 0.00 -1.56 0.00 0.00 34.95 29.41 3itu s ARG 843 CO 0.29 -0.79 1.17 -1.25 -0.81 0.00 0.00 175.30 173.91 3itu s PRO 844 N 1.91 1.80 0.69 5.12 0.04 -1.26 -4.98 135.00 138.32 3itu s PRO 844 Ca 0.09 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 3itu s PRO 844 Cb -0.18 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3itu s PRO 844 CO 0.12 -2.06 1.21 0.00 0.04 0.00 0.00 177.00 176.31 3itu n MET 845 N -3.32 0.82 -0.26 4.56 0.00 -1.26 -4.76 117.12 112.90 3itu n MET 845 Ca 0.12 0.34 0.07 0.00 0.00 0.00 0.00 57.70 58.23 3itu n MET 845 Cb 0.51 -2.45 0.20 0.00 0.00 0.00 0.00 33.22 31.49 3itu n MET 845 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3itu h GLU 846 N 0.11 0.26 0.00 3.17 4.81 -1.93 0.04 114.58 121.04 3itu h GLU 846 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3itu h GLU 846 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3itu h GLU 846 CO 0.50 0.17 0.00 0.00 -0.73 0.00 0.00 179.01 178.96 3itu n MET 847 N -5.17 0.04 0.00 1.92 0.00 -1.26 -1.42 117.12 111.23 3itu n MET 847 Ca 0.16 0.20 0.09 0.00 0.00 0.00 0.00 57.70 58.14 3itu n MET 847 Cb 0.50 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.27 3itu n MET 847 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3itu n MET 848 N -1.47 1.56 -3.60 3.17 2.81 -0.04 -4.70 117.12 114.86 3itu n MET 848 Ca 0.05 -1.36 -0.40 0.00 -1.81 0.00 0.00 57.70 54.17 3itu n MET 848 Cb 0.19 -1.34 -0.11 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.68 5.70 0.18 7.83 -1.08 -0.51 -3.37 116.67 123.75 3itu s ASP 849 Ca 0.19 -1.15 0.18 0.00 -0.52 0.00 0.00 52.55 51.26 3itu s ASP 849 Cb 0.15 -2.01 0.83 0.00 -1.46 0.00 0.00 42.92 40.43 3itu s ASP 849 CO 0.29 -0.43 1.56 -2.11 0.52 0.00 0.00 175.17 175.01 3itu n ARG 850 N 4.98 0.12 0.01 4.34 1.85 -1.26 -0.90 116.66 125.79 3itu n ARG 850 Ca -0.11 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.30 3itu n ARG 850 Cb 0.45 -1.76 0.37 0.00 -1.05 0.00 0.00 32.46 30.47 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 -1.99 0.04 0.00 2.89 1.02 -1.26 -4.49 120.64 116.85 3itu n GLU 851 Ca 0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3itu n GLU 851 Cb 0.15 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3itu n GLU 851 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3itu n LYS 852 N -1.60 2.53 -2.04 3.49 5.02 -0.61 -5.03 118.16 119.91 3itu n LYS 852 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3itu n LYS 852 Cb 0.35 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 3itu n LYS 852 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itu s ALA 853 N -1.67 3.63 -0.53 7.82 0.00 -0.08 -4.96 121.76 125.97 3itu s ALA 853 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 3itu s ALA 853 Cb 0.00 -3.68 0.13 0.00 0.00 0.00 0.00 23.12 19.57 3itu s ALA 853 CO 0.00 -1.14 0.42 -0.47 0.00 0.00 0.00 175.76 174.56 3itu s TYR 854 N 3.03 3.44 0.20 0.00 5.04 -1.26 -4.98 117.35 122.82 3itu s TYR 854 Ca 0.71 -1.88 -0.12 0.00 -2.44 0.00 0.00 57.07 53.33 3itu s TYR 854 Cb -0.35 -3.55 0.24 0.00 0.35 0.00 0.00 41.96 38.65 3itu s TYR 854 CO 0.29 -0.99 1.68 0.82 -1.34 0.00 0.00 175.55 176.02 3itu h ILE 855 N 5.89 0.56 -0.67 3.14 2.04 -1.99 -1.45 117.51 125.03 3itu h ILE 855 Ca -0.17 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3itu h ILE 855 Cb 1.06 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3itu h ILE 855 CO 0.86 0.02 0.43 -0.65 0.00 0.00 0.00 178.15 178.82 3itu h PRO 856 N 0.13 0.83 -0.29 2.37 0.11 -1.94 0.97 132.00 134.19 3itu h PRO 856 Ca 0.29 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 3itu h PRO 856 Cb 0.45 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3itu h PRO 856 CO -0.46 0.55 -0.54 1.05 -0.21 0.00 0.00 178.00 178.39 3itu h GLU 857 N 0.86 0.86 -0.68 1.05 4.11 -1.76 0.23 114.58 119.25 3itu h GLU 857 Ca 0.26 -0.54 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 3itu h GLU 857 Cb -0.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3itu h GLU 857 CO -0.09 1.17 0.16 -0.07 0.07 0.00 0.00 179.01 180.25 3itu h LEU 858 N 0.66 1.03 -0.19 3.06 3.38 -0.86 0.70 115.31 123.09 3itu h LEU 858 Ca 0.02 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3itu h LEU 858 Cb 1.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3itu h LEU 858 CO 0.12 0.99 -0.29 1.56 0.09 0.00 0.00 178.44 180.92 3itu h GLN 859 N 1.03 0.52 -0.60 1.13 1.08 -0.64 -0.40 115.11 117.24 3itu h GLN 859 Ca 0.21 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3itu h GLN 859 Cb 0.37 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 3itu h GLN 859 CO 0.00 0.91 0.37 0.82 -0.95 0.00 0.00 178.83 179.99 3itu h ILE 860 N 0.18 1.09 -0.45 2.54 2.04 -0.33 0.29 117.51 122.87 3itu h ILE 860 Ca 0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3itu h ILE 860 Cb 0.86 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3itu h ILE 860 CO 0.07 0.14 0.19 -1.28 0.00 0.00 0.00 178.15 177.26 3itu h SER 861 N 0.74 0.61 -0.56 1.72 0.87 -0.58 0.74 113.55 117.09 3itu h SER 861 Ca 0.24 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3itu h SER 861 Cb -0.00 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3itu h SER 861 CO -0.09 0.59 0.23 0.15 -0.53 0.00 0.00 176.83 177.18 3itu h PHE 862 N 0.58 0.84 -0.33 2.24 3.57 -0.72 0.51 116.94 123.63 3itu h PHE 862 Ca 0.15 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3itu h PHE 862 Cb 0.16 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3itu h PHE 862 CO -0.00 0.68 0.09 0.52 -2.23 0.00 0.00 178.31 177.37 3itu h MET 863 N 0.76 0.52 -0.07 1.11 2.86 -0.56 -0.56 114.93 118.99 3itu h MET 863 Ca 0.19 -0.12 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 3itu h MET 863 Cb 0.19 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.79 3itu h MET 863 CO -0.02 0.57 -0.69 1.49 1.06 0.00 0.00 176.91 179.32 3itu h GLU 864 N 0.38 0.59 0.00 1.72 4.81 -0.72 0.37 114.58 121.73 3itu h GLU 864 Ca 0.11 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3itu h GLU 864 Cb 0.27 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3itu h GLU 864 CO -0.00 1.16 -0.93 0.72 -0.73 0.00 0.00 179.01 179.23 3itu n HIS 865 N -4.10 0.00 0.04 0.92 8.25 0.16 -4.28 115.22 116.21 3itu n HIS 865 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3itu n HIS 865 Cb 0.70 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 -1.49 0.90 0.07 1.59 5.41 -0.51 -4.78 119.36 120.57 3itu n ILE 866 Ca 0.03 0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.95 3itu n ILE 866 Cb 0.30 -1.39 -0.09 0.00 -0.71 0.00 0.00 39.64 37.75 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 0.00 -0.21 -0.59 -1.39 0.00 -1.14 -3.16 119.26 112.77 3itu h ALA 867 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3itu h ALA 867 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 3itu h ALA 867 CO 0.00 -0.42 -0.03 0.52 0.00 0.00 0.00 179.25 179.32 3itu h MET 868 N -0.60 0.09 -0.38 0.00 2.86 -0.46 -0.81 114.93 115.63 3itu h MET 868 Ca -0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3itu h MET 868 Cb 0.45 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3itu h MET 868 CO 0.03 0.06 0.21 -1.35 1.06 0.00 0.00 176.91 176.93 3itu h PRO 869 N 0.09 0.51 0.05 -0.22 0.11 -1.74 0.25 132.00 131.04 3itu h PRO 869 Ca 0.30 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3itu h PRO 869 Cb 0.49 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3itu h PRO 869 CO -0.53 0.37 -0.02 0.82 -0.21 0.00 0.00 178.00 178.43 3itu h ILE 870 N 0.52 1.16 0.00 4.15 2.04 -1.28 -1.38 117.51 122.72 3itu h ILE 870 Ca 0.14 -0.67 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 3itu h ILE 870 Cb 0.00 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3itu h ILE 870 CO -0.02 0.17 -0.33 1.88 0.00 0.00 0.00 178.15 179.84 3itu h TYR 871 N -0.36 0.00 -0.22 1.37 0.05 -0.24 -0.43 116.97 117.13 3itu h TYR 871 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3itu h TYR 871 Cb 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3itu h TYR 871 CO 0.03 0.33 -0.04 -0.22 -1.05 0.00 0.00 178.16 177.21 3itu h LYS 872 N 0.00 0.41 -0.55 4.88 3.64 -0.51 0.20 116.57 124.65 3itu h LYS 872 Ca -0.00 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3itu h LYS 872 Cb 0.84 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 3itu h LYS 872 CO 0.04 0.64 0.34 -0.07 -2.27 0.00 0.00 179.45 178.13 3itu h LEU 873 N 0.15 0.56 -0.59 5.20 3.38 -0.87 0.14 115.31 123.28 3itu h LEU 873 Ca 0.06 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3itu h LEU 873 Cb 0.47 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3itu h LEU 873 CO 0.02 0.39 0.36 0.25 0.09 0.00 0.00 178.44 179.55 3itu h LEU 874 N 0.67 0.60 -0.89 1.67 5.85 -0.98 -1.58 115.31 120.65 3itu h LEU 874 Ca 0.22 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3itu h LEU 874 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3itu h LEU 874 CO -0.09 0.42 0.11 -0.61 -0.34 0.00 0.00 178.44 177.93 3itu h GLN 875 N 0.72 0.93 -0.46 1.25 4.15 -0.62 0.41 115.11 121.49 3itu h GLN 875 Ca 0.23 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3itu h GLN 875 Cb 0.00 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 3itu h GLN 875 CO -0.09 0.85 0.26 -0.44 -1.93 0.00 0.00 178.83 177.48 3itu h ASP 876 N 0.88 0.41 0.34 -0.69 3.32 -0.26 -3.08 116.42 117.34 3itu h ASP 876 Ca 0.18 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.98 3itu h ASP 876 Cb 0.37 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3itu h ASP 876 CO 0.01 0.29 -1.11 -0.07 -1.72 0.00 0.00 179.24 176.63 3itu h LEU 877 N 0.52 0.61 -7.32 1.55 3.38 -0.89 -3.42 115.31 109.75 3itu h LEU 877 Ca 0.19 -0.55 -0.61 0.00 0.09 0.00 0.00 57.88 57.00 3itu h LEU 877 Cb 0.05 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 40.21 3itu h LEU 877 CO -0.10 1.38 -0.74 -0.36 0.09 0.00 0.00 178.44 178.70 3itu s PHE 878 N -3.03 2.38 0.39 1.13 0.08 0.14 -5.01 117.98 114.06 3itu s PHE 878 Ca -0.06 -2.18 0.22 0.00 0.12 0.00 0.00 56.93 55.03 3itu s PHE 878 Cb 0.07 -2.11 1.23 0.00 -0.57 0.00 0.00 43.02 41.64 3itu s PHE 878 CO 0.89 -0.90 1.67 -1.00 -0.10 0.00 0.00 175.22 175.79 3itu h PRO 879 N 7.86 0.23 0.00 0.24 0.13 -1.79 -0.49 132.00 138.18 3itu h PRO 879 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3itu h PRO 879 Cb 1.01 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3itu h PRO 879 CO 0.49 0.15 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 3itu n LYS 880 N -4.81 0.14 0.00 0.86 5.02 -1.26 -2.08 118.16 116.03 3itu n LYS 880 Ca 0.32 0.44 0.15 0.00 -2.02 0.00 0.00 58.31 57.20 3itu n LYS 880 Cb 1.14 -1.80 0.72 0.00 -0.02 0.00 0.00 35.03 35.08 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 -1.71 2.63 -0.26 7.82 0.00 -0.19 -4.31 120.51 124.49 3itu n ALA 881 Ca 0.02 -0.33 0.17 0.00 0.00 0.00 0.00 53.44 53.29 3itu n ALA 881 Cb 0.17 -1.33 0.45 0.00 0.00 0.00 0.00 19.45 18.74 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 4.18 2.04 0.00 0.00 0.00 -1.57 -0.69 119.26 123.23 3itu h ALA 882 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3itu h ALA 882 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3itu h ALA 882 CO 0.00 -0.33 -0.24 1.05 0.00 0.00 0.00 179.25 179.73 3itu h GLU 883 N 0.52 0.00 -0.08 0.00 4.11 -1.86 -1.98 114.58 115.29 3itu h GLU 883 Ca 0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.90 3itu h GLU 883 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 3itu h GLU 883 CO -0.21 0.24 0.02 -0.07 0.07 0.00 0.00 179.01 179.06 3itu h LEU 884 N 0.00 0.12 -0.07 3.06 3.38 -1.44 0.02 115.31 120.38 3itu h LEU 884 Ca -0.00 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3itu h LEU 884 Cb 0.54 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3itu h LEU 884 CO 0.03 0.29 -0.04 0.22 0.09 0.00 0.00 178.44 179.04 3itu h TYR 885 N -0.06 -0.08 -0.85 1.13 3.20 -1.51 -1.09 116.97 117.71 3itu h TYR 885 Ca 0.03 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3itu h TYR 885 Cb 0.22 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 3itu h TYR 885 CO -0.00 -0.06 0.51 0.93 -1.64 0.00 0.00 178.16 177.90 3itu h GLU 886 N -0.03 0.87 0.27 1.82 5.08 -1.20 0.36 114.58 121.75 3itu h GLU 886 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3itu h GLU 886 Cb 0.09 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3itu h GLU 886 CO -0.09 0.58 -0.13 0.00 -1.00 0.00 0.00 179.01 178.36 3itu h ARG 887 N 0.90 -0.35 -0.57 2.33 3.08 -0.73 -0.57 114.38 118.46 3itu h ARG 887 Ca 0.39 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.57 3itu h ARG 887 Cb 0.26 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 3itu h ARG 887 CO -0.21 -0.09 0.06 0.28 -1.07 0.00 0.00 179.97 178.95 3itu h VAL 888 N -0.59 0.60 -0.65 2.04 2.07 -0.82 -0.23 116.25 118.67 3itu h VAL 888 Ca -0.04 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3itu h VAL 888 Cb 0.43 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3itu h VAL 888 CO 0.06 0.03 0.40 0.00 0.02 0.00 0.00 177.57 178.09 3itu h ALA 889 N 1.48 1.50 -0.23 1.67 0.00 -0.76 0.37 119.26 123.29 3itu h ALA 889 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3itu h ALA 889 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3itu h ALA 889 CO -0.43 0.45 0.06 0.77 0.00 0.00 0.00 179.25 180.10 3itu h SER 890 N 0.88 0.35 -0.94 0.00 0.02 -0.13 -0.41 113.55 113.32 3itu h SER 890 Ca 0.23 -0.23 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3itu h SER 890 Cb -0.06 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 3itu h SER 890 CO -0.05 0.48 0.60 0.78 -1.14 0.00 0.00 176.83 177.51 3itu h ASN 891 N 0.20 0.97 -0.42 3.07 2.35 -0.82 0.11 115.58 121.04 3itu h ASN 891 Ca 0.07 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3itu h ASN 891 Cb 0.27 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3itu h ASN 891 CO 0.00 0.62 0.24 -0.09 -1.65 0.00 0.00 177.43 176.56 3itu h ARG 892 N 1.11 0.58 -0.57 0.81 2.43 -0.62 -2.45 114.38 115.66 3itu h ARG 892 Ca 0.40 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3itu h ARG 892 Cb 0.14 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3itu h ARG 892 CO -0.16 0.44 0.25 0.93 -1.51 0.00 0.00 179.97 179.92 3itu h GLU 893 N 0.55 0.82 -0.98 0.20 4.39 -0.31 -2.19 114.58 117.05 3itu h GLU 893 Ca 0.15 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3itu h GLU 893 Cb 0.02 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 3itu h GLU 893 CO -0.03 0.65 0.65 0.45 -1.16 0.00 0.00 179.01 179.57 3itu h HIS 894 N 0.81 1.22 -0.88 4.33 3.86 -0.49 -0.95 115.15 123.05 3itu h HIS 894 Ca 0.20 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3itu h HIS 894 Cb 0.12 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 28.14 3itu h HIS 894 CO 0.01 0.74 0.58 -1.49 0.86 0.00 0.00 177.93 178.63 3itu h TRP 895 N 1.29 1.10 -0.02 2.45 4.06 -0.94 -0.78 115.95 123.11 3itu h TRP 895 Ca 0.38 0.03 -0.16 0.00 2.06 0.00 0.00 58.89 61.20 3itu h TRP 895 Cb -0.08 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 27.70 3itu h TRP 895 CO -0.00 0.67 -0.71 1.79 -3.56 0.00 0.00 178.44 176.63 3itu h THR 896 N 1.17 1.47 -0.10 1.49 1.35 -0.98 -2.46 112.91 114.85 3itu h THR 896 Ca 0.33 -2.32 -0.12 0.00 -0.55 0.00 0.00 66.41 63.75 3itu h THR 896 Cb -0.08 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3itu h THR 896 CO -0.08 0.67 -0.46 0.50 -0.25 0.00 0.00 175.52 175.90 3itu h LYS 897 N 0.07 0.23 -0.02 4.72 3.64 -0.24 -3.15 116.57 121.82 3itu h LYS 897 Ca -0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3itu h LYS 897 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3itu h LYS 897 CO 0.10 0.65 -0.13 1.33 -2.27 0.00 0.00 179.45 179.14 3itu n VAL 898 N -3.98 0.00 -0.35 2.00 0.24 -0.39 -4.53 118.33 111.32 3itu n VAL 898 Ca -0.02 -0.42 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 3itu n VAL 898 Cb 0.52 1.35 0.17 0.00 -1.47 0.00 0.00 33.84 34.41 3itu n VAL 898 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3itu h SER 899 N 3.91 0.94 -0.31 -1.34 0.87 -1.39 -1.32 113.55 114.90 3itu h SER 899 Ca 0.00 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 3itu h SER 899 Cb 0.90 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3itu h SER 899 CO 0.00 0.58 0.27 1.12 -0.53 0.00 0.00 176.83 178.27 3itu h HIS 900 N 1.06 0.00 0.00 2.24 2.07 -1.79 -1.11 115.15 117.62 3itu h HIS 900 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3itu h HIS 900 Cb 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 3itu h HIS 900 CO -0.02 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.71 3itu h LYS 901 N 0.00 0.00 -0.02 5.12 1.57 -1.57 -2.73 116.57 118.94 3itu h LYS 901 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3itu h LYS 901 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3itu h LYS 901 CO -0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 3itu n PHE 902 N -2.67 0.02 -3.84 -1.35 3.72 -0.42 -4.64 117.46 108.28 3itu n PHE 902 Ca -0.01 -0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 3itu n PHE 902 Cb 0.13 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.98 4.47 -0.51 4.37 2.01 -1.03 -5.05 115.64 117.91 3itu s THR 903 Ca 0.40 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 3itu s THR 903 Cb 0.21 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.68 3itu s THR 903 CO 0.34 0.37 1.06 -0.63 -0.69 0.00 0.00 174.62 175.06 3itu s ILE 904 N 1.27 4.26 -0.06 1.82 1.01 -1.26 -4.99 121.20 123.25 3itu s ILE 904 Ca 0.05 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.45 3itu s ILE 904 Cb -0.15 -4.58 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 3itu s ILE 904 CO 0.04 -1.07 0.24 -0.13 0.00 0.00 0.00 174.94 174.01 3itu s ARG 905 N 4.31 3.59 3.03 2.79 1.81 -1.26 -4.93 118.95 128.30 3itu s ARG 905 Ca 0.41 0.02 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 3itu s ARG 905 Cb -0.09 -3.17 0.00 0.00 -0.45 0.00 0.00 34.95 31.24 3itu s ARG 905 CO 0.27 0.73 0.00 0.41 -0.68 0.00 0.00 175.30 176.02 3itu n GLY 906 N 1.74 -0.28 3.92 -3.53 0.00 -1.26 -4.73 105.19 101.06 3itu n GLY 906 Ca -0.16 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 4.35 1.00 0.99 1.43 -1.26 -5.10 118.68 120.08 3itu s LEU 907 Ca 0.00 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3itu s LEU 907 Cb 0.00 -2.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 3itu s LEU 907 CO 0.00 0.15 -0.05 -2.65 0.23 0.00 0.00 176.35 174.03 3itu n PRO 908 N 0.14 -0.47 -0.10 1.29 -0.02 -1.26 -4.79 135.00 129.78 3itu n PRO 908 Ca -0.05 -0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.39 3itu n PRO 908 Cb 0.52 -1.59 0.42 0.00 -0.02 0.00 0.00 33.50 32.82 3itu n PRO 908 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3itu h SER 909 N -1.51 0.52 0.00 2.55 4.64 -1.97 0.11 113.55 117.89 3itu h SER 909 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3itu h SER 909 Cb 1.31 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3itu h SER 909 CO 0.32 0.35 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 3itu n ASN 910 N -4.47 0.00 -1.58 4.97 0.23 -1.26 -4.88 115.26 108.27 3itu n ASN 910 Ca 0.08 -1.34 -0.20 0.00 -0.53 0.00 0.00 54.58 52.59 3itu n ASN 910 Cb 0.22 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.84 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 -0.56 -5.39 -4.43 0.53 5.03 0.03 -4.97 115.26 105.50 3itu n ASN 911 Ca 0.02 0.50 -0.30 0.00 0.87 0.00 0.00 54.58 55.67 3itu n ASN 911 Cb 0.01 -4.75 -0.13 0.00 -1.02 0.00 0.00 39.78 33.89 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 -2.73 3.61 -0.23 6.41 0.15 -1.26 -4.92 113.70 114.72 3itu s SER 912 Ca 0.00 -0.56 0.14 0.00 0.70 0.00 0.00 55.95 56.23 3itu s SER 912 Cb 0.00 -0.45 0.81 0.00 -1.71 0.00 0.00 66.02 64.67 3itu s SER 912 CO 0.00 0.22 1.73 0.18 1.20 0.00 0.00 173.24 176.57 3itu n LEU 913 N 1.25 5.64 -0.32 3.45 4.77 -1.26 -4.34 117.00 126.17 3itu n LEU 913 Ca -0.16 -2.93 0.01 0.00 -0.03 0.00 0.00 56.01 52.90 3itu n LEU 913 Cb 0.52 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 41.13 3itu n LEU 913 CO 0.26 0.64 1.27 0.44 -1.33 0.00 0.00 177.39 178.66 3itu h ASP 914 N 3.89 1.00 -0.11 -1.43 5.19 -2.00 -2.49 116.42 120.47 3itu h ASP 914 Ca 0.00 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 3itu h ASP 914 Cb 1.95 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 41.23 3itu h ASP 914 CO 0.47 0.68 0.53 2.19 -3.12 0.00 0.00 179.24 180.00 3itu h PHE 915 N 1.16 0.00 0.00 4.55 -5.15 -2.04 -3.56 116.94 111.89 3itu h PHE 915 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 3itu h PHE 915 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3itu h PHE 915 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59