#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 4.61 0.55 0.38 0.74 -1.26 -5.01 119.66 119.67 3itu s GLN 591 Ca 0.00 1.52 -0.19 0.00 0.05 0.00 0.00 55.36 56.73 3itu s GLN 591 Cb 0.00 -3.39 -0.07 0.00 1.10 0.00 0.00 33.01 30.65 3itu s GLN 591 CO 0.00 0.06 0.83 -2.30 -0.55 0.00 0.00 175.29 173.33 3itu n PRO 592 N 3.21 0.85 0.16 1.67 -0.02 -1.26 -4.50 135.00 135.11 3itu n PRO 592 Ca 0.04 0.32 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 3itu n PRO 592 Cb 0.49 -1.98 0.32 0.00 -0.02 0.00 0.00 33.50 32.30 3itu n PRO 592 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3itu h VAL 593 N 0.62 1.28 -0.51 -1.45 2.07 -1.96 -2.77 116.25 113.53 3itu h VAL 593 Ca -0.47 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 3itu h VAL 593 Cb 1.37 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.79 3itu h VAL 593 CO 0.51 0.39 0.32 0.00 0.02 0.00 0.00 177.57 178.80 3itu h ALA 594 N 1.56 1.60 -0.15 1.67 0.00 -1.91 -0.74 119.26 121.28 3itu h ALA 594 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3itu h ALA 594 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3itu h ALA 594 CO 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 3itu h ALA 595 N 1.65 1.68 0.08 0.00 0.00 -1.86 -3.22 119.26 117.59 3itu h ALA 595 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3itu h ALA 595 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3itu h ALA 595 CO -0.04 0.24 -0.04 0.82 0.00 0.00 0.00 179.25 180.24 3itu h ILE 596 N 0.21 1.18 -1.51 0.00 2.04 -1.19 -3.48 117.51 114.77 3itu h ILE 596 Ca 0.05 -1.11 0.08 0.00 1.00 0.00 0.00 64.86 64.89 3itu h ILE 596 Cb 0.20 1.88 -0.27 0.00 -0.74 0.00 0.00 36.82 37.89 3itu h ILE 596 CO 0.01 0.27 0.54 -0.62 0.00 0.00 0.00 178.15 178.34 3itu s ASP 597 N -5.57 -0.38 0.14 1.72 -1.08 -1.16 -5.01 116.67 105.33 3itu s ASP 597 Ca -0.15 0.69 0.21 0.00 -0.52 0.00 0.00 52.55 52.78 3itu s ASP 597 Cb 0.01 0.68 0.86 0.00 -1.46 0.00 0.00 42.92 43.01 3itu s ASP 597 CO 0.61 -0.15 1.65 -1.54 0.52 0.00 0.00 175.17 176.26 3itu n SER 598 N 1.91 0.39 -0.97 -0.34 3.41 -1.26 -2.06 113.62 114.70 3itu n SER 598 Ca -0.12 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 3itu n SER 598 Cb 0.56 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 64.08 3itu n SER 598 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3itu n ASN 599 N -1.91 3.62 0.10 4.04 5.15 -1.26 -4.71 115.26 120.29 3itu n ASN 599 Ca 0.03 -2.29 0.10 0.00 -0.60 0.00 0.00 54.58 51.82 3itu n ASN 599 Cb 0.24 -0.40 0.58 0.00 -0.53 0.00 0.00 39.78 39.68 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 2.69 0.18 -0.49 1.20 3.57 -1.74 -1.32 116.94 121.02 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 1.05 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3itu h PHE 600 CO 0.43 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.61 3itu n ALA 601 N -2.54 3.28 -2.44 2.41 0.00 -1.26 -4.90 120.51 115.06 3itu n ALA 601 Ca 0.03 -1.88 -0.37 0.00 0.00 0.00 0.00 53.44 51.22 3itu n ALA 601 Cb 0.22 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.16 6.82 0.54 0.00 0.15 -0.50 -4.79 113.70 114.76 3itu s SER 602 Ca 0.48 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.36 3itu s SER 602 Cb 0.35 -2.26 1.24 0.00 -1.71 0.00 0.00 66.02 63.64 3itu s SER 602 CO 0.17 0.22 1.66 -0.26 1.20 0.00 0.00 173.24 176.23 3itu h PHE 603 N 4.13 0.00 0.00 3.44 0.04 -1.93 -2.26 116.94 120.36 3itu h PHE 603 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 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 0.68 0.00 -0.50 1.79 -0.60 0.00 0.00 178.31 179.68 3itu h THR 604 N 0.00 0.00 -3.17 -1.55 1.35 -1.92 -3.46 112.91 104.16 3itu h THR 604 Ca 0.00 -0.50 -0.53 0.00 -0.55 0.00 0.00 66.41 64.83 3itu h THR 604 Cb 0.68 1.17 0.06 0.00 -1.73 0.00 0.00 68.15 68.33 3itu h THR 604 CO 0.00 0.00 0.85 -0.47 -0.25 0.00 0.00 175.52 175.65 3itu s TYR 605 N -3.16 2.94 -0.52 4.73 5.04 -0.85 -4.96 117.35 120.57 3itu s TYR 605 Ca 0.07 0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 3itu s TYR 605 Cb 0.13 -3.95 0.13 0.00 0.35 0.00 0.00 41.96 38.62 3itu s TYR 605 CO 0.70 -3.27 0.46 0.95 -1.34 0.00 0.00 175.55 173.05 3itu s THR 606 N 0.37 5.01 0.47 4.34 -4.23 -1.26 -4.96 115.64 115.38 3itu s THR 606 Ca 0.64 -1.54 0.40 0.00 -1.18 0.00 0.00 61.69 60.02 3itu s THR 606 Cb -0.45 -4.22 0.42 0.00 1.34 0.00 0.00 72.50 69.60 3itu s THR 606 CO 0.41 -0.84 2.23 1.55 -0.54 0.00 0.00 174.62 177.43 3itu h PRO 607 N 8.80 0.00 0.00 3.99 0.13 -1.94 0.16 132.00 143.14 3itu h PRO 607 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 1.00 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 179.31 3itu n ARG 608 N -3.12 0.02 0.02 0.86 1.74 -1.26 -1.47 116.66 113.45 3itu n ARG 608 Ca -0.02 0.31 0.14 0.00 -0.77 0.00 0.00 57.85 57.51 3itu n ARG 608 Cb 0.16 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.68 3itu n ARG 608 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3itu n SER 609 N -1.47 0.12 -4.69 0.55 3.41 0.04 -4.80 113.62 106.78 3itu n SER 609 Ca 0.03 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3itu n SER 609 Cb 0.11 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 3itu n SER 609 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3itu s LEU 610 N -3.23 4.29 0.30 1.04 2.96 -0.54 -4.98 118.68 118.52 3itu s LEU 610 Ca 0.13 1.77 -0.29 0.00 -0.22 0.00 0.00 54.13 55.52 3itu s LEU 610 Cb 0.18 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 43.18 3itu s LEU 610 CO 0.53 -0.52 1.22 -2.65 -1.32 0.00 0.00 176.35 173.62 3itu n PRO 611 N 4.90 1.84 0.07 0.98 -0.02 -1.26 -4.85 135.00 136.66 3itu n PRO 611 Ca 0.10 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 3itu n PRO 611 Cb 0.47 -2.18 0.65 0.00 -0.02 0.00 0.00 33.50 32.43 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 2.69 0.04 0.00 -0.52 4.81 -1.94 -0.24 114.58 119.42 3itu h GLU 612 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3itu h GLU 612 Cb 1.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3itu h GLU 612 CO 0.64 0.03 0.00 -0.44 -0.73 0.00 0.00 179.01 178.51 3itu h ASP 613 N 0.04 0.00 -0.10 1.04 3.32 -2.04 -2.52 116.42 116.17 3itu h ASP 613 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3itu h ASP 613 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3itu h ASP 613 CO -0.01 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.98 3itu n ASP 614 N -2.99 2.90 0.12 6.45 8.00 -0.10 -4.58 116.55 126.34 3itu n ASP 614 Ca -0.00 -1.90 -0.20 0.00 0.71 0.00 0.00 54.79 53.40 3itu n ASP 614 Cb 0.23 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 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 4.17 1.37 -0.62 -3.53 1.35 -1.46 -2.35 112.91 111.84 3itu h THR 615 Ca 0.00 -2.89 0.04 0.00 -0.55 0.00 0.00 66.41 63.01 3itu h THR 615 Cb 0.90 2.97 -0.04 0.00 -1.73 0.00 0.00 68.15 70.24 3itu h THR 615 CO 0.00 0.86 0.36 0.28 -0.25 0.00 0.00 175.52 176.77 3itu h SER 616 N 0.10 0.58 -0.98 5.36 0.02 -1.81 -1.52 113.55 115.30 3itu h SER 616 Ca -0.20 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.87 3itu h SER 616 Cb 2.06 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 64.41 3itu h SER 616 CO 0.23 0.39 0.61 -0.03 -1.14 0.00 0.00 176.83 176.90 3itu h MET 617 N 0.70 0.98 -0.50 3.45 -1.53 -1.86 -1.62 114.93 114.55 3itu h MET 617 Ca 0.26 -0.06 -0.11 0.00 -3.44 0.00 0.00 59.70 56.35 3itu h MET 617 Cb 0.07 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 30.89 3itu h MET 617 CO -0.13 0.65 -0.12 0.00 0.14 0.00 0.00 176.91 177.45 3itu h ALA 618 N 1.51 0.69 -0.18 0.39 0.00 -0.82 0.27 119.26 121.11 3itu h ALA 618 Ca 0.47 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3itu h ALA 618 Cb 0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3itu h ALA 618 CO -0.24 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.38 3itu h ILE 619 N 0.83 0.79 -0.77 0.00 1.08 -0.36 -1.13 117.51 117.94 3itu h ILE 619 Ca 0.13 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.55 3itu h ILE 619 Cb 0.68 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 3itu h ILE 619 CO 0.05 0.00 0.30 -0.07 -0.69 0.00 0.00 178.15 177.74 3itu h LEU 620 N -0.02 1.07 -1.24 1.44 3.38 -0.97 -1.71 115.31 117.27 3itu h LEU 620 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3itu h LEU 620 Cb 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3itu h LEU 620 CO -0.20 0.96 0.48 0.28 0.09 0.00 0.00 178.44 180.05 3itu h SER 621 N 1.12 0.86 -0.12 -0.43 0.02 -0.25 -0.44 113.55 114.32 3itu h SER 621 Ca 0.26 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3itu h SER 621 Cb 0.23 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3itu h SER 621 CO -0.02 0.64 -0.06 0.24 -1.14 0.00 0.00 176.83 176.49 3itu h MET 622 N 1.01 0.26 -0.65 3.45 2.86 -0.53 -0.92 114.93 120.41 3itu h MET 622 Ca 0.27 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3itu h MET 622 Cb -0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3itu h MET 622 CO -0.06 0.61 0.37 -0.07 1.06 0.00 0.00 176.91 178.82 3itu h LEU 623 N -0.10 0.78 -0.21 1.22 3.38 -1.10 -0.43 115.31 118.86 3itu h LEU 623 Ca 0.03 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3itu h LEU 623 Cb 0.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3itu h LEU 623 CO 0.02 0.62 -0.20 -0.61 0.09 0.00 0.00 178.44 178.36 3itu h GLN 624 N 0.90 0.50 -0.92 1.13 4.15 -1.03 -1.67 115.11 118.18 3itu h GLN 624 Ca 0.23 -0.26 0.09 0.00 0.77 0.00 0.00 58.65 59.48 3itu h GLN 624 Cb -0.01 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 3itu h GLN 624 CO -0.04 0.84 0.56 0.22 -1.93 0.00 0.00 178.83 178.48 3itu h ASP 625 N 0.18 0.85 1.11 -0.69 3.58 -0.53 0.34 116.42 121.26 3itu h ASP 625 Ca 0.03 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3itu h ASP 625 Cb 0.75 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3itu h ASP 625 CO 0.05 0.50 0.00 0.23 -2.88 0.00 0.00 179.24 177.14 3itu n MET 626 N -4.64 0.17 -1.07 0.28 2.81 -0.23 -4.92 117.12 109.53 3itu n MET 626 Ca 0.15 0.23 -0.02 0.00 -1.81 0.00 0.00 57.70 56.25 3itu n MET 626 Cb 0.26 -1.74 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 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 -4.07 0.23 7.83 5.15 0.11 -4.90 115.26 117.55 3itu n ASN 627 Ca 0.05 0.06 0.10 0.00 -0.60 0.00 0.00 54.58 54.19 3itu n ASN 627 Cb 0.34 -1.77 0.67 0.00 -0.53 0.00 0.00 39.78 38.49 3itu n ASN 627 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3itu h PHE 628 N 0.00 0.00 0.35 1.20 0.04 -1.74 0.22 116.94 117.01 3itu h PHE 628 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3itu h PHE 628 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3itu h PHE 628 CO 0.23 0.00 -0.17 0.82 -0.60 0.00 0.00 178.31 178.59 3itu h ILE 629 N 0.00 0.66 -0.54 -0.55 2.04 -1.88 -1.63 117.51 115.60 3itu h ILE 629 Ca 0.04 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3itu h ILE 629 Cb 0.15 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3itu h ILE 629 CO -0.00 0.08 0.29 0.78 0.00 0.00 0.00 178.15 179.30 3itu h ASN 630 N -0.71 0.68 -0.52 1.72 2.35 -1.84 -0.46 115.58 116.80 3itu h ASN 630 Ca -0.05 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3itu h ASN 630 Cb 0.49 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 3itu h ASN 630 CO 0.08 0.59 0.15 0.78 -1.65 0.00 0.00 177.43 177.37 3itu h ASN 631 N 0.73 0.81 -0.35 5.81 2.35 -0.55 -3.01 115.58 121.38 3itu h ASN 631 Ca 0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3itu h ASN 631 Cb 0.06 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3itu h ASN 631 CO -0.03 0.79 0.00 -1.22 -1.65 0.00 0.00 177.43 175.32 3itu n TYR 632 N -4.27 0.45 -3.93 1.19 4.02 -0.62 -4.97 117.16 109.03 3itu n TYR 632 Ca 0.04 -0.28 -0.26 0.00 -0.01 0.00 0.00 57.90 57.39 3itu n TYR 632 Cb 0.22 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3itu n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3itu n LYS 633 N 1.18 -3.91 -2.22 -0.72 4.76 -0.29 -4.92 118.16 112.04 3itu n LYS 633 Ca 0.16 0.47 -0.42 0.00 -2.87 0.00 0.00 58.31 55.65 3itu n LYS 633 Cb 0.52 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.82 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 -3.73 3.71 -0.03 -0.18 -1.09 -0.58 -4.97 121.20 114.34 3itu s ILE 634 Ca 0.18 1.09 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 3itu s ILE 634 Cb -0.10 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 37.01 3itu s ILE 634 CO 0.87 -0.00 1.85 -0.62 -1.23 0.00 0.00 174.94 175.81 3itu s ASP 635 N 1.90 6.46 0.16 3.58 2.15 -1.26 -4.89 116.67 124.76 3itu s ASP 635 Ca 0.64 2.41 -0.13 0.00 0.43 0.00 0.00 52.55 55.90 3itu s ASP 635 Cb -0.31 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.82 3itu s ASP 635 CO 0.26 -1.08 1.67 0.00 -0.17 0.00 0.00 175.17 175.86 3itu h PRO 637 N 0.74 0.81 -0.34 0.00 0.11 -1.98 0.10 132.00 131.44 3itu h PRO 637 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3itu h PRO 637 Cb 0.32 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3itu h PRO 637 CO -0.00 0.53 0.22 1.15 -0.21 0.00 0.00 178.00 179.70 3itu h THR 638 N 0.83 1.09 -0.90 -1.15 2.02 -1.72 -0.97 112.91 112.11 3itu h THR 638 Ca 0.28 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 67.41 3itu h THR 638 Cb 0.03 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 3itu h THR 638 CO -0.11 0.09 0.52 0.25 0.37 0.00 0.00 175.52 176.64 3itu h LEU 639 N 0.46 0.71 -0.23 2.58 5.85 -0.72 0.10 115.31 124.06 3itu h LEU 639 Ca 0.12 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3itu h LEU 639 Cb -0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3itu h LEU 639 CO -0.03 0.35 -0.02 0.00 -0.34 0.00 0.00 178.44 178.40 3itu h ALA 640 N 1.53 0.32 -0.64 1.25 0.00 -0.43 0.01 119.26 121.31 3itu h ALA 640 Ca 0.47 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3itu h ALA 640 Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3itu h ALA 640 CO -0.30 0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.22 3itu h ARG 641 N 0.18 0.99 -0.12 0.00 3.08 -0.80 -1.77 114.38 115.94 3itu h ARG 641 Ca 0.06 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3itu h ARG 641 Cb 0.45 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3itu h ARG 641 CO 0.02 0.87 0.05 0.35 -1.07 0.00 0.00 179.97 180.19 3itu h PHE 642 N 0.92 0.18 -0.98 3.04 3.57 -0.60 -1.37 116.94 121.71 3itu h PHE 642 Ca 0.21 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3itu h PHE 642 Cb 0.29 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3itu h PHE 642 CO 0.02 0.28 0.63 0.00 -2.23 0.00 0.00 178.31 177.01 3itu h LEU 644 N 1.19 0.79 -0.32 0.00 3.38 -1.20 -1.81 115.31 117.33 3itu h LEU 644 Ca 0.41 -0.41 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3itu h LEU 644 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3itu h LEU 644 CO -0.15 1.16 -0.44 0.24 0.09 0.00 0.00 178.44 179.34 3itu h MET 645 N 0.55 0.86 -0.04 1.13 2.86 -0.59 -0.95 114.93 118.76 3itu h MET 645 Ca 0.02 -0.50 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3itu h MET 645 Cb 1.09 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3itu h MET 645 CO 0.11 1.14 -0.02 0.28 1.06 0.00 0.00 176.91 179.48 3itu h VAL 646 N 0.65 0.94 -0.29 -2.22 2.07 -1.07 -0.65 116.25 115.67 3itu h VAL 646 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3itu h VAL 646 Cb 1.04 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3itu h VAL 646 CO 0.10 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.11 3itu h LYS 647 N -0.02 -0.01 0.00 1.57 3.64 -1.16 -0.82 116.57 119.77 3itu h LYS 647 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3itu h LYS 647 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3itu h LYS 647 CO -0.05 -0.01 0.00 -0.22 -2.27 0.00 0.00 179.45 176.90 3itu h LYS 648 N -0.01 0.00 -0.01 1.90 3.64 -0.66 -2.87 116.57 118.56 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 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3itu h LYS 648 CO -0.31 0.00 -0.09 0.41 -2.27 0.00 0.00 179.45 177.19 3itu n GLY 649 N -0.63 -0.70 3.82 5.01 0.00 -0.30 -4.75 105.19 107.64 3itu n GLY 649 Ca -0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.30 3.73 0.00 1.61 1.51 -1.09 -1.27 117.35 119.54 3itu s TYR 650 Ca 0.33 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 3itu s TYR 650 Cb 0.20 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 3itu s TYR 650 CO 0.43 0.59 0.00 0.54 -1.11 0.00 0.00 175.55 176.00 3itu n ARG 651 N 1.96 0.24 -2.26 -0.62 1.74 -1.26 -4.83 116.66 111.62 3itu n ARG 651 Ca -0.13 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.77 3itu n ARG 651 Cb 0.52 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.98 3itu n ARG 651 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3itu n ASP 652 N -2.04 4.05 -4.72 0.55 8.00 -1.26 -4.21 116.55 116.92 3itu n ASP 652 Ca 0.00 -3.33 -0.30 0.00 0.71 0.00 0.00 54.79 51.87 3itu n ASP 652 Cb 0.00 -0.39 0.13 0.00 -0.02 0.00 0.00 41.12 40.84 3itu n ASP 652 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3itu s PRO 653 N -3.63 1.46 0.29 -0.24 0.04 -1.26 -4.92 135.00 126.74 3itu s PRO 653 Ca 0.45 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.55 3itu s PRO 653 Cb 0.39 -1.82 0.58 0.00 0.04 0.00 0.00 34.50 33.69 3itu s PRO 653 CO 0.00 -2.16 1.83 -1.35 0.04 0.00 0.00 177.00 175.36 3itu h PRO 654 N -1.50 0.94 0.00 0.56 0.11 -1.96 -3.38 132.00 126.77 3itu h PRO 654 Ca -0.47 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.37 3itu h PRO 654 Cb 1.27 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3itu h PRO 654 CO 0.51 0.62 -1.61 0.98 -0.21 0.00 0.00 178.00 178.30 3itu n TYR 655 N -4.63 0.00 -1.31 0.65 9.36 -1.26 -4.83 117.16 115.14 3itu n TYR 655 Ca 0.19 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 61.03 3itu n TYR 655 Cb 0.38 -0.50 -0.03 0.00 -0.63 0.00 0.00 39.34 38.56 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 -3.77 2.45 -4.26 2.98 8.25 -1.26 -4.37 115.22 115.23 3itu n HIS 656 Ca -0.26 -2.99 -0.11 0.00 -0.26 0.00 0.00 57.72 54.09 3itu n HIS 656 Cb 0.63 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.28 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 3.91 2.43 0.08 0.41 0.23 -1.26 -4.56 115.26 116.51 3itu n ASN 657 Ca 0.73 -1.79 0.01 0.00 -0.53 0.00 0.00 54.58 53.01 3itu n ASN 657 Cb 0.24 0.14 0.35 0.00 -2.08 0.00 0.00 39.78 38.42 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 1.10 0.34 -0.03 -2.53 2.91 -1.88 -1.34 115.95 114.52 3itu h TRP 658 Ca -0.15 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.80 3itu h TRP 658 Cb 0.45 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 3itu h TRP 658 CO 0.00 0.44 -0.15 0.52 -1.03 0.00 0.00 178.44 178.22 3itu h MET 659 N 0.31 0.04 0.04 2.65 2.86 -1.95 0.44 114.93 119.32 3itu h MET 659 Ca 0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3itu h MET 659 Cb 0.40 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3itu h MET 659 CO 0.02 0.19 -0.02 1.25 1.06 0.00 0.00 176.91 179.41 3itu h HIS 660 N 0.04 -0.05 -0.82 -0.22 -0.00 -1.45 -1.25 115.15 111.39 3itu h HIS 660 Ca 0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.44 3itu h HIS 660 Cb 0.29 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.65 3itu h HIS 660 CO 0.00 0.29 0.50 0.00 -0.00 0.00 0.00 177.93 178.73 3itu h ALA 661 N 0.53 1.13 -0.19 5.26 0.00 -1.12 0.25 119.26 125.12 3itu h ALA 661 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3itu h ALA 661 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3itu h ALA 661 CO 0.01 0.22 0.10 0.35 0.00 0.00 0.00 179.25 179.93 3itu h PHE 662 N 0.90 0.27 -0.19 0.00 3.57 -0.10 -1.62 116.94 119.78 3itu h PHE 662 Ca 0.36 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 3itu h PHE 662 Cb 0.19 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3itu h PHE 662 CO -0.04 0.26 -0.35 0.66 -2.23 0.00 0.00 178.31 176.61 3itu h SER 663 N 0.20 0.40 -0.36 0.41 4.64 -0.31 -0.63 113.55 117.89 3itu h SER 663 Ca 0.07 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3itu h SER 663 Cb 0.08 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3itu h SER 663 CO -0.01 0.73 0.24 0.58 -0.87 0.00 0.00 176.83 177.50 3itu h VAL 664 N 0.33 1.09 -0.38 0.95 2.07 -0.86 -2.27 116.25 117.18 3itu h VAL 664 Ca 0.04 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3itu h VAL 664 Cb 0.77 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3itu h VAL 664 CO 0.06 0.09 0.03 0.28 0.02 0.00 0.00 177.57 178.06 3itu h SER 665 N 0.49 0.63 -0.93 0.57 0.02 -0.85 -2.08 113.55 111.41 3itu h SER 665 Ca 0.13 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3itu h SER 665 Cb -0.06 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 3itu h SER 665 CO -0.03 0.76 0.62 -0.74 -1.14 0.00 0.00 176.83 176.30 3itu h HIS 666 N 0.49 1.16 -0.69 3.45 6.17 -1.01 -1.74 115.15 122.98 3itu h HIS 666 Ca 0.11 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.16 3itu h HIS 666 Cb 0.41 -0.39 -0.03 0.00 2.52 0.00 0.00 27.41 29.93 3itu h HIS 666 CO 0.03 0.70 0.17 0.35 0.71 0.00 0.00 177.93 179.89 3itu h PHE 667 N 1.22 1.14 -0.78 5.26 3.57 -0.80 0.10 116.94 126.65 3itu h PHE 667 Ca 0.36 -0.13 0.10 0.00 3.53 0.00 0.00 57.97 61.83 3itu h PHE 667 Cb -0.07 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.27 3itu h PHE 667 CO -0.00 0.93 0.42 0.00 -2.23 0.00 0.00 178.31 177.43 3itu h TYR 669 N 0.70 0.77 -0.90 0.00 3.20 -0.47 -0.03 116.97 120.24 3itu h TYR 669 Ca 0.39 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 3itu h TYR 669 Cb 0.39 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3itu h TYR 669 CO -0.08 0.73 0.55 -0.07 -1.64 0.00 0.00 178.16 177.65 3itu h LEU 670 N 0.59 1.06 -0.26 2.82 3.38 0.67 0.83 115.31 124.40 3itu h LEU 670 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3itu h LEU 670 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3itu h LEU 670 CO 0.01 0.81 0.14 -0.07 0.09 0.00 0.00 178.44 179.42 3itu h LEU 671 N 1.23 0.33 0.01 1.67 3.38 0.62 0.13 115.31 122.68 3itu h LEU 671 Ca 0.32 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.24 3itu h LEU 671 Cb -0.07 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3itu h LEU 671 CO -0.06 0.32 -0.25 0.22 0.09 0.00 0.00 178.44 178.75 3itu h TYR 672 N 0.31 -0.68 -0.26 1.13 3.20 -0.57 -0.98 116.97 119.12 3itu h TYR 672 Ca 0.09 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 3itu h TYR 672 Cb 0.07 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3itu h TYR 672 CO -0.03 -0.34 -0.48 0.87 -1.64 0.00 0.00 178.16 176.53 3itu h LYS 673 N -0.40 0.70 0.00 1.82 1.79 -0.46 -2.39 116.57 117.63 3itu h LYS 673 Ca 0.06 -0.40 -0.26 0.00 -2.18 0.00 0.00 60.65 57.86 3itu h LYS 673 Cb 0.48 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 3itu h LYS 673 CO -0.21 1.02 -1.91 0.09 -1.08 0.00 0.00 179.45 177.36 3itu n ASN 674 N -4.00 0.47 -0.05 0.86 3.02 0.40 -4.39 115.26 111.57 3itu n ASN 674 Ca -0.03 0.22 0.08 0.00 -0.03 0.00 0.00 54.58 54.82 3itu n ASN 674 Cb 0.58 0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.83 0.86 -3.40 3.41 4.77 -0.38 -4.97 117.00 114.46 3itu n LEU 675 Ca -0.20 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.05 3itu n LEU 675 Cb 0.99 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.14 3itu n LEU 675 CO 0.44 0.20 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.08 3itu n GLU 676 N -1.22 -2.05 0.33 3.23 1.02 -0.90 -4.84 120.64 116.21 3itu n GLU 676 Ca 0.03 0.73 0.21 0.00 -0.02 0.00 0.00 57.16 58.11 3itu n GLU 676 Cb 0.26 -5.26 1.11 0.00 -0.02 0.00 0.00 31.44 27.53 3itu n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3itu h LEU 677 N -1.38 0.00 0.00 -4.62 3.38 -1.76 -2.39 115.31 108.54 3itu h LEU 677 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3itu h LEU 677 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3itu h LEU 677 CO 0.46 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.34 3itu n THR 678 N -3.01 1.04 1.13 0.22 -2.24 -1.26 -1.22 114.28 108.95 3itu n THR 678 Ca -0.03 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 3itu n THR 678 Cb 0.15 -1.19 0.34 0.00 -2.10 0.00 0.00 70.33 67.53 3itu n THR 678 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3itu n ASN 679 N -1.31 2.18 0.00 3.42 3.02 -0.90 -4.50 115.26 117.17 3itu n ASN 679 Ca 0.02 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 3itu n ASN 679 Cb 0.04 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.68 0.00 -4.37 3.10 4.01 -0.43 -4.96 117.16 115.18 3itu n TYR 680 Ca 0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.67 3itu n TYR 680 Cb 0.44 0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.38 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 -3.53 2.42 0.60 7.72 1.43 -0.35 -4.82 118.68 122.15 3itu s LEU 681 Ca 0.00 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 3itu s LEU 681 Cb 0.00 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3itu s LEU 681 CO 0.00 0.05 1.20 -1.61 0.23 0.00 0.00 176.35 176.22 3itu s GLU 682 N -2.62 2.92 0.30 1.70 2.02 -1.26 -4.53 118.70 117.23 3itu s GLU 682 Ca 0.17 1.80 0.06 0.00 0.02 0.00 0.00 54.97 57.02 3itu s GLU 682 Cb -0.07 -1.93 0.77 0.00 0.10 0.00 0.00 34.13 33.00 3itu s GLU 682 CO 0.08 -1.24 1.76 -0.44 0.02 0.00 0.00 175.26 175.43 3itu h ASP 683 N 0.78 0.71 1.39 -0.19 3.32 -1.96 -0.41 116.42 120.05 3itu h ASP 683 Ca -0.50 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3itu h ASP 683 Cb 1.29 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3itu h ASP 683 CO 0.55 0.20 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.90 3itu h ILE 684 N 0.68 0.17 0.10 0.35 6.09 -1.99 -0.93 117.51 121.98 3itu h ILE 684 Ca 0.59 -0.94 -0.24 0.00 -1.37 0.00 0.00 64.86 62.90 3itu h ILE 684 Cb 0.99 1.81 0.02 0.00 0.47 0.00 0.00 36.82 40.12 3itu h ILE 684 CO -0.42 0.08 -1.01 -0.33 -3.07 0.00 0.00 178.15 173.40 3itu h GLU 685 N 0.00 0.51 -0.47 2.19 5.08 -1.46 -0.31 114.58 120.11 3itu h GLU 685 Ca -0.00 -0.68 -0.12 0.00 -1.00 0.00 0.00 59.36 57.56 3itu h GLU 685 Cb 0.80 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3itu h GLU 685 CO 0.01 1.29 -0.17 0.82 -1.00 0.00 0.00 179.01 179.96 3itu h ILE 686 N 0.05 1.27 -0.19 3.13 2.04 -0.96 0.15 117.51 123.01 3itu h ILE 686 Ca -0.16 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 3itu h ILE 686 Cb 1.73 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3itu h ILE 686 CO 0.19 0.45 0.05 0.15 0.00 0.00 0.00 178.15 178.99 3itu h PHE 687 N 0.80 0.31 -0.71 1.37 3.57 -1.16 -1.88 116.94 119.25 3itu h PHE 687 Ca 0.12 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.68 3itu h PHE 687 Cb 0.71 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 3itu h PHE 687 CO 0.04 0.42 0.34 0.00 -2.23 0.00 0.00 178.31 176.88 3itu h ALA 688 N 0.86 0.98 -0.53 2.41 0.00 -0.94 -1.19 119.26 120.85 3itu h ALA 688 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3itu h ALA 688 Cb 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3itu h ALA 688 CO 0.00 -0.08 0.29 1.25 0.00 0.00 0.00 179.25 180.71 3itu h LEU 689 N 0.57 0.45 -0.21 0.00 5.85 -0.32 -0.30 115.31 121.35 3itu h LEU 689 Ca 0.36 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3itu h LEU 689 Cb 0.40 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3itu h LEU 689 CO -0.29 0.31 0.05 0.15 -0.34 0.00 0.00 178.44 178.33 3itu h PHE 690 N 0.57 0.35 -0.91 1.25 3.57 -0.86 0.91 116.94 121.83 3itu h PHE 690 Ca 0.22 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3itu h PHE 690 Cb 0.08 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3itu h PHE 690 CO -0.08 0.44 0.50 0.82 -2.23 0.00 0.00 178.31 177.75 3itu h ILE 691 N 0.16 1.26 -0.49 1.41 1.08 -1.22 -1.82 117.51 117.89 3itu h ILE 691 Ca 0.07 -0.65 -0.12 0.00 -0.39 0.00 0.00 64.86 63.77 3itu h ILE 691 Cb 0.26 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3itu h ILE 691 CO -0.00 0.30 -0.15 0.28 -0.69 0.00 0.00 178.15 177.88 3itu h SER 692 N 1.27 0.96 -0.93 1.72 0.02 -0.53 -2.22 113.55 113.84 3itu h SER 692 Ca 0.32 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3itu h SER 692 Cb 0.03 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.24 3itu h SER 692 CO -0.05 1.10 0.59 0.00 -1.14 0.00 0.00 176.83 177.33 3itu h MET 694 N 1.07 1.05 -0.03 0.00 2.07 -0.88 -3.03 114.93 115.18 3itu h MET 694 Ca 0.40 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 3itu h MET 694 Cb 0.17 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 3itu h MET 694 CO -0.17 0.80 -0.02 0.00 1.07 0.00 0.00 176.91 178.59 3itu h HIS 696 N 4.41 0.00 0.00 0.00 2.07 -0.77 -2.66 115.15 118.20 3itu h HIS 696 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3itu h HIS 696 Cb 0.95 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.92 3itu h HIS 696 CO 0.00 0.00 -0.10 -0.25 -3.07 0.00 0.00 177.93 174.51 3itu n ASP 697 N -2.30 2.13 -4.63 3.10 8.00 -1.26 -4.84 116.55 116.76 3itu n ASP 697 Ca 0.03 -3.13 -0.48 0.00 0.71 0.00 0.00 54.79 51.92 3itu n ASP 697 Cb 0.28 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.31 2.36 -1.54 0.64 4.77 -1.00 -1.55 117.00 119.36 3itu n LEU 698 Ca 0.15 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 57.12 3itu n LEU 698 Cb 0.65 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 3itu n LEU 698 CO 0.00 -0.79 -0.18 -0.67 -1.33 0.00 0.00 177.39 174.43 3itu n ASP 699 N 2.46 -4.45 -4.77 -1.43 2.03 -0.40 -4.33 116.55 105.66 3itu n ASP 699 Ca 0.15 0.05 -0.40 0.00 0.52 0.00 0.00 54.79 55.11 3itu n ASP 699 Cb 0.26 -3.53 -0.01 0.00 -0.72 0.00 0.00 41.12 37.12 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 -2.68 2.92 -1.98 -0.67 2.46 -0.60 -4.88 115.29 109.85 3itu s HIS 700 Ca 0.00 1.39 0.19 0.00 0.47 0.00 0.00 55.06 57.11 3itu s HIS 700 Cb 0.00 -3.72 0.40 0.00 -0.13 0.00 0.00 32.58 29.13 3itu s HIS 700 CO 0.00 -2.07 1.33 0.54 -2.47 0.00 0.00 174.74 172.08 3itu n ARG 701 N 0.53 2.39 -1.04 2.88 3.00 -1.26 -4.39 116.66 118.77 3itu n ARG 701 Ca 0.01 -2.18 -0.01 0.00 -0.01 0.00 0.00 57.85 55.66 3itu n ARG 701 Cb 0.42 -1.44 -0.01 0.00 0.00 0.00 0.00 32.46 31.43 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 1.25 0.51 3.36 -0.13 0.00 -1.26 -4.93 105.19 103.99 3itu n GLY 702 Ca 0.17 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.96 1.78 0.18 2.61 -4.23 -1.26 -4.72 115.64 108.04 3itu s THR 703 Ca 0.00 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 58.30 3itu s THR 703 Cb 0.00 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3itu s THR 703 CO 0.00 -0.56 0.25 -0.46 -0.54 0.00 0.00 174.62 173.31 3itu n ASN 704 N -0.41 0.46 -0.09 3.99 0.23 -1.26 -4.91 115.26 113.27 3itu n ASN 704 Ca -0.08 -1.36 -0.14 0.00 -0.53 0.00 0.00 54.58 52.48 3itu n ASN 704 Cb 0.61 -0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 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 -0.08 0.79 0.27 0.53 2.35 -2.00 -2.43 115.58 115.00 3itu h ASN 705 Ca -0.08 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.09 3itu h ASN 705 Cb 0.34 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3itu h ASN 705 CO 0.10 1.12 -0.34 0.77 -1.65 0.00 0.00 177.43 177.43 3itu h SER 706 N 0.47 0.12 -0.43 5.81 4.64 -2.00 -1.82 113.55 120.34 3itu h SER 706 Ca 0.04 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3itu h SER 706 Cb 0.93 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3itu h SER 706 CO 0.08 0.46 0.19 0.15 -0.87 0.00 0.00 176.83 176.84 3itu h PHE 707 N 0.10 0.65 -0.77 4.77 3.57 -1.91 0.31 116.94 123.66 3itu h PHE 707 Ca 0.01 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.59 3itu h PHE 707 Cb 0.66 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 3itu h PHE 707 CO 0.01 0.55 0.38 1.96 -2.23 0.00 0.00 178.31 178.98 3itu h GLN 708 N 0.56 0.59 -0.08 1.11 1.08 -0.84 -1.07 115.11 116.45 3itu h GLN 708 Ca 0.15 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3itu h GLN 708 Cb 0.16 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3itu h GLN 708 CO -0.01 0.39 -0.02 0.28 -0.95 0.00 0.00 178.83 178.51 3itu h VAL 709 N 0.61 1.30 -0.31 -0.54 2.07 -1.01 -1.67 116.25 116.69 3itu h VAL 709 Ca 0.40 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3itu h VAL 709 Cb 0.49 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3itu h VAL 709 CO -0.31 0.27 -0.02 0.00 0.02 0.00 0.00 177.57 177.53 3itu h ALA 710 N 0.66 1.39 -0.00 1.67 0.00 -0.29 -2.67 119.26 120.01 3itu h ALA 710 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3itu h ALA 710 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3itu h ALA 710 CO 0.01 0.43 -0.12 -1.13 0.00 0.00 0.00 179.25 178.43 3itu n SER 711 N -4.28 0.62 -3.55 0.00 3.41 -0.42 -4.92 113.62 104.48 3itu n SER 711 Ca 0.01 -0.71 -0.21 0.00 -0.26 0.00 0.00 58.87 57.70 3itu n SER 711 Cb 0.25 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.25 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 -7.13 -0.94 4.33 5.02 -0.87 -4.96 118.16 112.78 3itu n LYS 712 Ca 0.15 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 56.95 3itu n LYS 712 Cb 0.29 -5.83 0.15 0.00 -0.02 0.00 0.00 35.03 29.62 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 -3.83 3.20 0.35 4.39 1.04 -0.68 -4.83 113.70 113.35 3itu s SER 713 Ca 0.31 1.84 0.07 0.00 0.48 0.00 0.00 55.95 58.64 3itu s SER 713 Cb -0.14 -2.43 0.66 0.00 0.10 0.00 0.00 66.02 64.22 3itu s SER 713 CO 0.74 -2.87 1.88 0.58 0.98 0.00 0.00 173.24 174.55 3itu h VAL 714 N -1.71 1.20 -0.59 5.02 2.07 -1.93 -1.53 116.25 118.78 3itu h VAL 714 Ca -0.47 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 3itu h VAL 714 Cb 1.27 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3itu h VAL 714 CO 0.48 0.27 0.24 -0.07 0.02 0.00 0.00 177.57 178.51 3itu h LEU 715 N 0.36 0.78 -0.28 2.57 3.38 -1.92 0.24 115.31 120.44 3itu h LEU 715 Ca 0.07 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3itu h LEU 715 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3itu h LEU 715 CO 0.02 0.70 -0.06 0.00 0.09 0.00 0.00 178.44 179.19 3itu h ALA 716 N 1.41 0.38 -0.74 1.53 0.00 -1.62 0.80 119.26 121.03 3itu h ALA 716 Ca 0.20 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3itu h ALA 716 Cb 0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3itu h ALA 716 CO -0.02 0.19 0.33 0.00 0.00 0.00 0.00 179.25 179.75 3itu h ALA 717 N 0.78 1.04 -0.24 0.00 0.00 -0.44 0.11 119.26 120.51 3itu h ALA 717 Ca 0.07 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3itu h ALA 717 Cb 0.53 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3itu h ALA 717 CO 0.03 -0.14 -0.59 -0.07 0.00 0.00 0.00 179.25 178.48 3itu h LEU 718 N 0.52 0.86 -0.16 0.00 3.38 -0.62 -3.41 115.31 115.89 3itu h LEU 718 Ca 0.39 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3itu h LEU 718 Cb 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3itu h LEU 718 CO -0.34 1.26 0.00 -1.22 0.09 0.00 0.00 178.44 178.22 3itu n TYR 719 N -3.98 0.00 0.18 1.13 4.01 0.24 -4.79 117.16 113.96 3itu n TYR 719 Ca -0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 3itu n TYR 719 Cb 0.64 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 40.16 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 0.11 1.00 7.72 4.64 -0.94 -0.78 113.55 125.31 3itu h SER 720 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3itu h SER 720 Cb 0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3itu h SER 720 CO 0.00 0.22 0.00 0.77 -0.87 0.00 0.00 176.83 176.95 3itu h SER 721 N 0.12 0.00 0.00 4.97 4.64 -1.87 -2.62 113.55 118.80 3itu h SER 721 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3itu h SER 721 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3itu h SER 721 CO 0.01 0.00 -1.75 -0.62 -0.87 0.00 0.00 176.83 173.61 3itu n GLU 722 N -2.59 0.49 0.00 4.77 -0.58 -0.36 -5.11 120.64 117.27 3itu n GLU 722 Ca 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 3itu n GLU 722 Cb 0.30 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.32 -1.22 3.52 0.62 0.00 -0.84 -4.99 105.19 103.60 3itu n GLY 723 Ca -0.02 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.78 -4.75 0.12 1.61 7.64 -1.26 -4.77 113.62 110.44 3itu n SER 724 Ca 0.00 -0.85 -0.14 0.00 1.01 0.00 0.00 58.87 58.89 3itu n SER 724 Cb 0.00 -4.25 -0.08 0.00 -1.01 0.00 0.00 64.21 58.87 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 -1.60 0.85 -0.37 0.44 2.07 -1.91 -0.29 116.25 115.44 3itu h VAL 725 Ca -0.63 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 3itu h VAL 725 Cb 1.34 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3itu h VAL 725 CO 0.49 0.03 -0.20 0.24 0.02 0.00 0.00 177.57 178.14 3itu h MET 726 N -0.30 0.71 -0.40 1.57 2.86 -1.92 -2.49 114.93 114.95 3itu h MET 726 Ca -0.02 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.26 3itu h MET 726 Cb 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3itu h MET 726 CO 0.04 0.86 -0.12 0.93 1.06 0.00 0.00 176.91 179.67 3itu h GLU 727 N 0.63 0.72 -0.69 1.72 3.07 -1.77 0.47 114.58 118.73 3itu h GLU 727 Ca 0.09 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 3itu h GLU 727 Cb 0.68 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3itu h GLU 727 CO 0.05 0.82 0.38 0.00 -1.40 0.00 0.00 179.01 178.86 3itu h ARG 728 N 0.65 0.95 0.02 2.33 3.08 -0.87 -1.96 114.38 118.58 3itu h ARG 728 Ca 0.11 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3itu h ARG 728 Cb 0.59 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3itu h ARG 728 CO 0.04 0.71 -0.05 1.25 -1.07 0.00 0.00 179.97 180.85 3itu h HIS 729 N 0.94 -0.11 -0.54 3.04 2.76 -0.97 -0.41 115.15 119.85 3itu h HIS 729 Ca 0.24 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 3itu h HIS 729 Cb 0.03 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 3itu h HIS 729 CO -0.01 -0.07 0.25 0.45 -1.30 0.00 0.00 177.93 177.26 3itu h HIS 730 N -0.09 0.46 -0.15 5.26 3.86 -0.70 0.77 115.15 124.56 3itu h HIS 730 Ca 0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3itu h HIS 730 Cb 0.10 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3itu h HIS 730 CO -0.11 0.20 0.06 0.35 0.86 0.00 0.00 177.93 179.29 3itu h PHE 731 N 0.48 0.23 -0.93 2.45 3.57 -1.21 -1.33 116.94 120.20 3itu h PHE 731 Ca 0.25 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.89 3itu h PHE 731 Cb 0.20 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 3itu h PHE 731 CO -0.12 0.30 0.59 0.00 -2.23 0.00 0.00 178.31 176.86 3itu h ALA 732 N 0.90 1.81 -0.64 2.41 0.00 -0.44 -0.55 119.26 122.75 3itu h ALA 732 Ca 0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 732 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3itu h ALA 732 CO -0.00 -0.08 0.09 1.96 0.00 0.00 0.00 179.25 181.22 3itu h GLN 733 N 0.71 1.07 -0.40 0.00 1.08 -0.57 -0.57 115.11 116.42 3itu h GLN 733 Ca 0.48 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3itu h GLN 733 Cb 0.77 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 3itu h GLN 733 CO -0.24 0.99 0.18 0.00 -0.95 0.00 0.00 178.83 178.81 3itu h ALA 734 N 1.03 0.52 -0.68 3.87 0.00 -0.25 -1.53 119.26 122.22 3itu h ALA 734 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3itu h ALA 734 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3itu h ALA 734 CO 0.01 0.10 0.21 0.82 0.00 0.00 0.00 179.25 180.39 3itu h ILE 735 N 0.51 1.26 -0.55 0.00 1.08 -0.96 -0.28 117.51 118.57 3itu h ILE 735 Ca 0.14 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 3itu h ILE 735 Cb 0.15 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3itu h ILE 735 CO -0.01 0.34 0.30 0.00 -0.69 0.00 0.00 178.15 178.08 3itu h ALA 736 N 1.09 1.50 -0.25 1.87 0.00 -0.84 -1.02 119.26 121.60 3itu h ALA 736 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3itu h ALA 736 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3itu h ALA 736 CO -0.01 0.42 -0.05 0.82 0.00 0.00 0.00 179.25 180.44 3itu h ILE 737 N 0.76 1.28 -0.12 0.00 2.04 -0.84 -2.55 117.51 118.08 3itu h ILE 737 Ca 0.19 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3itu h ILE 737 Cb 0.03 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3itu h ILE 737 CO -0.03 0.32 -0.15 -0.07 0.00 0.00 0.00 178.15 178.22 3itu h LEU 738 N 0.23 0.17 -1.50 1.44 3.38 -0.63 -1.38 115.31 117.03 3itu h LEU 738 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3itu h LEU 738 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3itu h LEU 738 CO 0.02 0.35 0.00 0.59 0.09 0.00 0.00 178.44 179.49 3itu n ASN 739 N -4.27 2.18 -4.76 -0.43 3.02 -0.42 -3.26 115.26 107.32 3itu n ASN 739 Ca -0.01 -2.04 -0.40 0.00 -0.03 0.00 0.00 54.58 52.10 3itu n ASN 739 Cb 0.27 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.52 4.56 0.21 3.41 2.01 -0.52 -5.01 115.64 118.78 3itu s THR 740 Ca 0.26 1.70 -0.32 0.00 0.31 0.00 0.00 61.69 63.64 3itu s THR 740 Cb 0.14 -4.14 -0.14 0.00 0.01 0.00 0.00 72.50 68.37 3itu s THR 740 CO 0.17 0.42 1.38 1.57 -0.69 0.00 0.00 174.62 177.47 3itu n HIS 741 N 2.32 1.99 -0.89 4.92 -0.00 -1.26 -1.34 115.22 120.96 3itu n HIS 741 Ca -0.03 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.62 3itu n HIS 741 Cb 0.49 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 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 2.29 0.84 0.11 1.57 0.00 -1.26 -4.89 105.19 103.85 3itu n GLY 742 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.28 6.70 0.05 0.00 3.84 -1.20 -4.57 114.94 119.48 3itu s ASN 744 Ca 0.03 -2.21 0.11 0.00 0.21 0.00 0.00 52.86 51.00 3itu s ASN 744 Cb 0.02 -2.40 0.48 0.00 -0.55 0.00 0.00 41.25 38.80 3itu s ASN 744 CO 0.03 -1.01 1.34 2.30 -2.79 0.00 0.00 177.10 176.97 3itu n ILE 745 N 5.35 1.35 0.14 -5.21 -5.35 -1.26 -2.10 119.36 112.28 3itu n ILE 745 Ca 0.26 0.38 0.08 0.00 -0.27 0.00 0.00 62.75 63.20 3itu n ILE 745 Cb 0.48 -1.26 0.15 0.00 -1.74 0.00 0.00 39.64 37.27 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 -1.64 0.37 0.39 4.28 3.72 -1.26 -4.72 117.46 118.60 3itu n PHE 746 Ca 0.02 -0.28 0.13 0.00 -0.05 0.00 0.00 57.45 57.26 3itu n PHE 746 Cb 0.10 -0.01 0.51 0.00 -0.94 0.00 0.00 39.48 39.15 3itu n PHE 746 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3itu h ASP 747 N 2.93 0.00 -0.02 4.37 3.04 -1.83 -1.36 116.42 123.55 3itu h ASP 747 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3itu h ASP 747 Cb 0.75 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.04 3itu h ASP 747 CO 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 179.24 176.97 3itu n HIS 748 N -2.34 0.00 -1.07 4.15 1.44 -1.26 -5.00 115.22 111.15 3itu n HIS 748 Ca 0.02 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.39 3itu n HIS 748 Cb 0.24 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.48 3itu n HIS 748 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3itu n PHE 749 N 0.58 0.75 -1.36 -1.40 3.01 -0.51 -4.99 117.46 113.54 3itu n PHE 749 Ca 0.11 0.38 -0.34 0.00 1.01 0.00 0.00 57.45 58.61 3itu n PHE 749 Cb 0.49 -2.05 0.10 0.00 -0.01 0.00 0.00 39.48 38.01 3itu n PHE 749 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3itu s SER 750 N -2.06 4.12 0.25 4.37 1.04 -1.26 -4.70 113.70 115.45 3itu s SER 750 Ca 0.71 2.28 -0.03 0.00 0.48 0.00 0.00 55.95 59.39 3itu s SER 750 Cb -0.29 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.65 3itu s SER 750 CO 0.54 -2.31 1.84 0.03 0.98 0.00 0.00 173.24 174.32 3itu h ARG 751 N -0.51 0.93 -0.48 4.02 3.08 -1.98 0.18 114.38 119.63 3itu h ARG 751 Ca -0.47 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 3itu h ARG 751 Cb 1.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3itu h ARG 751 CO 0.49 0.62 0.14 0.87 -1.07 0.00 0.00 179.97 181.02 3itu h LYS 752 N 0.96 0.74 -0.16 0.04 1.57 -1.99 -0.78 116.57 116.96 3itu h LYS 752 Ca 0.41 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 58.81 3itu h LYS 752 Cb 0.28 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3itu h LYS 752 CO -0.21 0.71 -0.77 -0.44 -0.57 0.00 0.00 179.45 178.17 3itu h ASP 753 N 0.64 0.95 -0.74 0.86 3.32 -1.77 -0.75 116.42 118.93 3itu h ASP 753 Ca 0.15 -0.62 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 3itu h ASP 753 Cb 0.28 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3itu h ASP 753 CO -0.00 1.42 0.43 0.22 -1.72 0.00 0.00 179.24 179.58 3itu h TYR 754 N 0.55 0.99 -0.32 4.55 3.20 -0.54 -1.10 116.97 124.30 3itu h TYR 754 Ca -0.05 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.65 3itu h TYR 754 Cb 1.40 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 3itu h TYR 754 CO 0.09 0.68 -0.44 0.37 -1.64 0.00 0.00 178.16 177.22 3itu h GLN 755 N 1.01 0.83 -0.80 1.82 5.75 -1.05 -1.59 115.11 121.08 3itu h GLN 755 Ca 0.26 -0.46 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3itu h GLN 755 Cb -0.00 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 3itu h GLN 755 CO -0.05 1.09 0.41 -0.09 -2.65 0.00 0.00 178.83 177.55 3itu h ARG 756 N 0.66 1.14 -0.31 1.69 9.65 -0.97 -0.73 114.38 125.51 3itu h ARG 756 Ca 0.04 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3itu h ARG 756 Cb 1.01 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 3itu h ARG 756 CO 0.10 0.86 0.13 0.52 2.80 0.00 0.00 179.97 184.37 3itu h MET 757 N 1.12 0.46 -0.33 0.20 2.86 -0.66 -0.55 114.93 118.03 3itu h MET 757 Ca 0.28 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3itu h MET 757 Cb 0.07 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3itu h MET 757 CO -0.04 0.47 0.21 -0.07 1.06 0.00 0.00 176.91 178.54 3itu h LEU 758 N 0.36 0.38 -0.79 1.22 3.38 -0.99 0.19 115.31 119.05 3itu h LEU 758 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3itu h LEU 758 Cb 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3itu h LEU 758 CO -0.01 0.29 0.19 0.44 0.09 0.00 0.00 178.44 179.45 3itu h ASP 759 N 0.44 1.04 0.03 -0.43 3.32 -0.96 -0.06 116.42 119.80 3itu h ASP 759 Ca 0.12 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3itu h ASP 759 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 3itu h ASP 759 CO -0.02 0.98 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.39 3itu h LEU 760 N 1.05 -0.03 -1.08 1.55 3.38 -0.86 -1.82 115.31 117.50 3itu h LEU 760 Ca 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3itu h LEU 760 Cb 0.33 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3itu h LEU 760 CO -0.00 0.14 0.48 0.24 0.09 0.00 0.00 178.44 179.39 3itu h MET 761 N -0.20 1.12 0.01 1.13 2.86 -0.36 0.11 114.93 119.59 3itu h MET 761 Ca -0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3itu h MET 761 Cb 0.19 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3itu h MET 761 CO 0.01 0.79 -0.00 -0.09 1.06 0.00 0.00 176.91 178.67 3itu h ARG 762 N 1.13 -0.01 -0.93 1.72 2.43 -0.85 0.12 114.38 118.00 3itu h ARG 762 Ca 0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3itu h ARG 762 Cb -0.03 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3itu h ARG 762 CO -0.05 0.12 0.53 -0.44 -1.51 0.00 0.00 179.97 178.61 3itu h ASP 763 N -0.13 1.13 -0.10 -3.80 3.32 -1.01 -0.46 116.42 115.37 3itu h ASP 763 Ca -0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3itu h ASP 763 Cb 0.13 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3itu h ASP 763 CO 0.00 0.89 -0.22 0.40 -1.72 0.00 0.00 179.24 178.59 3itu h ILE 764 N 1.29 1.39 -0.60 0.35 2.04 -0.86 -0.29 117.51 120.83 3itu h ILE 764 Ca 0.33 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 3itu h ILE 764 Cb -0.01 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3itu h ILE 764 CO -0.06 0.44 0.05 0.40 0.00 0.00 0.00 178.15 178.98 3itu h ILE 765 N -0.10 1.26 -0.10 -0.67 2.04 -0.85 -2.29 117.51 116.80 3itu h ILE 765 Ca 0.00 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 3itu h ILE 765 Cb 0.82 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3itu h ILE 765 CO 0.05 0.39 -0.26 -0.07 0.00 0.00 0.00 178.15 178.26 3itu h LEU 766 N 0.93 0.18 -1.56 1.44 3.38 -0.97 -1.07 115.31 117.63 3itu h LEU 766 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3itu h LEU 766 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3itu h LEU 766 CO 0.02 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3itu h ALA 767 N 1.57 1.00 0.00 1.53 0.00 -0.45 -2.46 119.26 120.45 3itu h ALA 767 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3itu h ALA 767 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3itu h ALA 767 CO 0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.54 3itu n THR 768 N -2.37 0.08 -2.46 0.00 -2.24 -0.40 -4.41 114.28 102.47 3itu n THR 768 Ca -0.01 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3itu n THR 768 Cb 0.06 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.49 7.00 0.57 3.42 -1.08 -0.93 -4.86 116.67 118.29 3itu s ASP 769 Ca 0.29 1.70 0.26 0.00 -0.52 0.00 0.00 52.55 54.27 3itu s ASP 769 Cb 0.19 -2.54 1.65 0.00 -1.46 0.00 0.00 42.92 40.75 3itu s ASP 769 CO 0.41 -0.69 2.20 -0.07 0.52 0.00 0.00 175.17 177.54 3itu h LEU 770 N 9.21 0.00 -1.25 -1.34 3.38 -1.91 -0.02 115.31 123.38 3itu h LEU 770 Ca -0.28 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3itu h LEU 770 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3itu h LEU 770 CO 0.94 0.00 0.55 0.00 0.09 0.00 0.00 178.44 180.02 3itu h ALA 771 N 1.97 1.65 -0.07 1.53 0.00 -1.94 -0.32 119.26 122.07 3itu h ALA 771 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3itu h ALA 771 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3itu h ALA 771 CO -0.00 0.19 -0.02 1.25 0.00 0.00 0.00 179.25 180.67 3itu h HIS 772 N 0.86 0.16 -0.28 0.00 -0.00 -1.33 -1.69 115.15 112.88 3itu h HIS 772 Ca 0.39 -0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.78 3itu h HIS 772 Cb 0.36 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 3itu h HIS 772 CO -0.00 0.48 -0.12 1.25 -0.00 0.00 0.00 177.93 179.54 3itu h HIS 773 N -0.20 -0.29 -0.20 5.26 6.17 -1.07 -1.08 115.15 123.74 3itu h HIS 773 Ca 0.02 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 3itu h HIS 773 Cb 0.43 0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.52 3itu h HIS 773 CO 0.06 -0.19 0.02 -0.07 0.71 0.00 0.00 177.93 178.46 3itu h LEU 774 N -0.08 0.26 -0.68 0.26 3.38 -1.00 -1.16 115.31 116.29 3itu h LEU 774 Ca 0.14 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3itu h LEU 774 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3itu h LEU 774 CO -0.33 0.29 -0.26 0.03 0.09 0.00 0.00 178.44 178.26 3itu h ARG 775 N 0.28 0.74 -0.01 1.13 3.08 -0.60 -3.25 114.38 115.74 3itu h ARG 775 Ca 0.07 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3itu h ARG 775 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3itu h ARG 775 CO 0.00 0.92 -0.11 0.44 -1.07 0.00 0.00 179.97 180.15 3itu n ILE 776 N -4.10 0.00 -0.32 2.04 -5.35 -0.48 -4.52 119.36 106.64 3itu n ILE 776 Ca -0.00 -0.25 0.01 0.00 -0.27 0.00 0.00 62.75 62.24 3itu n ILE 776 Cb 0.45 0.65 0.18 0.00 -1.74 0.00 0.00 39.64 39.18 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 2.32 1.13 -0.77 4.28 3.57 -1.27 -1.56 116.94 124.63 3itu h PHE 777 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3itu h PHE 777 Cb 0.58 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3itu h PHE 777 CO 0.00 0.66 0.40 0.87 -2.23 0.00 0.00 178.31 178.01 3itu h LYS 778 N 1.17 1.09 -0.41 1.11 1.79 -1.84 -0.52 116.57 118.97 3itu h LYS 778 Ca 0.36 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 3itu h LYS 778 Cb -0.01 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 3itu h LYS 778 CO -0.10 0.83 0.27 -0.44 -1.08 0.00 0.00 179.45 178.93 3itu h ASP 779 N 1.08 0.44 -0.24 0.86 3.32 -1.64 -1.51 116.42 118.72 3itu h ASP 779 Ca 0.27 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3itu h ASP 779 Cb 0.07 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3itu h ASP 779 CO -0.04 0.31 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.50 3itu h LEU 780 N 0.51 0.61 -0.76 1.55 3.38 -0.63 -2.09 115.31 117.88 3itu h LEU 780 Ca 0.16 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3itu h LEU 780 Cb 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3itu h LEU 780 CO -0.04 0.95 0.41 1.56 0.09 0.00 0.00 178.44 181.41 3itu h GLN 781 N 0.28 1.07 -0.65 1.13 4.20 -0.93 -2.07 115.11 118.14 3itu h GLN 781 Ca 0.04 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3itu h GLN 781 Cb 0.77 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3itu h GLN 781 CO 0.06 0.80 0.32 -0.22 -0.67 0.00 0.00 178.83 179.11 3itu h LYS 782 N 1.06 0.92 -0.65 1.46 3.64 -1.23 -0.52 116.57 121.25 3itu h LYS 782 Ca 0.27 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3itu h LYS 782 Cb 0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3itu h LYS 782 CO -0.04 0.73 0.08 1.98 -2.27 0.00 0.00 179.45 179.93 3itu h MET 783 N 0.89 1.09 -0.31 1.90 4.05 -0.98 0.28 114.93 121.84 3itu h MET 783 Ca 0.22 -0.31 -0.12 0.00 -0.28 0.00 0.00 59.70 59.22 3itu h MET 783 Cb 0.10 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 3itu h MET 783 CO -0.03 1.02 -0.29 0.00 0.23 0.00 0.00 176.91 177.84 3itu h ALA 784 N 1.03 0.90 0.14 0.39 0.00 -0.81 -0.07 119.26 120.84 3itu h ALA 784 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3itu h ALA 784 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3itu h ALA 784 CO 0.02 0.62 -0.07 1.49 0.00 0.00 0.00 179.25 181.31 3itu h GLU 785 N 0.56 -0.18 -0.27 0.00 4.57 -0.41 -3.25 114.58 115.60 3itu h GLU 785 Ca 0.07 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 3itu h GLU 785 Cb 0.78 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 3itu h GLU 785 CO 0.06 0.11 -0.16 -0.24 -1.18 0.00 0.00 179.01 177.60 3itu h VAL 786 N -0.47 1.24 0.00 0.32 3.04 -0.92 -3.49 116.25 115.97 3itu h VAL 786 Ca -0.02 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 3itu h VAL 786 Cb 0.37 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3itu h VAL 786 CO 0.03 0.35 0.00 0.61 -1.01 0.00 0.00 177.57 177.55 3itu n GLY 787 N -0.56 2.51 3.76 3.17 0.00 -0.05 -5.01 105.19 109.02 3itu n GLY 787 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.02 2.75 -0.42 1.61 5.04 -1.24 -4.88 117.35 119.18 3itu s TYR 788 Ca 0.00 0.95 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 3itu s TYR 788 Cb 0.00 -4.01 0.11 0.00 0.35 0.00 0.00 41.96 38.42 3itu s TYR 788 CO 0.00 -3.23 0.17 0.34 -1.34 0.00 0.00 175.55 171.48 3itu s ASP 789 N 0.25 4.81 0.35 4.32 -1.08 -1.26 -4.98 116.67 119.08 3itu s ASP 789 Ca 0.59 -2.39 0.22 0.00 -0.52 0.00 0.00 52.55 50.45 3itu s ASP 789 Cb -0.46 -1.70 1.20 0.00 -1.46 0.00 0.00 42.92 40.50 3itu s ASP 789 CO 0.52 -0.38 1.66 -0.09 0.52 0.00 0.00 175.17 177.40 3itu h ARG 790 N 7.39 0.00 0.00 4.34 2.43 -1.93 0.19 114.38 126.80 3itu h ARG 790 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3itu h ARG 790 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3itu h ARG 790 CO 0.61 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.16 3itu n ASN 791 N -2.29 0.51 -4.44 -3.80 3.02 -1.26 -4.75 115.26 102.25 3itu n ASN 791 Ca -0.01 0.57 -0.44 0.00 -0.03 0.00 0.00 54.58 54.66 3itu n ASN 791 Cb 0.09 -0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.96 6.18 0.47 6.41 3.84 0.66 -4.95 114.94 123.59 3itu s ASN 792 Ca 0.10 -0.99 0.18 0.00 0.21 0.00 0.00 52.86 52.36 3itu s ASN 792 Cb 0.13 -2.22 1.14 0.00 -0.55 0.00 0.00 41.25 39.75 3itu s ASN 792 CO 0.51 -0.68 2.01 0.11 -2.79 0.00 0.00 177.10 176.27 3itu h LYS 793 N 8.80 0.00 0.00 0.43 1.57 -1.85 -0.67 116.57 124.86 3itu h LYS 793 Ca -0.27 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 3itu h LYS 793 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3itu h LYS 793 CO 0.87 0.17 -0.58 0.37 -0.57 0.00 0.00 179.45 179.71 3itu h GLN 794 N 0.00 0.00 -0.34 3.15 5.75 -1.94 -1.93 115.11 119.79 3itu h GLN 794 Ca -0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3itu h GLN 794 Cb 0.33 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3itu h GLN 794 CO 0.02 0.58 -0.14 0.45 -2.65 0.00 0.00 178.83 177.08 3itu h HIS 795 N 0.00 0.66 -0.15 3.99 3.86 -1.43 -1.67 115.15 120.41 3itu h HIS 795 Ca -0.01 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3itu h HIS 795 Cb 1.04 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 3itu h HIS 795 CO 0.00 0.72 0.08 0.45 0.86 0.00 0.00 177.93 180.04 3itu h HIS 796 N 0.55 0.15 -0.49 2.45 3.86 -1.12 -0.59 115.15 119.96 3itu h HIS 796 Ca 0.09 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3itu h HIS 796 Cb 0.57 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 3itu h HIS 796 CO 0.02 0.09 0.28 0.00 0.86 0.00 0.00 177.93 179.18 3itu h ARG 797 N 0.17 0.68 -0.48 2.45 3.08 -1.23 -0.82 114.38 118.24 3itu h ARG 797 Ca 0.06 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3itu h ARG 797 Cb -0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3itu h ARG 797 CO -0.03 0.52 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.20 3itu h LEU 798 N 0.65 0.88 -0.39 3.04 3.38 -1.12 -2.31 115.31 119.44 3itu h LEU 798 Ca 0.17 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 3itu h LEU 798 Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3itu h LEU 798 CO -0.03 1.01 -0.52 0.25 0.09 0.00 0.00 178.44 179.24 3itu h LEU 799 N 0.79 0.87 -0.79 1.67 5.85 -0.80 0.02 115.31 122.91 3itu h LEU 799 Ca 0.13 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3itu h LEU 799 Cb 0.64 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3itu h LEU 799 CO 0.04 1.22 0.34 -0.07 -0.34 0.00 0.00 178.44 179.64 3itu h LEU 800 N 0.61 1.07 -0.06 2.25 3.38 -0.89 0.06 115.31 121.73 3itu h LEU 800 Ca 0.02 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3itu h LEU 800 Cb 1.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3itu h LEU 800 CO 0.11 0.93 -0.02 0.00 0.09 0.00 0.00 178.44 179.56 3itu h LEU 802 N -0.00 -0.09 -0.71 0.00 5.85 -0.65 -1.48 115.31 118.22 3itu h LEU 802 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3itu h LEU 802 Cb 0.05 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3itu h LEU 802 CO -0.06 -0.04 0.45 -0.07 -0.34 0.00 0.00 178.44 178.38 3itu h LEU 803 N -0.01 0.75 -0.26 2.25 3.38 -0.96 -0.03 115.31 120.43 3itu h LEU 803 Ca 0.04 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3itu h LEU 803 Cb 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3itu h LEU 803 CO -0.09 0.52 0.03 -0.03 0.09 0.00 0.00 178.44 178.96 3itu h MET 804 N 0.89 0.11 -0.78 1.13 4.05 -0.88 0.03 114.93 119.48 3itu h MET 804 Ca 0.28 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.65 3itu h MET 804 Cb -0.00 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 3itu h MET 804 CO -0.10 0.07 0.32 1.15 0.23 0.00 0.00 176.91 178.58 3itu h THR 805 N 0.11 1.26 -0.59 -0.77 2.02 -1.05 0.13 112.91 114.02 3itu h THR 805 Ca 0.12 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3itu h THR 805 Cb 0.14 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3itu h THR 805 CO -0.18 0.33 0.29 0.77 0.37 0.00 0.00 175.52 177.11 3itu h SER 806 N 1.13 0.74 -0.26 4.18 4.64 -0.46 -1.37 113.55 122.15 3itu h SER 806 Ca 0.26 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3itu h SER 806 Cb 0.21 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3itu h SER 806 CO -0.02 0.62 -0.08 0.00 -0.87 0.00 0.00 176.83 176.48 3itu h ASP 808 N 0.26 0.00 -0.62 0.00 1.82 0.02 -2.51 116.42 115.38 3itu h ASP 808 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3itu h ASP 808 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.57 3itu h ASP 808 CO 0.03 0.13 0.00 0.18 -1.61 0.00 0.00 179.24 177.97 3itu n LEU 809 N -4.15 3.74 0.17 2.28 4.77 -0.59 -4.67 117.00 118.55 3itu n LEU 809 Ca -0.02 -1.90 0.13 0.00 -0.03 0.00 0.00 56.01 54.19 3itu n LEU 809 Cb 0.21 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.37 3itu n LEU 809 CO 0.34 0.91 0.89 0.77 -1.33 0.00 0.00 177.39 178.97 3itu h SER 810 N 4.05 0.00 -0.02 -1.43 4.64 -1.24 -1.45 113.55 118.10 3itu h SER 810 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3itu h SER 810 Cb 0.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3itu h SER 810 CO 0.00 0.00 0.22 0.44 -0.87 0.00 0.00 176.83 176.62 3itu h ASP 811 N 0.00 0.00 0.29 4.97 3.32 -1.83 -0.66 116.42 122.52 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 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3itu h ASP 811 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3itu n GLN 812 N -3.03 0.71 -0.26 3.56 1.13 -0.55 -3.88 117.38 115.06 3itu n GLN 812 Ca -0.02 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.15 3itu n GLN 812 Cb 0.28 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.37 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 -1.15 0.77 -0.70 5.09 -2.24 -0.25 -3.88 114.28 111.92 3itu n THR 813 Ca 0.19 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3itu n THR 813 Cb 0.18 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.37 3.70 -1.51 -0.78 4.76 -1.25 -4.79 118.16 119.66 3itu n LYS 814 Ca 0.20 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 3itu n LYS 814 Cb 0.57 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.81 3itu n LYS 814 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3itu n GLY 815 N 5.00 0.99 0.31 0.72 0.00 -1.26 -4.83 105.19 106.12 3itu n GLY 815 Ca 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.98 3itu n GLY 815 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3itu h TRP 816 N -0.36 0.80 -0.83 1.61 2.91 -1.97 -2.17 115.95 115.95 3itu h TRP 816 Ca -0.13 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.83 3itu h TRP 816 Cb 0.51 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.87 3itu h TRP 816 CO 0.00 0.63 0.46 -0.22 -1.03 0.00 0.00 178.44 178.28 3itu h LYS 817 N 0.79 1.16 -0.19 2.65 3.64 -1.99 0.16 116.57 122.79 3itu h LYS 817 Ca 0.19 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3itu h LYS 817 Cb 0.16 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3itu h LYS 817 CO -0.02 0.85 -0.19 1.15 -2.27 0.00 0.00 179.45 178.97 3itu h THR 818 N 1.16 1.33 -0.42 1.00 2.02 -1.82 -0.69 112.91 115.49 3itu h THR 818 Ca 0.29 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 3itu h THR 818 Cb 0.02 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3itu h THR 818 CO -0.05 0.41 -0.04 0.74 0.37 0.00 0.00 175.52 176.95 3itu h THR 819 N 0.13 1.24 -0.28 3.16 2.02 -0.97 -1.41 112.91 116.80 3itu h THR 819 Ca 0.03 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 3itu h THR 819 Cb 0.73 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3itu h THR 819 CO 0.05 0.34 -0.07 -0.09 0.37 0.00 0.00 175.52 176.12 3itu h ARG 820 N 0.65 0.55 -0.49 6.66 2.43 -0.66 -1.27 114.38 122.25 3itu h ARG 820 Ca 0.13 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3itu h ARG 820 Cb 0.46 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3itu h ARG 820 CO 0.02 0.75 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.91 3itu h LYS 821 N 0.31 0.90 -0.03 0.20 1.63 -0.81 -2.52 116.57 116.26 3itu h LYS 821 Ca 0.07 -0.32 -0.15 0.00 -0.85 0.00 0.00 60.65 59.41 3itu h LYS 821 Cb 0.55 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3itu h LYS 821 CO 0.03 0.96 -0.66 0.82 -3.45 0.00 0.00 179.45 177.15 3itu h ILE 822 N 0.81 1.44 -0.39 2.00 1.08 -1.21 -2.35 117.51 118.88 3itu h ILE 822 Ca 0.13 -2.18 0.03 0.00 -0.39 0.00 0.00 64.86 62.46 3itu h ILE 822 Cb 0.63 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 3itu h ILE 822 CO 0.04 0.63 0.19 0.00 -0.69 0.00 0.00 178.15 178.32 3itu h ALA 823 N 1.23 0.48 -0.42 1.87 0.00 -1.11 0.44 119.26 121.75 3itu h ALA 823 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3itu h ALA 823 Cb 1.18 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 3itu h ALA 823 CO 0.10 -0.18 -0.05 1.49 0.00 0.00 0.00 179.25 180.60 3itu h GLU 824 N 0.38 0.05 -0.43 0.00 4.81 -1.12 -0.93 114.58 117.35 3itu h GLU 824 Ca 0.17 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3itu h GLU 824 Cb 0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3itu h GLU 824 CO -0.13 0.03 0.02 -0.07 -0.73 0.00 0.00 179.01 178.14 3itu h LEU 825 N 0.05 0.72 -0.24 1.64 3.38 -0.96 -1.84 115.31 118.05 3itu h LEU 825 Ca 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3itu h LEU 825 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3itu h LEU 825 CO -0.39 0.84 0.15 0.40 0.09 0.00 0.00 178.44 179.52 3itu h ILE 826 N 0.58 1.09 -0.30 1.22 2.04 -0.84 -1.64 117.51 119.65 3itu h ILE 826 Ca 0.12 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 3itu h ILE 826 Cb 0.45 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3itu h ILE 826 CO 0.02 0.08 -0.37 1.88 0.00 0.00 0.00 178.15 179.76 3itu h TYR 827 N 0.30 0.80 -0.28 1.37 0.05 -1.18 0.20 116.97 118.23 3itu h TYR 827 Ca 0.09 -0.23 0.04 0.00 0.05 0.00 0.00 58.73 58.68 3itu h TYR 827 Cb 0.01 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3itu h TYR 827 CO -0.05 0.95 0.03 0.87 -1.05 0.00 0.00 178.16 178.91 3itu h LYS 828 N 0.56 0.12 -0.17 4.88 1.57 -1.27 0.53 116.57 122.79 3itu h LYS 828 Ca 0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3itu h LYS 828 Cb 0.89 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 3itu h LYS 828 CO 0.08 0.08 0.09 1.49 -0.57 0.00 0.00 179.45 180.62 3itu h GLU 829 N 0.13 0.24 -0.25 3.15 4.81 -0.60 -1.44 114.58 120.62 3itu h GLU 829 Ca 0.13 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3itu h GLU 829 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3itu h GLU 829 CO -0.19 0.24 0.05 0.74 -0.73 0.00 0.00 179.01 179.12 3itu h PHE 830 N 0.17 0.08 -0.37 0.92 0.04 -0.35 -2.42 116.94 115.01 3itu h PHE 830 Ca 0.06 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 3itu h PHE 830 Cb 0.08 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3itu h PHE 830 CO -0.04 0.02 -0.22 0.74 -0.60 0.00 0.00 178.31 178.22 3itu h PHE 831 N 0.14 0.81 -0.94 -0.55 0.04 0.20 -0.57 116.94 116.07 3itu h PHE 831 Ca 0.11 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.74 3itu h PHE 831 Cb 0.11 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3itu h PHE 831 CO -0.15 0.87 0.62 1.03 -0.60 0.00 0.00 178.31 180.08 3itu h SER 832 N 0.63 1.02 -0.47 2.17 0.87 -1.11 0.55 113.55 117.20 3itu h SER 832 Ca 0.09 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 3itu h SER 832 Cb 0.71 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3itu h SER 832 CO 0.05 0.70 0.02 -0.61 -0.53 0.00 0.00 176.83 176.46 3itu h GLN 833 N 1.18 0.82 -0.65 2.24 4.15 -0.88 -2.27 115.11 119.71 3itu h GLN 833 Ca 0.38 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3itu h GLN 833 Cb 0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3itu h GLN 833 CO -0.12 0.86 0.37 0.78 -1.93 0.00 0.00 178.83 178.79 3itu h GLY 834 N 0.68 0.95 1.07 2.39 0.00 -0.60 -1.06 103.07 106.50 3itu h GLY 834 Ca 0.14 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3itu h GLY 834 CO 0.02 0.39 0.08 -0.55 0.00 0.00 0.00 176.54 176.49 3itu h ASP 835 N 0.90 1.05 -0.59 0.19 3.32 -0.72 0.08 116.42 120.65 3itu h ASP 835 Ca 0.23 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3itu h ASP 835 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3itu h ASP 835 CO -0.04 1.06 0.02 -0.07 -1.72 0.00 0.00 179.24 178.49 3itu h LEU 836 N 1.01 1.02 -0.41 1.55 3.38 -0.66 -2.11 115.31 119.09 3itu h LEU 836 Ca 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3itu h LEU 836 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3itu h LEU 836 CO 0.02 1.06 0.17 -0.33 0.09 0.00 0.00 178.44 179.45 3itu h GLU 837 N 0.96 0.61 -0.33 1.13 5.08 -0.75 -0.89 114.58 120.39 3itu h GLU 837 Ca 0.18 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3itu h GLU 837 Cb 0.53 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3itu h GLU 837 CO 0.03 0.56 0.03 0.87 -1.00 0.00 0.00 179.01 179.50 3itu h LYS 838 N 0.52 0.13 -0.16 2.33 1.57 -0.89 -1.02 116.57 119.05 3itu h LYS 838 Ca 0.14 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3itu h LYS 838 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3itu h LYS 838 CO -0.01 0.08 0.16 0.00 -0.57 0.00 0.00 179.45 179.11 3itu h ALA 839 N 1.27 1.82 0.00 3.86 0.00 -1.10 -1.19 119.26 123.92 3itu h ALA 839 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3itu h ALA 839 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3itu h ALA 839 CO -0.24 -0.24 0.00 -1.33 0.00 0.00 0.00 179.25 177.44 3itu n MET 840 N -3.91 0.63 0.00 0.00 2.81 -0.36 -4.95 117.12 111.33 3itu n MET 840 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3itu n MET 840 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.16 2.76 3.80 3.03 0.00 -0.45 -5.05 105.19 110.44 3itu n GLY 841 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.51 5.15 -0.32 1.61 0.01 -0.46 -4.94 114.94 114.48 3itu s ASN 842 Ca 0.00 1.71 -0.11 0.00 -0.71 0.00 0.00 52.86 53.75 3itu s ASN 842 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 3itu s ASN 842 CO 0.00 -1.60 0.19 -0.13 -1.51 0.00 0.00 177.10 174.05 3itu s ARG 843 N -4.86 3.49 0.80 -0.60 1.81 -1.26 -3.49 118.95 114.83 3itu s ARG 843 Ca 0.60 -0.63 -0.13 0.00 -1.72 0.00 0.00 55.73 53.85 3itu s ARG 843 Cb -0.15 -3.68 0.08 0.00 -0.45 0.00 0.00 34.95 30.75 3itu s ARG 843 CO 0.53 -0.40 1.18 -1.25 -0.68 0.00 0.00 175.30 174.68 3itu s PRO 844 N 1.68 1.73 0.82 3.54 0.04 -1.26 -4.99 135.00 136.55 3itu s PRO 844 Ca 0.06 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 3itu s PRO 844 Cb -0.17 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.66 3itu s PRO 844 CO 0.09 -2.13 1.12 0.00 0.04 0.00 0.00 177.00 176.12 3itu s MET 845 N -4.24 1.78 0.24 4.56 0.23 -1.26 -4.80 119.30 115.81 3itu s MET 845 Ca 0.71 1.37 -0.06 0.00 -1.03 0.00 0.00 55.69 56.68 3itu s MET 845 Cb -0.26 -1.83 0.31 0.00 -1.53 0.00 0.00 34.83 31.52 3itu s MET 845 CO 0.51 -2.03 1.86 1.49 -2.03 0.00 0.00 175.02 174.81 3itu h GLU 846 N -1.31 0.97 0.00 3.16 4.81 -1.94 -1.15 114.58 119.12 3itu h GLU 846 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3itu h GLU 846 Cb 1.25 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3itu h GLU 846 CO 0.47 0.64 0.00 0.00 -0.73 0.00 0.00 179.01 179.39 3itu n MET 847 N -4.60 0.13 -0.08 1.92 0.00 -1.26 -0.76 117.12 112.46 3itu n MET 847 Ca 0.12 0.54 0.07 0.00 0.00 0.00 0.00 57.70 58.43 3itu n MET 847 Cb 0.15 -1.84 0.11 0.00 0.00 0.00 0.00 33.22 31.64 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 -2.10 1.68 -3.50 3.17 2.81 -0.45 -4.68 117.12 114.05 3itu n MET 848 Ca 0.00 -1.68 -0.42 0.00 -1.81 0.00 0.00 57.70 53.79 3itu n MET 848 Cb 0.09 -1.30 -0.09 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.13 5.89 0.00 7.83 -1.08 0.06 -3.50 116.67 124.75 3itu s ASP 849 Ca 0.22 -1.38 0.10 0.00 -0.52 0.00 0.00 52.55 50.97 3itu s ASP 849 Cb 0.13 -2.09 0.43 0.00 -1.46 0.00 0.00 42.92 39.94 3itu s ASP 849 CO 0.19 -0.58 1.31 -2.11 0.52 0.00 0.00 175.17 174.50 3itu n ARG 850 N 5.06 0.01 0.09 4.34 1.85 -1.26 -0.34 116.66 126.41 3itu n ARG 850 Ca -0.11 0.32 0.10 0.00 -1.00 0.00 0.00 57.85 57.15 3itu n ARG 850 Cb 0.44 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.48 0.61 -0.08 2.89 -0.58 -1.26 -4.46 120.64 116.27 3itu n GLU 851 Ca 0.03 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 3itu n GLU 851 Cb 0.11 -1.82 -0.08 0.00 -0.57 0.00 0.00 31.44 29.09 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 -2.69 0.42 -1.70 3.49 4.01 -0.59 -5.02 118.16 116.08 3itu n LYS 852 Ca -0.01 0.10 -0.44 0.00 -0.51 0.00 0.00 58.31 57.45 3itu n LYS 852 Cb 0.59 -1.33 -0.03 0.00 -0.51 0.00 0.00 35.03 33.74 3itu n LYS 852 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3itu n ALA 853 N -2.99 1.88 -3.76 7.82 0.00 0.54 -4.97 120.51 119.03 3itu n ALA 853 Ca -0.29 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 3itu n ALA 853 Cb 0.81 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.76 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 0.41 3.58 0.24 0.00 5.04 -1.26 -4.97 117.35 120.39 3itu s TYR 854 Ca 0.71 -2.38 -0.05 0.00 -2.44 0.00 0.00 57.07 52.91 3itu s TYR 854 Cb -0.59 -3.24 0.38 0.00 0.35 0.00 0.00 41.96 38.86 3itu s TYR 854 CO 0.43 -0.97 1.80 0.82 -1.34 0.00 0.00 175.55 176.29 3itu h ILE 855 N 6.35 0.89 -0.95 3.14 2.04 -1.99 -1.86 117.51 125.12 3itu h ILE 855 Ca -0.13 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3itu h ILE 855 Cb 1.05 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3itu h ILE 855 CO 0.71 0.13 0.63 -0.65 0.00 0.00 0.00 178.15 178.97 3itu h PRO 856 N 0.73 1.23 -0.08 2.37 0.11 -1.94 0.36 132.00 134.77 3itu h PRO 856 Ca 0.38 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.23 3itu h PRO 856 Cb 0.37 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3itu h PRO 856 CO -0.26 0.81 -0.75 1.05 -0.21 0.00 0.00 178.00 178.64 3itu h GLU 857 N 1.26 0.46 -0.18 1.05 4.11 -1.77 -0.75 114.58 118.77 3itu h GLU 857 Ca 0.36 -0.38 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 3itu h GLU 857 Cb -0.10 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3itu h GLU 857 CO -0.09 1.02 -0.11 -0.07 0.07 0.00 0.00 179.01 179.83 3itu h LEU 858 N 0.31 0.40 -0.53 3.06 3.38 -1.06 -1.52 115.31 119.34 3itu h LEU 858 Ca -0.04 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3itu h LEU 858 Cb 1.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3itu h LEU 858 CO 0.13 0.75 -0.02 1.56 0.09 0.00 0.00 178.44 180.96 3itu h GLN 859 N 0.06 0.95 -0.46 1.13 1.08 -0.88 -0.57 115.11 116.42 3itu h GLN 859 Ca 0.04 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 3itu h GLN 859 Cb 0.61 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3itu h GLN 859 CO 0.03 0.97 0.03 0.82 -0.95 0.00 0.00 178.83 179.74 3itu h ILE 860 N 0.83 1.23 -0.22 2.54 2.04 -1.04 -0.62 117.51 122.26 3itu h ILE 860 Ca 0.15 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3itu h ILE 860 Cb 0.55 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3itu h ILE 860 CO 0.03 0.32 -0.05 -1.28 0.00 0.00 0.00 178.15 177.17 3itu h SER 861 N 0.69 0.42 -0.56 1.72 0.87 -1.02 0.11 113.55 115.77 3itu h SER 861 Ca 0.14 -0.36 0.08 0.00 -1.23 0.00 0.00 61.79 60.42 3itu h SER 861 Cb 0.37 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.15 3itu h SER 861 CO 0.01 0.68 0.20 0.15 -0.53 0.00 0.00 176.83 177.34 3itu h PHE 862 N 0.15 0.34 -0.34 2.24 3.57 -0.82 0.15 116.94 122.23 3itu h PHE 862 Ca 0.06 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 3itu h PHE 862 Cb 0.50 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3itu h PHE 862 CO 0.05 0.09 -0.37 0.52 -2.23 0.00 0.00 178.31 176.37 3itu h MET 863 N 0.37 0.80 0.15 1.11 2.86 -0.71 -0.33 114.93 119.19 3itu h MET 863 Ca 0.28 -0.41 -0.31 0.00 -2.06 0.00 0.00 59.70 57.21 3itu h MET 863 Cb 0.33 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.01 3itu h MET 863 CO -0.29 1.04 -1.45 1.49 1.06 0.00 0.00 176.91 178.76 3itu h GLU 864 N 0.66 0.33 0.00 1.72 4.81 -0.48 0.30 114.58 121.91 3itu h GLU 864 Ca 0.06 -0.56 -0.16 0.00 -0.13 0.00 0.00 59.36 58.57 3itu h GLU 864 Cb 0.93 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3itu h GLU 864 CO 0.09 1.23 -2.01 0.72 -0.73 0.00 0.00 179.01 178.31 3itu n HIS 865 N -3.54 0.19 -0.01 0.92 8.25 0.50 -4.39 115.22 117.14 3itu n HIS 865 Ca -0.15 0.06 -0.05 0.00 -0.26 0.00 0.00 57.72 57.33 3itu n HIS 865 Cb 1.05 -0.79 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.55 0.95 -0.01 1.59 5.41 -0.24 -4.77 119.36 119.75 3itu n ILE 866 Ca -0.15 0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 3itu n ILE 866 Cb 0.82 -1.72 -0.13 0.00 -0.71 0.00 0.00 39.64 37.90 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 -0.29 -0.00 -0.39 -1.39 0.00 -1.24 -3.10 119.26 112.86 3itu h ALA 867 Ca -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.31 3itu h ALA 867 Cb 0.66 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3itu h ALA 867 CO -0.05 0.20 0.15 0.52 0.00 0.00 0.00 179.25 180.07 3itu h MET 868 N -0.48 0.31 -0.65 0.00 2.86 -0.62 -2.04 114.93 114.32 3itu h MET 868 Ca -0.06 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3itu h MET 868 Cb 1.24 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 3itu h MET 868 CO 0.08 0.21 0.43 -1.35 1.06 0.00 0.00 176.91 177.34 3itu h PRO 869 N 0.32 0.69 0.53 -0.22 0.11 -1.76 0.33 132.00 132.00 3itu h PRO 869 Ca 0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 3itu h PRO 869 Cb 0.14 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.10 3itu h PRO 869 CO -0.16 0.46 -0.26 0.82 -0.21 0.00 0.00 178.00 178.65 3itu h ILE 870 N 0.71 0.48 0.00 4.15 2.04 -1.33 -1.62 117.51 121.94 3itu h ILE 870 Ca 0.27 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 3itu h ILE 870 Cb 0.17 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3itu h ILE 870 CO -0.08 0.00 -0.33 1.88 0.00 0.00 0.00 178.15 179.63 3itu h TYR 871 N -0.72 0.00 -0.22 1.37 0.05 -0.78 -0.66 116.97 116.01 3itu h TYR 871 Ca -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 3itu h TYR 871 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3itu h TYR 871 CO -0.04 0.33 0.01 -0.22 -1.05 0.00 0.00 178.16 177.19 3itu h LYS 872 N 0.00 0.39 -0.36 4.88 1.63 -0.21 -0.87 116.57 122.03 3itu h LYS 872 Ca -0.00 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 59.75 3itu h LYS 872 Cb 0.75 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.27 3itu h LYS 872 CO 0.04 0.57 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.41 3itu h LEU 873 N 0.16 -0.45 -0.84 5.20 3.38 -0.95 0.17 115.31 121.99 3itu h LEU 873 Ca 0.06 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.27 3itu h LEU 873 Cb 0.39 0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 3itu h LEU 873 CO 0.01 -0.16 0.47 0.25 0.09 0.00 0.00 178.44 179.09 3itu h LEU 874 N -0.05 0.64 -0.58 1.67 5.85 -1.00 -0.97 115.31 120.87 3itu h LEU 874 Ca 0.18 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3itu h LEU 874 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3itu h LEU 874 CO -0.40 0.34 0.04 -0.61 -0.34 0.00 0.00 178.44 177.47 3itu h GLN 875 N 0.75 1.00 -0.89 1.25 4.15 -0.56 0.22 115.11 121.04 3itu h GLN 875 Ca 0.42 -0.30 0.04 0.00 0.77 0.00 0.00 58.65 59.58 3itu h GLN 875 Cb 0.45 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 3itu h GLN 875 CO -0.28 0.98 0.58 -0.44 -1.93 0.00 0.00 178.83 177.74 3itu h ASP 876 N 0.90 0.93 0.73 -0.69 3.32 0.57 -2.77 116.42 119.41 3itu h ASP 876 Ca 0.17 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.96 3itu h ASP 876 Cb 0.50 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3itu h ASP 876 CO 0.02 0.63 -1.33 -0.07 -1.72 0.00 0.00 179.24 176.77 3itu h LEU 877 N 1.08 0.07 -6.77 1.55 3.38 -0.88 -3.43 115.31 110.30 3itu h LEU 877 Ca 0.36 -0.10 -0.54 0.00 0.09 0.00 0.00 57.88 57.69 3itu h LEU 877 Cb 0.07 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.40 3itu h LEU 877 CO -0.12 1.08 -0.79 -0.36 0.09 0.00 0.00 178.44 178.34 3itu s PHE 878 N -2.66 0.50 0.56 1.13 0.08 0.73 -5.01 117.98 113.31 3itu s PHE 878 Ca -0.03 -1.10 0.24 0.00 0.12 0.00 0.00 56.93 56.16 3itu s PHE 878 Cb 0.09 -0.96 1.54 0.00 -0.57 0.00 0.00 43.02 43.11 3itu s PHE 878 CO 0.83 -0.83 2.16 -1.35 -0.10 0.00 0.00 175.22 175.92 3itu h PRO 879 N 8.07 0.00 0.00 0.24 0.11 -1.78 -0.85 132.00 137.80 3itu h PRO 879 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3itu h PRO 879 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3itu h PRO 879 CO 0.40 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.82 3itu n LYS 880 N -4.16 0.34 -0.14 1.05 5.02 -1.26 -2.30 118.16 116.71 3itu n LYS 880 Ca -0.01 0.08 0.10 0.00 -2.02 0.00 0.00 58.31 56.47 3itu n LYS 880 Cb 0.19 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.17 2.47 -0.26 7.82 0.00 -0.32 -4.47 120.51 124.58 3itu n ALA 881 Ca 0.09 -0.71 0.10 0.00 0.00 0.00 0.00 53.44 52.93 3itu n ALA 881 Cb 0.09 -1.00 0.36 0.00 0.00 0.00 0.00 19.45 18.90 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 4.15 1.78 0.00 0.00 0.00 -1.63 -0.62 119.26 122.95 3itu h ALA 882 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3itu h ALA 882 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3itu h ALA 882 CO 0.00 0.00 -0.03 1.05 0.00 0.00 0.00 179.25 180.27 3itu h GLU 883 N 0.73 0.00 0.06 0.00 4.11 -1.87 -1.25 114.58 116.37 3itu h GLU 883 Ca 0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.85 3itu h GLU 883 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3itu h GLU 883 CO -0.18 0.03 -0.03 -0.07 0.07 0.00 0.00 179.01 178.83 3itu h LEU 884 N 0.00 -0.07 -0.37 3.06 3.38 -1.45 -0.63 115.31 119.24 3itu h LEU 884 Ca -0.00 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3itu h LEU 884 Cb 0.05 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3itu h LEU 884 CO 0.00 0.17 0.11 0.22 0.09 0.00 0.00 178.44 179.03 3itu h TYR 885 N -0.30 0.19 -0.95 1.13 3.20 -1.44 -0.93 116.97 117.86 3itu h TYR 885 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3itu h TYR 885 Cb 0.27 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3itu h TYR 885 CO 0.00 0.06 0.62 0.93 -1.64 0.00 0.00 178.16 178.14 3itu h GLU 886 N 0.25 1.26 -0.24 1.82 5.08 -1.09 -1.00 114.58 120.66 3itu h GLU 886 Ca 0.17 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3itu h GLU 886 Cb 0.17 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3itu h GLU 886 CO -0.19 0.84 -0.31 0.00 -1.00 0.00 0.00 179.01 178.35 3itu h ARG 887 N 1.30 0.63 -0.59 2.33 2.47 -0.60 0.51 114.38 120.43 3itu h ARG 887 Ca 0.35 -0.36 0.09 0.00 -1.26 0.00 0.00 59.98 58.79 3itu h ARG 887 Cb -0.14 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.14 3itu h ARG 887 CO -0.07 0.97 0.23 0.28 0.56 0.00 0.00 179.97 181.93 3itu h VAL 888 N 0.34 0.80 -0.55 2.04 2.07 -0.90 0.23 116.25 120.28 3itu h VAL 888 Ca 0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3itu h VAL 888 Cb 0.89 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3itu h VAL 888 CO 0.07 0.08 0.20 0.00 0.02 0.00 0.00 177.57 177.94 3itu h ALA 889 N 1.40 0.72 -0.44 1.67 0.00 -0.87 0.08 119.26 121.82 3itu h ALA 889 Ca 0.29 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3itu h ALA 889 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3itu h ALA 889 CO -0.28 0.35 -0.12 1.03 0.00 0.00 0.00 179.25 180.22 3itu h SER 890 N 0.75 0.79 -0.75 0.00 0.87 -0.32 -0.00 113.55 114.89 3itu h SER 890 Ca 0.18 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3itu h SER 890 Cb 0.23 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3itu h SER 890 CO -0.01 0.93 0.27 0.78 -0.53 0.00 0.00 176.83 178.27 3itu h ASN 891 N 0.72 1.07 -0.31 6.23 2.35 -0.26 -2.29 115.58 123.08 3itu h ASN 891 Ca 0.12 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3itu h ASN 891 Cb 0.61 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3itu h ASN 891 CO 0.04 0.97 0.16 -0.09 -1.65 0.00 0.00 177.43 176.86 3itu h ARG 892 N 1.11 0.44 -0.94 0.81 2.43 -0.60 -1.89 114.38 115.74 3itu h ARG 892 Ca 0.25 -0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.51 3itu h ARG 892 Cb 0.26 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 3itu h ARG 892 CO -0.01 0.40 0.60 0.93 -1.51 0.00 0.00 179.97 180.38 3itu h GLU 893 N 0.37 0.74 -0.30 0.20 4.39 -0.82 -2.28 114.58 116.88 3itu h GLU 893 Ca 0.11 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 3itu h GLU 893 Cb 0.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3itu h GLU 893 CO -0.01 0.49 -0.39 1.25 -1.16 0.00 0.00 179.01 179.19 3itu h HIS 894 N 0.76 0.85 -0.49 4.33 2.76 -0.95 0.12 115.15 122.54 3itu h HIS 894 Ca 0.49 -0.25 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3itu h HIS 894 Cb 0.73 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 3itu h HIS 894 CO -0.00 0.99 0.29 -1.49 -1.30 0.00 0.00 177.93 176.42 3itu h TRP 895 N 0.59 0.64 -0.87 5.26 4.06 -0.86 -2.09 115.95 122.67 3itu h TRP 895 Ca 0.05 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.03 3itu h TRP 895 Cb 0.93 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.83 3itu h TRP 895 CO 0.05 0.45 0.57 1.79 -3.56 0.00 0.00 178.44 177.74 3itu h THR 896 N 0.65 1.14 -0.14 1.49 1.35 -0.96 -2.07 112.91 114.38 3itu h THR 896 Ca 0.17 -0.37 -0.05 0.00 -0.55 0.00 0.00 66.41 65.61 3itu h THR 896 Cb -0.01 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.37 3itu h THR 896 CO -0.03 0.20 -0.14 0.50 -0.25 0.00 0.00 175.52 175.80 3itu h LYS 897 N 1.08 0.22 -0.04 4.72 3.64 -0.39 -3.18 116.57 122.62 3itu h LYS 897 Ca 0.35 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3itu h LYS 897 Cb 0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3itu h LYS 897 CO -0.10 0.36 0.00 1.33 -2.27 0.00 0.00 179.45 178.77 3itu n VAL 898 N -4.27 0.03 -0.22 2.00 0.24 -0.84 -4.58 118.33 110.69 3itu n VAL 898 Ca -0.01 -0.52 0.07 0.00 -2.04 0.00 0.00 64.34 61.85 3itu n VAL 898 Cb 0.27 1.31 0.34 0.00 -1.47 0.00 0.00 33.84 34.28 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 3.16 0.71 0.20 -1.34 0.02 -1.35 -1.23 113.55 113.71 3itu h SER 899 Ca 0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3itu h SER 899 Cb 0.68 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3itu h SER 899 CO 0.00 0.44 -0.02 1.12 -1.14 0.00 0.00 176.83 177.23 3itu h HIS 900 N 0.80 0.00 0.00 3.45 2.07 -1.81 -0.31 115.15 119.35 3itu h HIS 900 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 3itu h HIS 900 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 3itu h HIS 900 CO -0.00 0.02 0.00 0.87 -3.07 0.00 0.00 177.93 175.75 3itu h LYS 901 N 0.00 0.00 -0.01 5.12 1.57 -1.57 -1.74 116.57 119.95 3itu h LYS 901 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3itu h LYS 901 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 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 -2.34 0.00 -4.49 -1.35 3.72 -0.13 -4.63 117.46 108.24 3itu n PHE 902 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3itu n PHE 902 Cb 0.16 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.00 3.96 -0.65 4.37 2.01 -0.65 -5.06 115.64 117.61 3itu s THR 903 Ca 0.43 -0.37 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 3itu s THR 903 Cb 0.21 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3itu s THR 903 CO 0.35 0.58 1.14 -0.63 -0.69 0.00 0.00 174.62 175.37 3itu s ILE 904 N -0.60 4.03 0.25 1.82 1.01 -1.26 -5.01 121.20 121.45 3itu s ILE 904 Ca 0.09 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 3itu s ILE 904 Cb -0.12 -4.76 -0.06 0.00 0.01 0.00 0.00 42.46 37.54 3itu s ILE 904 CO 0.02 -1.52 0.53 -0.13 0.00 0.00 0.00 174.94 173.84 3itu s ARG 905 N 4.90 3.67 3.69 2.79 0.52 -1.26 -4.94 118.95 128.32 3itu s ARG 905 Ca 0.34 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 3itu s ARG 905 Cb -0.10 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.69 3itu s ARG 905 CO 0.17 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.18 3itu n GLY 906 N -0.61 0.85 3.93 -3.53 0.00 -1.26 -4.73 105.19 99.84 3itu n GLY 906 Ca -0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 4.18 0.82 0.99 1.43 -1.26 -5.10 118.68 119.74 3itu s LEU 907 Ca 0.00 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 3itu s LEU 907 Cb 0.00 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.59 3itu s LEU 907 CO 0.00 -0.06 1.19 -2.84 0.23 0.00 0.00 176.35 174.87 3itu s PRO 908 N -3.93 1.59 0.60 1.29 0.02 -1.26 -4.83 135.00 128.47 3itu s PRO 908 Ca 0.34 1.71 0.29 0.00 0.02 0.00 0.00 61.00 63.36 3itu s PRO 908 Cb -0.09 -1.77 1.52 0.00 0.02 0.00 0.00 34.50 34.17 3itu s PRO 908 CO 0.28 -2.24 1.93 0.66 -0.33 0.00 0.00 177.00 177.29 3itu h SER 909 N -1.01 0.00 0.44 2.53 4.64 -1.97 1.06 113.55 119.24 3itu h SER 909 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3itu h SER 909 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3itu h SER 909 CO 0.46 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.96 3itu n ASN 910 N -3.64 0.00 -1.49 4.97 0.23 -1.26 -4.91 115.26 109.17 3itu n ASN 910 Ca 0.06 -0.25 -0.16 0.00 -0.53 0.00 0.00 54.58 53.71 3itu n ASN 910 Cb 0.59 -0.24 -0.04 0.00 -2.08 0.00 0.00 39.78 38.01 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 -1.24 -4.83 -4.26 0.53 3.02 0.36 -5.01 115.26 103.84 3itu n ASN 911 Ca 0.15 0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.70 3itu n ASN 911 Cb 0.20 -3.83 -0.12 0.00 -0.61 0.00 0.00 39.78 35.43 3itu n ASN 911 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3itu s SER 912 N -2.58 2.20 -0.18 6.41 0.15 -1.26 -4.95 113.70 113.48 3itu s SER 912 Ca 0.00 -0.75 0.16 0.00 0.70 0.00 0.00 55.95 56.05 3itu s SER 912 Cb 0.00 -0.10 0.62 0.00 -1.71 0.00 0.00 66.02 64.84 3itu s SER 912 CO 0.00 -0.06 1.53 0.18 1.20 0.00 0.00 173.24 176.09 3itu n LEU 913 N 0.76 4.48 0.00 3.45 4.77 -1.26 -4.16 117.00 125.04 3itu n LEU 913 Ca -0.17 -2.90 0.04 0.00 -0.03 0.00 0.00 56.01 52.96 3itu n LEU 913 Cb 0.56 -0.57 0.25 0.00 -2.33 0.00 0.00 43.42 41.32 3itu n LEU 913 CO 0.25 0.67 0.53 -0.90 -1.33 0.00 0.00 177.39 176.61 3itu n ASP 914 N 0.01 0.00 0.00 -1.43 5.68 -1.26 -2.40 116.55 117.16 3itu n ASP 914 Ca 0.23 -0.12 0.08 0.00 -0.50 0.00 0.00 54.79 54.49 3itu n ASP 914 Cb 0.96 -0.11 0.49 0.00 -1.14 0.00 0.00 41.12 41.33 3itu n ASP 914 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3itu n PHE 915 N -1.11 0.00 0.88 2.11 1.16 -1.26 -5.28 117.46 113.95 3itu n PHE 915 Ca 0.06 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.74 3itu n PHE 915 Cb 0.05 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.00 3itu n PHE 915 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17