#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g49 s ARG 584 N 0.00 1.17 0.47 3.97 0.52 -1.26 -4.93 118.95 118.89 1g49 s ARG 584 Ca 0.00 -1.38 0.07 0.00 -0.52 0.00 0.00 55.73 53.90 1g49 s ARG 584 Cb 0.00 -1.06 -0.00 0.00 0.52 0.00 0.00 34.95 34.40 1g49 s ARG 584 CO 0.00 0.20 0.35 0.95 0.02 0.00 0.00 175.30 176.81 1g49 s THR 585 N -2.37 2.14 0.57 0.02 -4.23 -1.26 -1.69 115.64 108.82 1g49 s THR 585 Ca 0.14 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1g49 s THR 585 Cb -0.04 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1g49 s THR 585 CO 0.05 0.00 0.97 -0.36 -0.54 0.00 0.00 174.62 174.74 1g49 s PHE 586 N -2.63 3.58 0.08 3.99 0.40 -1.25 -4.63 117.98 117.53 1g49 s PHE 586 Ca 0.40 1.24 -0.33 0.00 -0.60 0.00 0.00 56.93 57.64 1g49 s PHE 586 Cb -0.01 -2.66 -0.12 0.00 0.51 0.00 0.00 43.02 40.74 1g49 s PHE 586 CO 0.24 -0.55 1.73 -2.30 0.70 0.00 0.00 175.22 175.04 1g49 n PRO 587 N -2.41 2.33 -0.62 0.24 -0.02 -1.26 -0.39 135.00 132.87 1g49 n PRO 587 Ca 0.05 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1g49 n PRO 587 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1g49 n PRO 587 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g49 n GLY 588 N 3.90 0.86 3.50 -1.23 0.00 -1.26 -4.35 105.19 106.59 1g49 n GLY 588 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1g49 n GLY 588 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1g49 n ILE 589 N -2.00 -6.47 -2.15 -0.61 3.06 0.48 -4.91 119.36 106.75 1g49 n ILE 589 Ca 0.00 -0.82 -0.41 0.00 -2.50 0.00 0.00 62.75 59.02 1g49 n ILE 589 Cb 0.00 -4.99 -0.03 0.00 0.54 0.00 0.00 39.64 35.16 1g49 n ILE 589 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1g49 s PRO 590 N -5.35 4.37 0.10 9.51 0.04 -1.26 -5.00 135.00 137.41 1g49 s PRO 590 Ca 0.21 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 1g49 s PRO 590 Cb -0.04 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.39 1g49 s PRO 590 CO 0.78 -0.24 0.36 -1.59 0.04 0.00 0.00 177.00 176.35 1g49 s LYS 591 N -0.82 0.99 0.34 4.56 -2.85 -1.26 -4.51 119.74 116.18 1g49 s LYS 591 Ca 0.54 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 54.55 1g49 s LYS 591 Cb -0.38 0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 35.72 1g49 s LYS 591 CO 0.44 -0.37 1.28 -1.58 0.10 0.00 0.00 175.35 175.22 1g49 s TRP 592 N -3.52 3.08 -0.37 1.78 0.52 -1.26 -4.87 118.94 114.30 1g49 s TRP 592 Ca 0.01 1.45 0.22 0.00 0.02 0.00 0.00 56.10 57.80 1g49 s TRP 592 Cb 0.02 -3.62 0.25 0.00 -1.15 0.00 0.00 33.47 28.96 1g49 s TRP 592 CO -0.10 -1.71 1.49 -0.09 0.02 0.00 0.00 176.95 176.56 1g49 h ARG 593 N 3.32 0.00 -6.21 4.98 2.43 -2.01 -3.46 114.38 113.44 1g49 h ARG 593 Ca -0.49 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.20 1g49 h ARG 593 Cb 1.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1g49 h ARG 593 CO 0.65 0.06 -0.39 -1.59 -1.51 0.00 0.00 179.97 177.20 1g49 s LYS 594 N -3.20 2.63 -0.01 0.20 -2.85 -1.26 -5.04 119.74 110.20 1g49 s LYS 594 Ca 0.05 -1.43 0.09 0.00 -1.00 0.00 0.00 55.97 53.69 1g49 s LYS 594 Cb 0.06 -2.45 -0.15 0.00 -2.06 0.00 0.00 37.83 33.24 1g49 s LYS 594 CO 0.70 -0.10 0.20 0.25 0.10 0.00 0.00 175.35 176.50 1g49 n THR 595 N -1.52 0.01 -3.61 3.79 -2.24 -1.26 -4.91 114.28 104.54 1g49 n THR 595 Ca 0.02 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 1g49 n THR 595 Cb 0.61 0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1g49 n THR 595 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1g49 s HIS 596 N -2.64 3.19 0.10 4.78 5.65 -1.26 -0.99 115.29 124.12 1g49 s HIS 596 Ca -0.03 -0.19 0.09 0.00 0.25 0.00 0.00 55.06 55.17 1g49 s HIS 596 Cb 0.06 -2.38 -0.04 0.00 -1.18 0.00 0.00 32.58 29.04 1g49 s HIS 596 CO 0.39 -0.30 -0.18 -0.51 -0.65 0.00 0.00 174.74 173.49 1g49 s LEU 597 N 1.70 2.69 0.13 8.88 1.02 0.26 -4.97 118.68 128.39 1g49 s LEU 597 Ca 0.06 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.71 1g49 s LEU 597 Cb -0.16 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1g49 s LEU 597 CO 0.09 0.19 0.19 0.42 0.02 0.00 0.00 176.35 177.26 1g49 s THR 598 N -1.10 4.93 0.18 5.49 -4.23 -1.26 -1.09 115.64 118.56 1g49 s THR 598 Ca 0.17 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1g49 s THR 598 Cb -0.11 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1g49 s THR 598 CO 0.09 -0.02 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.39 1g49 s TYR 599 N -1.64 1.36 -0.10 3.99 -0.85 0.36 -1.42 117.35 119.04 1g49 s TYR 599 Ca 0.33 -0.87 -0.06 0.00 -0.52 0.00 0.00 57.07 55.95 1g49 s TYR 599 Cb -0.11 -0.75 0.04 0.00 0.38 0.00 0.00 41.96 41.52 1g49 s TYR 599 CO 0.26 -0.02 0.24 0.50 -1.52 0.00 0.00 175.55 175.01 1g49 s ARG 600 N -3.82 0.22 -0.50 -3.49 3.52 -0.83 -0.52 118.95 113.53 1g49 s ARG 600 Ca 0.22 0.47 -0.19 0.00 -0.13 0.00 0.00 55.73 56.10 1g49 s ARG 600 Cb 0.04 -0.05 0.05 0.00 -1.56 0.00 0.00 34.95 33.44 1g49 s ARG 600 CO 0.04 -0.13 0.63 0.42 -0.81 0.00 0.00 175.30 175.46 1g49 s ILE 601 N 0.95 4.86 0.14 4.11 1.01 -1.26 -1.03 121.20 129.98 1g49 s ILE 601 Ca -0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1g49 s ILE 601 Cb -0.08 -4.29 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 1g49 s ILE 601 CO -0.06 -0.79 1.33 0.58 0.00 0.00 0.00 174.94 176.00 1g49 h VAL 602 N 5.86 1.45 -3.84 2.92 2.07 -0.91 -3.47 116.25 120.33 1g49 h VAL 602 Ca -0.27 -2.54 -0.16 0.00 0.82 0.00 0.00 66.70 64.56 1g49 h VAL 602 Cb 1.09 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 33.23 1g49 h VAL 602 CO 0.96 0.75 -0.14 0.54 0.02 0.00 0.00 177.57 179.70 1g49 s ASN 603 N -7.01 0.36 0.01 0.57 2.20 -1.25 -5.06 114.94 104.76 1g49 s ASN 603 Ca -0.04 -1.21 0.04 0.00 -0.94 0.00 0.00 52.86 50.70 1g49 s ASN 603 Cb 0.09 0.63 -0.01 0.00 -2.00 0.00 0.00 41.25 39.96 1g49 s ASN 603 CO 0.85 -1.25 -0.12 -0.31 -2.94 0.00 0.00 177.10 173.33 1g49 s TYR 604 N -3.45 1.11 0.42 1.54 1.51 -1.26 -4.50 117.35 112.72 1g49 s TYR 604 Ca 0.26 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.84 1g49 s TYR 604 Cb -0.01 -0.69 -0.10 0.00 -0.11 0.00 0.00 41.96 41.05 1g49 s TYR 604 CO 0.14 -0.00 0.99 -0.08 -1.11 0.00 0.00 175.55 175.49 1g49 s THR 605 N -0.49 4.09 0.13 -0.71 -1.32 -1.26 -4.95 115.64 111.12 1g49 s THR 605 Ca 0.03 1.41 0.34 0.00 -1.21 0.00 0.00 61.69 62.27 1g49 s THR 605 Cb -0.06 -3.64 0.38 0.00 -1.51 0.00 0.00 72.50 67.68 1g49 s THR 605 CO 0.00 -0.17 2.02 -0.65 -2.21 0.00 0.00 174.62 173.61 1g49 h PRO 606 N 2.12 0.00 0.00 7.08 0.11 -2.00 -3.31 132.00 136.00 1g49 h PRO 606 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1g49 h PRO 606 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1g49 h PRO 606 CO 0.61 0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.87 1g49 h ASP 607 N 0.00 0.00 -5.28 -2.05 3.32 -1.92 -3.45 116.42 107.04 1g49 h ASP 607 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1g49 h ASP 607 Cb 0.39 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 1g49 h ASP 607 CO 0.00 0.09 -0.53 -0.76 -1.72 0.00 0.00 179.24 176.32 1g49 s LEU 608 N -7.88 1.74 0.57 1.55 1.43 -1.25 -4.91 118.68 109.94 1g49 s LEU 608 Ca -0.04 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.90 1g49 s LEU 608 Cb 0.15 0.60 -0.05 0.00 0.03 0.00 0.00 46.19 46.92 1g49 s LEU 608 CO 0.61 -0.73 1.18 -2.84 0.23 0.00 0.00 176.35 174.80 1g49 s PRO 609 N -3.96 3.16 0.23 1.29 0.02 -1.26 -4.81 135.00 129.68 1g49 s PRO 609 Ca 0.14 1.75 -0.06 0.00 0.02 0.00 0.00 61.00 62.85 1g49 s PRO 609 Cb 0.06 -1.99 0.40 0.00 0.02 0.00 0.00 34.50 33.00 1g49 s PRO 609 CO -0.05 -1.04 1.72 0.87 -0.33 0.00 0.00 177.00 178.18 1g49 h LYS 610 N 1.08 0.36 -0.77 5.54 1.57 -1.99 -1.71 116.57 120.66 1g49 h LYS 610 Ca -0.50 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.32 1g49 h LYS 610 Cb 1.28 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1g49 h LYS 610 CO 0.56 0.24 0.50 0.38 -0.57 0.00 0.00 179.45 180.56 1g49 h ASP 611 N 0.37 0.71 -0.19 0.86 3.04 -1.99 -0.14 116.42 119.08 1g49 h ASP 611 Ca 0.38 0.01 -0.14 0.00 -3.24 0.00 0.00 57.03 54.04 1g49 h ASP 611 Cb 0.58 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 1g49 h ASP 611 CO -0.41 0.45 -0.37 0.00 -2.04 0.00 0.00 179.24 176.87 1g49 h ALA 612 N 1.59 0.77 -0.23 4.15 0.00 -1.69 0.14 119.26 123.99 1g49 h ALA 612 Ca 0.33 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1g49 h ALA 612 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1g49 h ALA 612 CO -0.12 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.14 1g49 h VAL 613 N 0.59 1.19 -0.84 0.00 2.07 -0.99 -1.27 116.25 117.00 1g49 h VAL 613 Ca 0.06 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1g49 h VAL 613 Cb 0.90 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1g49 h VAL 613 CO 0.08 0.19 0.43 0.44 0.02 0.00 0.00 177.57 178.74 1g49 h ASP 614 N 0.20 1.08 -0.32 0.57 3.45 -0.84 -0.16 116.42 120.39 1g49 h ASP 614 Ca 0.07 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 1g49 h ASP 614 Cb 0.23 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1g49 h ASP 614 CO -0.00 0.88 0.03 0.28 -1.57 0.00 0.00 179.24 178.86 1g49 h SER 615 N 1.19 0.53 -0.73 6.45 0.02 -0.79 0.33 113.55 120.54 1g49 h SER 615 Ca 0.29 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1g49 h SER 615 Cb 0.07 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1g49 h SER 615 CO -0.04 0.68 0.48 0.00 -1.14 0.00 0.00 176.83 176.80 1g49 h ALA 616 N 0.87 0.93 -0.28 3.77 0.00 -0.88 0.15 119.26 123.82 1g49 h ALA 616 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1g49 h ALA 616 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1g49 h ALA 616 CO 0.01 0.33 -0.20 0.28 0.00 0.00 0.00 179.25 179.67 1g49 h VAL 617 N 0.97 1.30 -0.64 0.00 2.07 -0.48 -1.72 116.25 117.76 1g49 h VAL 617 Ca 0.27 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1g49 h VAL 617 Cb -0.09 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1g49 h VAL 617 CO -0.07 0.42 0.38 -0.33 0.02 0.00 0.00 177.57 178.00 1g49 h GLU 618 N 0.36 0.72 -0.70 1.57 5.08 -0.06 -1.80 114.58 119.76 1g49 h GLU 618 Ca 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1g49 h GLU 618 Cb 0.75 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1g49 h GLU 618 CO 0.05 0.48 0.46 0.87 -1.00 0.00 0.00 179.01 179.88 1g49 h LYS 619 N 0.74 0.92 -0.71 2.33 6.56 -0.65 -1.17 116.57 124.59 1g49 h LYS 619 Ca 0.26 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.75 1g49 h LYS 619 Cb 0.06 -0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 31.48 1g49 h LYS 619 CO -0.12 0.61 0.24 0.00 -2.06 0.00 0.00 179.45 178.11 1g49 h ALA 620 N 1.26 0.93 -0.36 3.86 0.00 -0.68 -1.63 119.26 122.64 1g49 h ALA 620 Ca 0.26 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1g49 h ALA 620 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1g49 h ALA 620 CO -0.06 0.60 -0.20 -0.07 0.00 0.00 0.00 179.25 179.52 1g49 h LEU 621 N 1.05 0.81 -1.18 0.00 3.38 -1.18 -3.14 115.31 115.04 1g49 h LEU 621 Ca 0.23 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1g49 h LEU 621 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1g49 h LEU 621 CO -0.01 1.05 0.38 0.50 0.09 0.00 0.00 178.44 180.45 1g49 h LYS 622 N 0.57 0.94 -0.89 1.13 3.64 -0.88 -1.24 116.57 119.84 1g49 h LYS 622 Ca 0.08 -0.10 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1g49 h LYS 622 Cb 0.76 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.27 1g49 h LYS 622 CO 0.06 0.69 0.42 0.28 -2.27 0.00 0.00 179.45 178.62 1g49 h VAL 623 N 0.95 0.54 0.06 2.00 2.07 -1.25 -0.00 116.25 120.61 1g49 h VAL 623 Ca 0.24 -0.16 -0.29 0.00 0.82 0.00 0.00 66.70 67.32 1g49 h VAL 623 Cb 0.01 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1g49 h VAL 623 CO -0.04 0.08 -1.50 -0.50 0.02 0.00 0.00 177.57 175.64 1g49 h TRP 624 N 0.46 0.23 -1.00 1.57 4.06 -1.47 -3.31 115.95 116.50 1g49 h TRP 624 Ca 0.54 -0.17 0.07 0.00 2.06 0.00 0.00 58.89 61.40 1g49 h TRP 624 Cb 0.98 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 29.06 1g49 h TRP 624 CO -0.12 1.22 0.64 0.93 -3.56 0.00 0.00 178.44 177.55 1g49 h GLU 625 N 0.03 1.10 0.00 0.49 5.08 -0.70 -2.90 114.58 117.69 1g49 h GLU 625 Ca -0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1g49 h GLU 625 Cb 1.96 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1g49 h GLU 625 CO 0.13 0.73 0.00 0.39 -1.00 0.00 0.00 179.01 179.26 1g49 n GLU 626 N -4.53 0.17 -0.12 2.33 1.02 -0.07 -3.21 120.64 116.23 1g49 n GLU 626 Ca 0.16 0.33 0.04 0.00 -0.02 0.00 0.00 57.16 57.66 1g49 n GLU 626 Cb 0.21 -1.78 0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1g49 n GLU 626 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1g49 n VAL 627 N -2.10 1.18 -4.08 2.62 0.24 -1.11 -4.79 118.33 110.31 1g49 n VAL 627 Ca 0.03 -1.18 -0.14 0.00 -2.04 0.00 0.00 64.34 61.02 1g49 n VAL 627 Cb 0.27 0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 1g49 n VAL 627 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1g49 s THR 628 N -1.31 0.00 -1.74 3.34 -4.23 -1.14 -4.13 115.64 106.43 1g49 s THR 628 Ca 0.17 -1.58 0.29 0.00 -1.18 0.00 0.00 61.69 59.39 1g49 s THR 628 Cb 0.11 -2.61 0.54 0.00 1.34 0.00 0.00 72.50 71.88 1g49 s THR 628 CO 0.08 0.00 1.94 -2.65 -0.54 0.00 0.00 174.62 173.45 1g49 n PRO 629 N -0.54 0.77 -1.93 3.99 -0.02 -1.25 -3.90 135.00 132.11 1g49 n PRO 629 Ca 0.01 -0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 60.86 1g49 n PRO 629 Cb 0.62 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.59 1g49 n PRO 629 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1g49 s LEU 630 N -2.38 4.37 0.18 2.45 1.43 -1.26 -4.85 118.68 118.63 1g49 s LEU 630 Ca 0.33 2.85 0.07 0.00 -1.03 0.00 0.00 54.13 56.34 1g49 s LEU 630 Cb 0.20 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1g49 s LEU 630 CO 0.45 -0.75 -0.14 0.42 0.23 0.00 0.00 176.35 176.56 1g49 s THR 631 N -0.69 1.58 0.05 5.49 -4.23 -0.16 -4.54 115.64 113.14 1g49 s THR 631 Ca 0.55 -2.12 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1g49 s THR 631 Cb -0.44 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1g49 s THR 631 CO 0.53 -0.60 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.49 1g49 s PHE 632 N -2.93 1.42 0.01 3.99 0.40 -1.26 -0.57 117.98 119.04 1g49 s PHE 632 Ca 0.20 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1g49 s PHE 632 Cb -0.01 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 1g49 s PHE 632 CO 0.05 0.07 -0.03 0.45 0.70 0.00 0.00 175.22 176.46 1g49 s SER 633 N -1.32 0.37 -0.03 1.36 0.15 -0.25 -4.94 113.70 109.05 1g49 s SER 633 Ca 0.03 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 1g49 s SER 633 Cb -0.09 -0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.16 1g49 s SER 633 CO 0.02 -0.04 0.44 -0.60 1.20 0.00 0.00 173.24 174.26 1g49 s ARG 634 N -0.43 4.08 0.04 5.44 3.52 -1.26 -0.49 118.95 129.85 1g49 s ARG 634 Ca -0.03 0.45 0.08 0.00 -0.13 0.00 0.00 55.73 56.11 1g49 s ARG 634 Cb -0.03 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1g49 s ARG 634 CO -0.00 0.53 -0.23 -0.51 -0.81 0.00 0.00 175.30 174.27 1g49 s LEU 635 N -0.57 2.33 0.00 -0.88 1.43 0.32 -4.91 118.68 116.40 1g49 s LEU 635 Ca 0.25 -0.53 0.14 0.00 -1.03 0.00 0.00 54.13 52.96 1g49 s LEU 635 Cb -0.16 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 1g49 s LEU 635 CO 0.13 0.26 0.66 -1.22 0.23 0.00 0.00 176.35 176.41 1g49 n TYR 636 N 1.71 0.00 -3.92 0.29 4.02 -1.26 -4.38 117.16 113.62 1g49 n TYR 636 Ca -0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.63 1g49 n TYR 636 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.79 1g49 n TYR 636 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1g49 s GLU 637 N -2.03 1.50 0.15 -0.72 -1.05 -1.26 -5.05 118.70 110.23 1g49 s GLU 637 Ca 0.08 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1g49 s GLU 637 Cb 0.11 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 1g49 s GLU 637 CO 0.46 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.46 1g49 n GLY 638 N -0.36 -2.25 3.56 -3.83 0.00 -1.26 -4.79 105.19 96.26 1g49 n GLY 638 Ca -0.04 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1g49 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g49 s GLU 639 N -0.86 3.66 0.30 1.61 0.41 -1.26 -5.04 118.70 117.53 1g49 s GLU 639 Ca 0.00 -0.22 -0.04 0.00 -0.41 0.00 0.00 54.97 54.30 1g49 s GLU 639 Cb 0.00 -3.78 -0.05 0.00 -1.78 0.00 0.00 34.13 28.52 1g49 s GLU 639 CO 0.00 -0.54 0.56 0.00 -0.49 0.00 0.00 175.26 174.78 1g49 s ALA 640 N 2.20 3.63 0.17 5.21 0.00 -1.26 -5.00 121.76 126.72 1g49 s ALA 640 Ca 0.16 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1g49 s ALA 640 Cb -0.16 -2.27 0.13 0.00 0.00 0.00 0.00 23.12 20.82 1g49 s ALA 640 CO 0.12 0.19 1.73 -0.44 0.00 0.00 0.00 175.76 177.36 1g49 h ASP 641 N 1.52 0.05 -3.42 0.00 3.32 -1.86 -3.36 116.42 112.67 1g49 h ASP 641 Ca -0.48 0.07 -0.71 0.00 0.02 0.00 0.00 57.03 55.93 1g49 h ASP 641 Cb 1.19 0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 1g49 h ASP 641 CO 0.65 0.06 -0.48 -0.63 -1.72 0.00 0.00 179.24 177.12 1g49 s ILE 642 N -6.15 3.79 -0.15 0.35 1.01 -0.51 -4.31 121.20 115.23 1g49 s ILE 642 Ca -0.13 -1.80 -0.18 0.00 0.00 0.00 0.00 60.65 58.55 1g49 s ILE 642 Cb 0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1g49 s ILE 642 CO 0.72 -0.66 0.46 -0.04 0.00 0.00 0.00 174.94 175.43 1g49 s MET 643 N 1.28 4.28 -0.14 2.79 -1.94 -1.26 -1.96 119.30 122.35 1g49 s MET 643 Ca 0.06 0.38 0.01 0.00 -1.71 0.00 0.00 55.69 54.42 1g49 s MET 643 Cb -0.24 -3.48 -0.00 0.00 2.01 0.00 0.00 34.83 33.12 1g49 s MET 643 CO -0.02 0.06 -0.16 0.42 -0.01 0.00 0.00 175.02 175.32 1g49 s ILE 644 N 0.95 2.67 0.10 2.53 1.01 -0.20 -1.33 121.20 126.93 1g49 s ILE 644 Ca 0.24 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1g49 s ILE 644 Cb -0.15 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1g49 s ILE 644 CO 0.09 0.52 0.14 -0.94 0.00 0.00 0.00 174.94 174.76 1g49 s SER 645 N 0.65 0.21 -0.08 3.58 1.04 -0.88 -0.12 113.70 118.10 1g49 s SER 645 Ca -0.08 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 1g49 s SER 645 Cb -0.16 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1g49 s SER 645 CO 0.02 -0.73 0.14 -0.36 0.98 0.00 0.00 173.24 173.29 1g49 s PHE 646 N -3.92 3.54 0.06 5.02 0.40 -1.26 -1.02 117.98 120.81 1g49 s PHE 646 Ca 0.10 0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.81 1g49 s PHE 646 Cb 0.06 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1g49 s PHE 646 CO -0.07 0.68 0.10 0.00 0.70 0.00 0.00 175.22 176.64 1g49 s ALA 647 N -1.12 0.02 -0.05 5.36 0.00 0.53 -4.89 121.76 121.62 1g49 s ALA 647 Ca 0.19 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1g49 s ALA 647 Cb -0.12 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1g49 s ALA 647 CO 0.09 -0.41 -0.15 0.08 0.00 0.00 0.00 175.76 175.37 1g49 s VAL 648 N -3.51 1.28 0.00 0.00 1.01 -1.26 0.35 120.40 118.26 1g49 s VAL 648 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1g49 s VAL 648 Cb 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1g49 s VAL 648 CO -0.09 0.38 0.00 0.54 0.00 0.00 0.00 175.10 175.93 1g49 n ARG 649 N 3.35 0.00 -2.38 2.72 5.12 -1.26 -4.35 116.66 119.87 1g49 n ARG 649 Ca -0.19 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.31 1g49 n ARG 649 Cb 0.53 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.79 1g49 n ARG 649 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1g49 s GLU 650 N 0.00 4.49 0.00 5.56 2.56 -1.26 -0.77 118.70 129.27 1g49 s GLU 650 Ca 0.00 1.87 0.14 0.00 0.00 0.00 0.00 54.97 56.98 1g49 s GLU 650 Cb 0.00 -3.25 0.23 0.00 2.00 0.00 0.00 34.13 33.12 1g49 s GLU 650 CO 0.00 -0.10 1.06 -2.39 -0.56 0.00 0.00 175.26 173.27 1g49 n HIS 651 N 2.59 0.00 -0.67 5.30 1.44 -1.26 -4.99 115.22 117.62 1g49 n HIS 651 Ca 0.05 -0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.38 1g49 n HIS 651 Cb 0.45 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1g49 n HIS 651 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1g49 n GLY 652 N 0.27 0.60 1.53 -1.39 0.00 -1.26 -5.07 105.19 99.88 1g49 n GLY 652 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1g49 n GLY 652 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g49 n ASP 653 N 0.98 1.06 0.06 1.61 5.68 -1.26 -5.04 116.55 119.65 1g49 n ASP 653 Ca 0.00 -1.99 0.11 0.00 -0.50 0.00 0.00 54.79 52.41 1g49 n ASP 653 Cb 0.00 0.47 0.43 0.00 -1.14 0.00 0.00 41.12 40.88 1g49 n ASP 653 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1g49 n PHE 654 N -0.42 0.42 -3.82 2.11 3.01 -1.26 -4.58 117.46 112.92 1g49 n PHE 654 Ca -0.03 0.15 -0.30 0.00 1.01 0.00 0.00 57.45 58.29 1g49 n PHE 654 Cb 0.28 -0.74 -0.14 0.00 -0.01 0.00 0.00 39.48 38.87 1g49 n PHE 654 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1g49 s TYR 655 N -3.13 2.50 0.49 1.38 1.51 -1.26 -5.09 117.35 113.74 1g49 s TYR 655 Ca 0.08 -2.56 -0.24 0.00 -1.01 0.00 0.00 57.07 53.34 1g49 s TYR 655 Cb 0.11 -2.24 -0.07 0.00 -0.11 0.00 0.00 41.96 39.65 1g49 s TYR 655 CO 0.40 -0.82 1.34 -2.30 -1.11 0.00 0.00 175.55 173.06 1g49 n PRO 656 N 3.81 1.90 -1.63 -1.71 -0.02 -1.26 -4.88 135.00 131.22 1g49 n PRO 656 Ca 0.05 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1g49 n PRO 656 Cb 0.37 -2.53 0.14 0.00 -0.02 0.00 0.00 33.50 31.45 1g49 n PRO 656 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1g49 s PHE 657 N -1.24 2.40 -0.23 6.00 2.99 0.05 -4.91 117.98 123.03 1g49 s PHE 657 Ca 0.66 0.76 0.10 0.00 0.00 0.00 0.00 56.93 58.45 1g49 s PHE 657 Cb -0.45 -3.49 0.44 0.00 0.00 0.00 0.00 43.02 39.52 1g49 s PHE 657 CO 0.54 -2.36 1.26 -0.40 -0.00 0.00 0.00 175.22 174.26 1g49 n ASP 658 N -3.73 1.90 -0.46 1.36 5.68 -1.26 -4.21 116.55 115.83 1g49 n ASP 658 Ca 0.08 -3.89 0.01 0.00 -0.50 0.00 0.00 54.79 50.49 1g49 n ASP 658 Cb 0.60 -0.55 -0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1g49 n ASP 658 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g49 n GLY 659 N -1.11 -1.65 3.77 6.12 0.00 -1.26 -4.87 105.19 106.19 1g49 n GLY 659 Ca 0.22 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 1g49 n GLY 659 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1g49 s PRO 660 N -0.16 4.00 0.85 1.61 0.02 -1.26 -4.75 135.00 135.32 1g49 s PRO 660 Ca 0.00 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1g49 s PRO 660 Cb 0.00 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.66 1g49 s PRO 660 CO 0.00 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1g49 n GLY 661 N 0.58 -2.07 7.00 0.52 0.00 -1.26 -4.97 105.19 104.99 1g49 n GLY 661 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1g49 n GLY 661 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g49 n ASN 662 N 0.82 0.00 -4.69 1.61 3.02 -1.26 -4.53 115.26 110.23 1g49 n ASN 662 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1g49 n ASN 662 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1g49 n ASN 662 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1g49 n VAL 663 N 0.00 0.42 -0.06 2.41 0.31 -1.26 -4.87 118.33 115.28 1g49 n VAL 663 Ca 0.00 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.19 1g49 n VAL 663 Cb 0.00 -2.14 -0.15 0.00 -0.91 0.00 0.00 33.84 30.64 1g49 n VAL 663 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1g49 n LEU 664 N 5.90 0.22 -3.65 7.52 4.77 -1.26 -4.74 117.00 125.76 1g49 n LEU 664 Ca 0.18 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1g49 n LEU 664 Cb 0.37 0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1g49 n LEU 664 CO 0.66 0.39 0.89 0.00 -1.33 0.00 0.00 177.39 178.00 1g49 s ALA 665 N -2.67 -1.96 0.09 -1.18 0.00 -1.26 -0.81 121.76 113.97 1g49 s ALA 665 Ca -0.08 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1g49 s ALA 665 Cb 0.08 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1g49 s ALA 665 CO 0.84 -0.95 0.27 -3.38 0.00 0.00 0.00 175.76 172.53 1g49 s HIS 666 N -2.81 0.01 0.11 0.00 -3.43 -0.54 -5.00 115.29 103.63 1g49 s HIS 666 Ca 0.12 -0.36 -0.08 0.00 -0.80 0.00 0.00 55.06 53.94 1g49 s HIS 666 Cb 0.01 0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1g49 s HIS 666 CO -0.02 -0.58 0.19 0.00 -2.00 0.00 0.00 174.74 172.33 1g49 s ALA 667 N -3.62 -0.03 -0.04 -1.38 0.00 -1.26 -0.40 121.76 115.02 1g49 s ALA 667 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1g49 s ALA 667 Cb 0.03 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1g49 s ALA 667 CO -0.10 -0.54 -0.06 0.71 0.00 0.00 0.00 175.76 175.77 1g49 s TYR 668 N -3.91 2.92 0.93 0.00 1.51 -0.68 -4.84 117.35 113.28 1g49 s TYR 668 Ca 0.10 0.00 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1g49 s TYR 668 Cb 0.05 -1.67 0.13 0.00 -0.11 0.00 0.00 41.96 40.36 1g49 s TYR 668 CO -0.07 0.35 1.02 0.00 -1.11 0.00 0.00 175.55 175.74 1g49 n ALA 669 N 1.92 -1.18 -1.61 3.71 0.00 -1.26 -1.13 120.51 120.96 1g49 n ALA 669 Ca -0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1g49 n ALA 669 Cb 0.53 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.86 1g49 n ALA 669 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1g49 n PRO 670 N -3.83 1.40 -3.18 0.00 -0.02 -1.20 -0.27 135.00 127.89 1g49 n PRO 670 Ca 0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1g49 n PRO 670 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1g49 n PRO 670 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g49 n GLY 671 N 1.16 -1.96 3.91 -1.23 0.00 -1.26 -4.69 105.19 101.12 1g49 n GLY 671 Ca 0.09 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1g49 n GLY 671 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g49 s PRO 672 N -1.83 1.80 7.86 1.61 0.04 -1.26 -4.30 135.00 138.92 1g49 s PRO 672 Ca 0.00 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1g49 s PRO 672 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1g49 s PRO 672 CO 0.00 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1g49 n GLY 673 N -3.33 3.62 0.23 0.56 0.00 -1.26 -1.67 105.19 103.33 1g49 n GLY 673 Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1g49 n GLY 673 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1g49 h ILE 674 N 0.00 0.61 -3.94 -0.61 6.09 -1.95 -3.44 117.51 114.28 1g49 h ILE 674 Ca 0.00 -1.00 -0.56 0.00 -1.37 0.00 0.00 64.86 61.93 1g49 h ILE 674 Cb 0.00 1.66 0.15 0.00 0.47 0.00 0.00 36.82 39.10 1g49 h ILE 674 CO 0.00 0.21 0.46 0.59 -3.07 0.00 0.00 178.15 176.35 1g49 n ASN 675 N -3.49 2.04 0.00 2.19 4.13 -0.67 -1.39 115.26 118.06 1g49 n ASN 675 Ca -0.01 0.89 0.00 0.00 1.68 0.00 0.00 54.58 57.14 1g49 n ASN 675 Cb 0.38 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.10 1g49 n ASN 675 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g49 n GLY 676 N 0.94 2.88 3.81 7.41 0.00 0.62 -4.45 105.19 116.40 1g49 n GLY 676 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1g49 n GLY 676 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g49 s ASP 677 N -1.64 5.88 -0.02 1.61 1.11 -0.48 -4.44 116.67 118.69 1g49 s ASP 677 Ca 0.00 1.76 0.02 0.00 0.18 0.00 0.00 52.55 54.51 1g49 s ASP 677 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1g49 s ASP 677 CO 0.00 -1.10 -0.07 0.00 1.18 0.00 0.00 175.17 175.19 1g49 s ALA 678 N -2.54 0.63 -0.03 5.23 0.00 -0.44 -1.69 121.76 122.91 1g49 s ALA 678 Ca 0.62 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1g49 s ALA 678 Cb -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1g49 s ALA 678 CO 0.38 0.11 -0.18 -1.01 0.00 0.00 0.00 175.76 175.06 1g49 s HIS 679 N 0.09 1.72 -0.09 0.00 3.76 0.46 -2.08 115.29 119.16 1g49 s HIS 679 Ca -0.01 -0.40 0.04 0.00 -0.15 0.00 0.00 55.06 54.54 1g49 s HIS 679 Cb -0.06 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 1g49 s HIS 679 CO -0.00 -0.09 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.53 1g49 s PHE 680 N -0.24 2.60 -0.34 1.40 0.40 -0.18 -1.47 117.98 120.14 1g49 s PHE 680 Ca 0.02 -0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 55.34 1g49 s PHE 680 Cb -0.09 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1g49 s PHE 680 CO 0.01 -0.22 1.27 0.34 0.70 0.00 0.00 175.22 177.32 1g49 s ASP 681 N 0.04 6.64 0.00 1.36 -1.08 0.01 -0.34 116.67 123.30 1g49 s ASP 681 Ca -0.08 1.04 0.30 0.00 -0.52 0.00 0.00 52.55 53.28 1g49 s ASP 681 Cb -0.15 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.44 1g49 s ASP 681 CO 0.05 -1.14 2.09 -0.67 0.52 0.00 0.00 175.17 176.02 1g49 n ASP 682 N 7.76 0.00 0.00 -0.34 -0.08 0.15 -1.43 116.55 122.61 1g49 n ASP 682 Ca 0.14 -0.64 0.12 0.00 -1.51 0.00 0.00 54.79 52.91 1g49 n ASP 682 Cb 0.47 -0.11 0.64 0.00 2.34 0.00 0.00 41.12 44.47 1g49 n ASP 682 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1g49 n ASP 683 N -1.11 0.00 -4.93 1.67 8.00 -1.26 -4.67 116.55 114.25 1g49 n ASP 683 Ca 0.19 -0.21 -0.26 0.00 0.71 0.00 0.00 54.79 55.23 1g49 n ASP 683 Cb 0.15 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1g49 n ASP 683 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1g49 s GLU 684 N -2.46 3.53 -0.50 -1.24 0.41 -0.51 -4.02 118.70 113.91 1g49 s GLU 684 Ca 0.26 -0.25 -0.16 0.00 -0.41 0.00 0.00 54.97 54.41 1g49 s GLU 684 Cb 0.17 -2.68 0.08 0.00 -1.78 0.00 0.00 34.13 29.92 1g49 s GLU 684 CO 0.36 0.19 0.47 -1.14 -0.49 0.00 0.00 175.26 174.66 1g49 s GLN 685 N -4.00 3.01 0.05 1.61 2.00 -1.26 -5.01 119.66 116.06 1g49 s GLN 685 Ca 0.41 -1.31 -0.30 0.00 -2.00 0.00 0.00 55.36 52.16 1g49 s GLN 685 Cb -0.10 -4.16 -0.04 0.00 0.80 0.00 0.00 33.01 29.51 1g49 s GLN 685 CO 0.34 -1.14 0.97 -1.58 -0.50 0.00 0.00 175.29 173.37 1g49 s TRP 686 N 1.89 3.73 0.23 1.67 0.52 -1.26 0.12 118.94 125.83 1g49 s TRP 686 Ca 0.06 1.74 0.05 0.00 0.02 0.00 0.00 56.10 57.97 1g49 s TRP 686 Cb -0.24 -3.09 -0.05 0.00 -1.15 0.00 0.00 33.47 28.94 1g49 s TRP 686 CO 0.07 0.09 -0.05 0.95 0.02 0.00 0.00 176.95 178.03 1g49 s THR 687 N 0.56 1.31 -0.25 2.01 -4.23 0.71 -4.61 115.64 111.14 1g49 s THR 687 Ca 0.50 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 59.14 1g49 s THR 687 Cb -0.22 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1g49 s THR 687 CO 0.29 -0.42 1.11 0.50 -0.54 0.00 0.00 174.62 175.56 1g49 h LYS 688 N 2.47 0.00 0.00 3.99 3.64 -1.96 -2.06 116.57 122.66 1g49 h LYS 688 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1g49 h LYS 688 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1g49 h LYS 688 CO 0.65 0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.45 1g49 n ASP 689 N -2.75 0.56 -1.52 4.20 5.68 -1.26 -4.93 116.55 116.54 1g49 n ASP 689 Ca 0.00 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.39 1g49 n ASP 689 Cb 0.56 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.89 1g49 n ASP 689 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1g49 n THR 690 N 0.00 1.71 0.08 2.12 -2.24 -1.26 -4.26 114.28 110.43 1g49 n THR 690 Ca 0.00 -1.18 -0.11 0.00 -2.27 0.00 0.00 64.05 60.48 1g49 n THR 690 Cb 0.00 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1g49 n THR 690 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g49 h THR 691 N 4.04 1.45 0.00 4.28 1.03 -1.96 -3.47 112.91 118.28 1g49 h THR 691 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 66.41 63.84 1g49 h THR 691 Cb 1.38 2.47 0.00 0.00 -1.07 0.00 0.00 68.15 70.92 1g49 h THR 691 CO 0.19 0.76 0.00 0.61 -0.01 0.00 0.00 175.52 177.07 1g49 n GLY 692 N 0.94 1.99 3.51 2.99 0.00 -1.26 -5.07 105.19 108.29 1g49 n GLY 692 Ca -0.05 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1g49 n GLY 692 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g49 s THR 693 N 3.26 4.53 -0.17 2.61 2.01 0.12 -4.88 115.64 123.11 1g49 s THR 693 Ca 0.00 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1g49 s THR 693 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1g49 s THR 693 CO 0.00 0.36 1.56 0.21 -0.69 0.00 0.00 174.62 176.06 1g49 s ASN 694 N 1.28 6.55 0.14 3.53 3.84 -1.26 -0.21 114.94 128.81 1g49 s ASN 694 Ca 0.05 1.76 -0.14 0.00 0.21 0.00 0.00 52.86 54.74 1g49 s ASN 694 Cb -0.15 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1g49 s ASN 694 CO 0.04 -1.09 1.63 0.25 -2.79 0.00 0.00 177.10 175.14 1g49 h LEU 695 N 10.99 0.72 -0.08 3.21 5.85 -1.67 -2.13 115.31 132.19 1g49 h LEU 695 Ca -0.34 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 1g49 h LEU 695 Cb 1.15 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1g49 h LEU 695 CO 0.99 0.79 0.05 0.15 -0.34 0.00 0.00 178.44 180.08 1g49 h PHE 696 N 0.62 0.11 -0.09 1.25 3.57 -1.82 0.26 116.94 120.83 1g49 h PHE 696 Ca 0.14 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1g49 h PHE 696 Cb 0.37 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1g49 h PHE 696 CO 0.03 0.10 0.04 -0.07 -2.23 0.00 0.00 178.31 176.18 1g49 h LEU 697 N 0.09 0.12 -0.84 0.59 3.38 -1.91 0.25 115.31 116.99 1g49 h LEU 697 Ca 0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1g49 h LEU 697 Cb 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1g49 h LEU 697 CO -0.01 0.22 0.11 0.58 0.09 0.00 0.00 178.44 179.43 1g49 h VAL 698 N 0.02 1.25 -0.35 1.22 2.07 -1.29 -1.82 116.25 117.35 1g49 h VAL 698 Ca 0.03 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1g49 h VAL 698 Cb 0.13 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1g49 h VAL 698 CO -0.00 0.36 0.13 0.00 0.02 0.00 0.00 177.57 178.07 1g49 h ALA 699 N 1.19 0.46 -0.71 1.67 0.00 -0.14 0.34 119.26 122.06 1g49 h ALA 699 Ca 0.19 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1g49 h ALA 699 Cb 0.39 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1g49 h ALA 699 CO 0.01 0.07 0.39 0.00 0.00 0.00 0.00 179.25 179.72 1g49 h ALA 700 N 0.97 0.97 -0.13 0.00 0.00 -0.26 0.23 119.26 121.04 1g49 h ALA 700 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1g49 h ALA 700 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1g49 h ALA 700 CO -0.01 0.05 0.04 1.25 0.00 0.00 0.00 179.25 180.58 1g49 h HIS 701 N 0.70 0.20 -0.53 0.00 6.17 -0.84 -1.72 115.15 119.14 1g49 h HIS 701 Ca 0.33 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.39 1g49 h HIS 701 Cb 0.25 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 1g49 h HIS 701 CO -0.08 0.33 0.33 0.93 0.71 0.00 0.00 177.93 180.15 1g49 h GLU 702 N 0.01 0.70 0.00 5.26 4.39 0.28 -1.68 114.58 123.55 1g49 h GLU 702 Ca 0.04 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1g49 h GLU 702 Cb 0.23 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1g49 h GLU 702 CO -0.00 0.49 -0.10 0.82 -1.16 0.00 0.00 179.01 179.06 1g49 h ILE 703 N 0.71 0.90 -0.95 3.13 2.04 -0.45 0.15 117.51 123.05 1g49 h ILE 703 Ca 0.19 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1g49 h ILE 703 Cb -0.04 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1g49 h ILE 703 CO -0.04 0.10 0.58 1.23 0.00 0.00 0.00 178.15 180.02 1g49 h GLY 704 N 0.38 1.37 0.82 5.37 0.00 -0.36 -1.35 103.07 109.30 1g49 h GLY 704 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1g49 h GLY 704 CO 0.01 0.55 0.02 0.45 0.00 0.00 0.00 176.54 177.57 1g49 h HIS 705 N 1.30 0.13 -0.03 5.60 3.86 -0.59 -0.36 115.15 125.06 1g49 h HIS 705 Ca 0.34 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1g49 h HIS 705 Cb -0.07 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1g49 h HIS 705 CO 0.00 0.28 0.29 0.77 0.86 0.00 0.00 177.93 180.14 1g49 h SER 706 N -0.07 0.00 0.03 2.45 0.02 -0.50 -0.88 113.55 114.60 1g49 h SER 706 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1g49 h SER 706 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1g49 h SER 706 CO -0.00 0.00 -0.60 0.18 -1.14 0.00 0.00 176.83 175.27 1g49 n LEU 707 N -3.00 1.62 0.00 5.07 4.77 -0.56 -3.27 117.00 121.63 1g49 n LEU 707 Ca -0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1g49 n LEU 707 Cb 0.35 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1g49 n LEU 707 CO 0.16 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1g49 n GLY 708 N 1.44 0.94 3.72 -0.72 0.00 -0.33 -4.63 105.19 105.61 1g49 n GLY 708 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1g49 n GLY 708 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g49 s LEU 709 N 0.00 4.30 0.00 0.99 1.43 -0.19 -3.77 118.68 121.44 1g49 s LEU 709 Ca 0.00 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1g49 s LEU 709 Cb 0.00 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1g49 s LEU 709 CO 0.00 -0.04 0.00 0.33 0.23 0.00 0.00 176.35 176.87 1g49 n PHE 710 N 3.67 -2.02 -2.48 0.29 7.35 -0.68 -3.48 117.46 120.10 1g49 n PHE 710 Ca -0.05 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.22 1g49 n PHE 710 Cb 0.51 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.31 1g49 n PHE 710 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1g49 s HIS 711 N 1.08 3.47 0.54 -5.13 3.76 -1.26 -4.58 115.29 113.18 1g49 s HIS 711 Ca 0.00 1.38 -0.15 0.00 -0.15 0.00 0.00 55.06 56.14 1g49 s HIS 711 Cb 0.00 -3.36 -0.07 0.00 1.11 0.00 0.00 32.58 30.26 1g49 s HIS 711 CO 0.00 -1.01 0.99 0.45 -0.85 0.00 0.00 174.74 174.32 1g49 s SER 712 N 1.07 6.51 0.09 1.40 0.15 -0.05 -4.24 113.70 118.63 1g49 s SER 712 Ca 0.57 1.52 0.23 0.00 0.70 0.00 0.00 55.95 58.97 1g49 s SER 712 Cb -0.27 -2.49 0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1g49 s SER 712 CO 0.29 -0.66 1.04 0.00 1.20 0.00 0.00 173.24 175.10 1g49 n ALA 713 N -1.89 3.08 -2.62 5.45 0.00 -1.26 -4.47 120.51 118.81 1g49 n ALA 713 Ca 0.06 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 1g49 n ALA 713 Cb 0.54 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1g49 n ALA 713 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1g49 s ASN 714 N -4.33 6.92 0.55 0.00 3.04 -1.26 -4.93 114.94 114.94 1g49 s ASN 714 Ca 0.02 1.11 0.37 0.00 0.04 0.00 0.00 52.86 54.40 1g49 s ASN 714 Cb 0.13 -2.54 1.80 0.00 -1.54 0.00 0.00 41.25 39.10 1g49 s ASN 714 CO 0.79 -0.88 2.10 0.71 -3.04 0.00 0.00 177.10 176.79 1g49 h THR 715 N 5.72 0.00 -0.19 -5.21 1.35 -2.00 -1.72 112.91 110.87 1g49 h THR 715 Ca -0.21 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1g49 h THR 715 Cb 1.06 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1g49 h THR 715 CO 1.03 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.68 1g49 n GLU 716 N -2.92 1.86 -3.31 4.72 -0.58 -1.26 -4.93 120.64 114.22 1g49 n GLU 716 Ca -0.01 -1.28 -0.33 0.00 -0.42 0.00 0.00 57.16 55.11 1g49 n GLU 716 Cb 0.16 -1.42 -0.06 0.00 -0.57 0.00 0.00 31.44 29.56 1g49 n GLU 716 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g49 s ALA 717 N -1.76 3.50 0.29 0.62 0.00 -0.65 -4.57 121.76 119.19 1g49 s ALA 717 Ca 0.33 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1g49 s ALA 717 Cb 0.18 -2.57 0.60 0.00 0.00 0.00 0.00 23.12 21.33 1g49 s ALA 717 CO 0.27 0.44 1.84 1.25 0.00 0.00 0.00 175.76 179.56 1g49 h LEU 718 N 2.82 0.89 0.00 0.00 5.85 -1.92 -1.97 115.31 120.98 1g49 h LEU 718 Ca -0.48 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1g49 h LEU 718 Cb 1.18 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1g49 h LEU 718 CO 0.67 0.46 0.00 0.23 -0.34 0.00 0.00 178.44 179.46 1g49 n MET 719 N -4.61 0.88 -2.67 1.25 2.81 -1.26 -4.79 117.12 108.72 1g49 n MET 719 Ca 0.19 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.66 1g49 n MET 719 Cb 0.38 -1.13 -0.03 0.00 -0.71 0.00 0.00 33.22 31.72 1g49 n MET 719 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1g49 s TYR 720 N -2.00 3.66 0.00 2.03 5.04 -0.74 -0.87 117.35 124.47 1g49 s TYR 720 Ca 0.11 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 1g49 s TYR 720 Cb 0.05 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1g49 s TYR 720 CO 0.09 -0.14 0.64 -0.35 -1.34 0.00 0.00 175.55 174.45 1g49 n PRO 721 N 3.64 0.58 -4.51 4.97 -0.04 -1.26 -4.65 135.00 133.73 1g49 n PRO 721 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1g49 n PRO 721 Cb 0.50 -1.21 -0.17 0.00 -0.04 0.00 0.00 33.50 32.58 1g49 n PRO 721 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g49 s LEU 722 N 0.00 1.79 -0.88 1.53 1.43 -1.26 -5.04 118.68 116.24 1g49 s LEU 722 Ca 0.00 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1g49 s LEU 722 Cb 0.00 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1g49 s LEU 722 CO 0.00 0.03 1.53 -0.47 0.23 0.00 0.00 176.35 177.67 1g49 s TYR 723 N 0.94 2.25 1.07 0.29 5.04 -1.26 -4.97 117.35 120.71 1g49 s TYR 723 Ca -0.07 -0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.22 1g49 s TYR 723 Cb -0.15 -4.51 0.23 0.00 0.35 0.00 0.00 41.96 37.88 1g49 s TYR 723 CO -0.01 -1.98 1.07 -1.01 -1.34 0.00 0.00 175.55 172.27 1g49 s HIS 724 N 6.46 1.51 -0.71 4.97 3.76 -1.26 -4.94 115.29 125.08 1g49 s HIS 724 Ca 0.49 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 1g49 s HIS 724 Cb -0.05 -3.18 0.38 0.00 1.11 0.00 0.00 32.58 30.85 1g49 s HIS 724 CO 0.01 -3.45 1.77 0.43 -0.85 0.00 0.00 174.74 172.66 1g49 n SER 725 N -4.64 6.77 -4.63 1.40 7.64 -1.26 -5.02 113.62 113.87 1g49 n SER 725 Ca 0.06 -3.80 -0.33 0.00 1.01 0.00 0.00 58.87 55.80 1g49 n SER 725 Cb 0.54 -0.88 0.13 0.00 -1.01 0.00 0.00 64.21 62.98 1g49 n SER 725 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1g49 n LEU 726 N -0.58 3.32 -0.00 -3.43 -0.00 -1.26 -5.01 117.00 110.04 1g49 n LEU 726 Ca 0.51 0.53 0.03 0.00 -0.00 0.00 0.00 56.01 57.08 1g49 n LEU 726 Cb 0.41 -1.44 -0.04 0.00 -0.00 0.00 0.00 43.42 42.36 1g49 n LEU 726 CO 0.49 -2.15 -0.40 0.35 -0.00 0.00 0.00 177.39 175.68 1g49 n THR 727 N -3.38 0.00 -4.19 1.96 -2.24 -1.26 -5.03 114.28 100.14 1g49 n THR 727 Ca 0.12 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 1g49 n THR 727 Cb 0.51 0.56 -0.17 0.00 -2.10 0.00 0.00 70.33 69.13 1g49 n THR 727 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g49 s ASP 728 N -2.31 1.85 -0.15 3.42 3.68 -1.26 -4.96 116.67 116.94 1g49 s ASP 728 Ca -0.01 -0.27 0.15 0.00 2.13 0.00 0.00 52.55 54.55 1g49 s ASP 728 Cb 0.04 -0.77 0.68 0.00 -1.45 0.00 0.00 42.92 41.42 1g49 s ASP 728 CO 0.23 -0.06 1.57 0.18 0.13 0.00 0.00 175.17 177.23 1g49 n LEU 729 N 4.41 4.68 -0.03 -1.34 4.77 -1.26 -3.75 117.00 124.48 1g49 n LEU 729 Ca -0.18 -2.37 0.04 0.00 -0.03 0.00 0.00 56.01 53.48 1g49 n LEU 729 Cb 0.51 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1g49 n LEU 729 CO 0.20 0.68 -0.79 0.41 -1.33 0.00 0.00 177.39 176.56 1g49 n THR 730 N 0.82 0.29 -1.68 -5.08 -1.04 -1.26 -4.25 114.28 102.09 1g49 n THR 730 Ca 0.24 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 1g49 n THR 730 Cb 0.93 -0.08 -0.04 0.00 -1.82 0.00 0.00 70.33 69.32 1g49 n THR 730 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1g49 n ARG 731 N -2.24 3.30 -4.03 -2.82 0.63 -1.25 -4.89 116.66 105.37 1g49 n ARG 731 Ca -0.09 -2.76 -0.31 0.00 -0.92 0.00 0.00 57.85 53.77 1g49 n ARG 731 Cb 0.60 -2.34 -0.15 0.00 0.45 0.00 0.00 32.46 31.02 1g49 n ARG 731 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1g49 s PHE 732 N -1.36 2.87 0.08 -0.14 5.36 -1.26 -5.04 117.98 118.49 1g49 s PHE 732 Ca 0.57 -2.02 -0.01 0.00 -0.96 0.00 0.00 56.93 54.51 1g49 s PHE 732 Cb 0.30 -1.79 -0.04 0.00 -0.34 0.00 0.00 43.02 41.15 1g49 s PHE 732 CO -0.16 -0.83 0.01 0.50 -1.46 0.00 0.00 175.22 173.28 1g49 s ARG 733 N 1.24 0.74 0.68 10.12 3.52 -1.26 -5.12 118.95 128.87 1g49 s ARG 733 Ca -0.06 -1.31 -0.17 0.00 -0.13 0.00 0.00 55.73 54.06 1g49 s ARG 733 Cb -0.19 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.43 1g49 s ARG 733 CO -0.06 -0.17 1.23 -0.51 -0.81 0.00 0.00 175.30 174.97 1g49 s LEU 734 N -2.97 3.46 0.84 -0.88 1.43 -1.26 -4.97 118.68 114.32 1g49 s LEU 734 Ca 0.14 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 1g49 s LEU 734 Cb 0.08 -4.60 0.09 0.00 0.03 0.00 0.00 46.19 41.79 1g49 s LEU 734 CO -0.05 -2.04 1.10 -0.94 0.23 0.00 0.00 176.35 174.66 1g49 s SER 735 N -1.79 4.12 0.29 2.29 1.04 -1.26 -4.89 113.70 113.50 1g49 s SER 735 Ca 0.77 1.26 0.04 0.00 0.48 0.00 0.00 55.95 58.50 1g49 s SER 735 Cb -0.31 -1.96 0.46 0.00 0.10 0.00 0.00 66.02 64.31 1g49 s SER 735 CO 0.41 -2.20 1.74 -0.61 0.98 0.00 0.00 173.24 173.56 1g49 h GLN 736 N -1.25 0.40 -0.29 4.02 5.75 -1.94 -1.84 115.11 119.96 1g49 h GLN 736 Ca -0.48 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 57.89 1g49 h GLN 736 Cb 1.28 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1g49 h GLN 736 CO 0.59 0.64 0.11 0.22 -2.65 0.00 0.00 178.83 177.75 1g49 h ASP 737 N 0.35 0.14 -0.87 -0.69 3.58 -1.96 0.39 116.42 117.37 1g49 h ASP 737 Ca 0.05 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1g49 h ASP 737 Cb 0.67 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 1g49 h ASP 737 CO 0.05 0.12 0.56 0.44 -2.88 0.00 0.00 179.24 177.53 1g49 h ASP 738 N 0.25 1.01 -0.15 2.28 3.32 -1.83 -1.73 116.42 119.58 1g49 h ASP 738 Ca 0.13 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1g49 h ASP 738 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1g49 h ASP 738 CO -0.12 0.75 0.03 0.40 -1.72 0.00 0.00 179.24 178.58 1g49 h ILE 739 N 1.19 1.21 -0.57 0.35 2.04 -0.39 -1.62 117.51 119.71 1g49 h ILE 739 Ca 0.32 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1g49 h ILE 739 Cb -0.11 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1g49 h ILE 739 CO -0.07 0.19 0.31 0.78 0.00 0.00 0.00 178.15 179.37 1g49 h ASN 740 N 0.03 0.47 0.18 1.72 2.35 0.07 -0.31 115.58 120.10 1g49 h ASN 740 Ca 0.05 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1g49 h ASN 740 Cb 0.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1g49 h ASN 740 CO 0.00 0.32 -0.09 1.23 -1.65 0.00 0.00 177.43 177.25 1g49 h GLY 741 N 0.60 -0.25 1.87 2.83 0.00 -1.19 0.36 103.07 107.29 1g49 h GLY 741 Ca 0.25 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1g49 h GLY 741 CO -0.15 -0.09 -0.39 1.19 0.00 0.00 0.00 176.54 177.10 1g49 h ILE 742 N -0.27 1.29 0.00 2.60 6.09 -1.05 -2.02 117.51 124.15 1g49 h ILE 742 Ca -0.02 -1.42 -0.08 0.00 -1.37 0.00 0.00 64.86 61.97 1g49 h ILE 742 Cb 0.21 1.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1g49 h ILE 742 CO 0.04 0.42 -0.37 1.56 -3.07 0.00 0.00 178.15 176.73 1g49 h GLN 743 N 0.13 0.00 0.00 2.19 4.20 -0.92 -0.28 115.11 120.43 1g49 h GLN 743 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1g49 h GLN 743 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1g49 h GLN 743 CO 0.06 0.37 -0.14 0.66 -0.67 0.00 0.00 178.83 179.11 1g49 h SER 744 N 0.00 0.00 0.00 1.46 4.64 0.47 0.20 113.55 120.32 1g49 h SER 744 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1g49 h SER 744 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1g49 h SER 744 CO 0.05 0.14 -1.76 0.18 -0.87 0.00 0.00 176.83 174.56 1g49 n LEU 745 N -3.77 1.90 -0.00 5.97 4.32 -0.96 -4.80 117.00 119.66 1g49 n LEU 745 Ca -0.02 0.39 0.02 0.00 -0.02 0.00 0.00 56.01 56.38 1g49 n LEU 745 Cb 0.24 -0.91 -0.03 0.00 -1.62 0.00 0.00 43.42 41.11 1g49 n LEU 745 CO 0.31 0.38 -0.05 -1.22 -1.22 0.00 0.00 177.39 175.59 1g49 n TYR 746 N -4.36 0.00 -0.21 -1.77 4.02 -0.15 -5.09 117.16 109.60 1g49 n TYR 746 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1g49 n TYR 746 Cb 0.76 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1g49 n TYR 746 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g49 n GLY 747 N 1.19 -2.75 3.92 2.72 0.00 0.69 -4.54 105.19 106.42 1g49 n GLY 747 Ca 0.01 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 1g49 n GLY 747 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g49 s PRO 748 N -0.93 2.31 0.25 1.61 0.04 -1.26 -4.19 135.00 132.82 1g49 s PRO 748 Ca 0.00 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1g49 s PRO 748 Cb 0.00 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1g49 s PRO 748 CO 0.00 -1.23 1.45 -2.14 0.04 0.00 0.00 177.00 175.12 1g49 s PRO 749 N -5.30 4.26 0.01 0.56 0.02 -1.25 -3.87 135.00 129.42 1g49 s PRO 749 Ca 0.59 2.32 0.24 0.00 0.02 0.00 0.00 61.00 64.17 1g49 s PRO 749 Cb -0.11 -3.10 1.00 0.00 0.02 0.00 0.00 34.50 32.31 1g49 s PRO 749 CO 0.46 -0.43 1.76 -0.35 -0.33 0.00 0.00 177.00 178.11 1g49 n PRO 750 N 2.33 0.01 -0.39 5.54 -0.04 -1.26 -2.65 135.00 138.54 1g49 n PRO 750 Ca 0.07 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1g49 n PRO 750 Cb 0.40 -1.51 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 1g49 n PRO 750 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1g49 n ASP 751 N -1.53 3.33 -3.94 3.54 5.75 -1.26 -4.91 116.55 117.53 1g49 n ASP 751 Ca 0.06 -2.21 -0.10 0.00 -0.01 0.00 0.00 54.79 52.53 1g49 n ASP 751 Cb 0.28 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.82 1g49 n ASP 751 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1g49 s SER 752 N -0.86 0.16 0.45 -1.12 1.04 -1.09 -5.14 113.70 107.15 1g49 s SER 752 Ca 0.37 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 56.24 1g49 s SER 752 Cb 0.22 0.12 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1g49 s SER 752 CO 0.20 -0.28 0.95 -2.16 0.98 0.00 0.00 173.24 172.93 1g49 s PRO 753 N -1.26 4.11 -0.14 4.02 0.05 -1.26 -4.76 135.00 135.76 1g49 s PRO 753 Ca -0.14 1.02 -0.08 0.00 0.05 0.00 0.00 61.00 61.85 1g49 s PRO 753 Cb -0.08 -2.18 -0.04 0.00 0.05 0.00 0.00 34.50 32.24 1g49 s PRO 753 CO -0.00 -0.10 0.14 -1.21 0.05 0.00 0.00 177.00 175.87 1g49 s GLU 754 N -3.50 3.63 0.00 4.56 0.41 -1.26 -5.11 118.70 117.43 1g49 s GLU 754 Ca 0.60 -0.15 0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1g49 s GLU 754 Cb -0.09 -3.25 0.01 0.00 -1.78 0.00 0.00 34.13 29.02 1g49 s GLU 754 CO 0.20 0.66 0.51 0.25 -0.49 0.00 0.00 175.26 176.39